data_7YRX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7YRX   
BMRB  36503  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7YRX
_pdbx_vrpt_summary.PDB_deposition_date         2022-08-11
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-08-16
_pdbx_vrpt_summary.report_creation_date        2023-08-08:05:19
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  LH3
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  41.13  158937  ?     ?     
2  2  1  60.02   12864  ?     ?     
3  1  2   5.37  154571  ?     ?     
4  2  2  32.91   11451  ?     ?     
5  1  3  39.14  154315  ?     ?     
6  2  3  86.00   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A    3.49  
 2  4  2  A   1  1  A    3.49  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A    3.49  
 6  4  2  A   2  1  A    3.49  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A    3.49  
10  4  2  A   3  1  A    3.49  
11  5  3  A   3  1  A   36.59  
12  6  3  A   3  1  A   36.59  
13  3  2  A   4  1  A    3.49  
14  4  2  A   4  1  A    3.49  
15  5  3  A   4  1  A    6.86  
16  6  3  A   4  1  A    6.86  
17  3  2  A   5  1  A    3.49  
18  4  2  A   5  1  A    3.49  
19  5  3  A   5  1  A   36.59  
20  6  3  A   5  1  A   36.59  
21  3  2  A   6  1  A    3.49  
22  4  2  A   6  1  A    3.49  
23  5  3  A   6  1  A   36.59  
24  6  3  A   6  1  A   36.59  
25  3  2  A   7  1  A    3.49  
26  4  2  A   7  1  A    3.49  
27  5  3  A   7  1  A   36.59  
28  6  3  A   7  1  A   36.59  
29  3  2  A   8  1  A    3.49  
30  4  2  A   8  1  A    3.49  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A    3.49  
34  4  2  A   9  1  A    3.49  
35  5  3  A   9  1  A   36.59  
36  6  3  A   9  1  A   36.59  
37  3  2  A  10  1  A    3.49  
38  4  2  A  10  1  A    3.49  
39  5  3  A  10  1  A    6.86  
40  6  3  A  10  1  A    6.86  
41  3  2  A  11  1  A    3.49  
42  4  2  A  11  1  A    3.49  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A    3.49  
46  4  2  A  12  1  A    3.49  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A    3.49  
50  4  2  A  13  1  A    3.49  
51  5  3  A  13  1  A   36.59  
52  6  3  A  13  1  A   36.59  
53  3  2  A  14  1  A    3.49  
54  4  2  A  14  1  A    3.49  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A    3.49  
58  4  2  A  15  1  A    3.49  
59  5  3  A  15  1  A   36.59  
60  6  3  A  15  1  A   36.59  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.43  0.30  240  326  
 2   2  1  A  A  0.42  0.30  240  326  
 3   3  1  A  A  0.43  0.30  240  326  
 4   4  1  A  A  0.42  0.28  240  326  
 5   5  1  A  A  0.43  0.31  240  326  
 6   6  1  A  A  0.42  0.29  240  326  
 7   7  1  A  A  0.44  0.30  240  326  
 8   8  1  A  A  0.43  0.32  240  326  
 9   9  1  A  A  0.44  0.31  240  326  
10  10  1  A  A  0.43  0.30  240  326  
11  11  1  A  A  0.44  0.32  240  326  
12  12  1  A  A  0.41  0.31  240  326  
13  13  1  A  A  0.43  0.30  240  326  
14  14  1  A  A  0.43  0.29  240  326  
15  15  1  A  A  0.43  0.28  240  326  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              3.85
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.45
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   3.47
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       2.99
_pdbx_vrpt_summary_geometry.clashscore                                 7.43
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.58
_pdbx_vrpt_summary_geometry.num_H_reduce                               3315
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3600
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.30
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            4890
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.43
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            10
_pdbx_vrpt_summary_nmr.medoid_model                             5
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                15
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              5
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              73.18
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  72.82
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  CYS  A   1  .  ?        ?  
  2   1  1  A   2  PRO  A   2  .  ?        ?  
  3   1  1  A   3  ALA  A   3  .  ?        ?  
  4   1  1  A   4  LEU  A   4  .  ?        ?  
  5   1  1  A   5  CYS  A   5  .  ?        1  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  HIS  A   7  .  ?        ?  
  8   1  1  A   8  SER  A   8  .  ?        ?  
  9   1  1  A   9  CYS  A   9  .  ?        1  
 10   1  1  A  10  ARG  A  10  .  ?        ?  
 11   1  1  A  11  SER  A  11  .  ?        ?  
 12   1  1  A  12  LEU  A  12  .  ?        2  
 13   1  1  A  13  LYS  A  13  .  ?        ?  
 14   1  1  A  14  LEU  A  14  .  ?        ?  
 15   1  1  A  15  CYS  A  15  .  ?        1  
 16   1  1  A  16  ASN  A  16  .  ?        ?  
 17   1  1  A  17  ARG  A  17  .  ?        ?  
 18   1  1  A  18  LEU  A  18  .  ?        ?  
 19   1  1  A  19  LEU  A  19  .  ?        2  
 20   1  1  A  20  PRO  A  20  .  ?        ?  
 21   1  1  A  21  THR  A  21  .  ?        ?  
 22   1  1  A  22  ALA  A  22  .  ?        1  
 23   1  1  A  23  CYS  A  23  .  ?        ?  
 24   1  1  A  24  PRO  A  24  .  ?        ?  
 25   1  1  A  25  ASP  A  25  .  ?        ?  
 26   1  1  A  26  VAL  A  26  .  ?        ?  
 27   1  1  A  27  CYS  A  27  .  ?        ?  
 28   1  1  A  28  ASP  A  28  .  ?        ?  
 29   1  1  A  29  ASP  A  29  .  ?        ?  
 30   1  1  A  30  ASP  A  30  .  ?        ?  
 31   1  1  A  31  TRP  A  31  .  ?        ?  
 32   2  1  A   1  CYS  A   1  .  ?        ?  
 33   2  1  A   2  PRO  A   2  .  ?        1  
 34   2  1  A   3  ALA  A   3  .  ?        ?  
 35   2  1  A   4  LEU  A   4  .  ?        ?  
 36   2  1  A   5  CYS  A   5  .  ?        ?  
 37   2  1  A   6  SER  A   6  .  ?        ?  
 38   2  1  A   7  HIS  A   7  .  ?        ?  
 39   2  1  A   8  SER  A   8  .  ?        ?  
 40   2  1  A   9  CYS  A   9  .  ?        ?  
 41   2  1  A  10  ARG  A  10  .  ?        ?  
 42   2  1  A  11  SER  A  11  .  ?        ?  
 43   2  1  A  12  LEU  A  12  .  ?        1  
 44   2  1  A  13  LYS  A  13  .  ?        ?  
 45   2  1  A  14  LEU  A  14  .  ?        ?  
 46   2  1  A  15  CYS  A  15  .  ?        1  
 47   2  1  A  16  ASN  A  16  .  ?        ?  
 48   2  1  A  17  ARG  A  17  .  ?        ?  
 49   2  1  A  18  LEU  A  18  .  ?        ?  
 50   2  1  A  19  LEU  A  19  .  ?        1  
 51   2  1  A  20  PRO  A  20  .  ?        ?  
 52   2  1  A  21  THR  A  21  .  ?        ?  
 53   2  1  A  22  ALA  A  22  .  ?        1  
 54   2  1  A  23  CYS  A  23  .  ?        1  
 55   2  1  A  24  PRO  A  24  .  ?        ?  
 56   2  1  A  25  ASP  A  25  .  ?        ?  
 57   2  1  A  26  VAL  A  26  .  ?        ?  
 58   2  1  A  27  CYS  A  27  .  ?        ?  
 59   2  1  A  28  ASP  A  28  .  ?        ?  
 60   2  1  A  29  ASP  A  29  .  ?        ?  
 61   2  1  A  30  ASP  A  30  .  ?        ?  
 62   2  1  A  31  TRP  A  31  .  ?        ?  
 63   3  1  A   1  CYS  A   1  .  ?        ?  
 64   3  1  A   2  PRO  A   2  .  ?        ?  
 65   3  1  A   3  ALA  A   3  .  ?        ?  
 66   3  1  A   4  LEU  A   4  .  ?        ?  
 67   3  1  A   5  CYS  A   5  .  ?        1  
 68   3  1  A   6  SER  A   6  .  ?        ?  
 69   3  1  A   7  HIS  A   7  .  ?        ?  
 70   3  1  A   8  SER  A   8  .  ?        ?  
 71   3  1  A   9  CYS  A   9  .  ?        1  
 72   3  1  A  10  ARG  A  10  .  ?        ?  
 73   3  1  A  11  SER  A  11  .  ?        ?  
 74   3  1  A  12  LEU  A  12  .  ?        2  
 75   3  1  A  13  LYS  A  13  .  ?        ?  
 76   3  1  A  14  LEU  A  14  .  ?        ?  
 77   3  1  A  15  CYS  A  15  .  ?        ?  
 78   3  1  A  16  ASN  A  16  .  ?        ?  
 79   3  1  A  17  ARG  A  17  .  ?        ?  
 80   3  1  A  18  LEU  A  18  .  ?        ?  
 81   3  1  A  19  LEU  A  19  .  ?        ?  
 82   3  1  A  20  PRO  A  20  .  ?        ?  
 83   3  1  A  21  THR  A  21  .  ?        ?  
 84   3  1  A  22  ALA  A  22  .  ?        ?  
 85   3  1  A  23  CYS  A  23  .  ?        ?  
 86   3  1  A  24  PRO  A  24  .  ?        ?  
 87   3  1  A  25  ASP  A  25  .  ?        ?  
 88   3  1  A  26  VAL  A  26  .  ?        ?  
 89   3  1  A  27  CYS  A  27  .  ?        ?  
 90   3  1  A  28  ASP  A  28  .  ?        ?  
 91   3  1  A  29  ASP  A  29  .  ?        ?  
 92   3  1  A  30  ASP  A  30  .  ?        ?  
 93   3  1  A  31  TRP  A  31  .  ?        ?  
 94   4  1  A   1  CYS  A   1  .  ?        ?  
 95   4  1  A   2  PRO  A   2  .  ?        1  
 96   4  1  A   3  ALA  A   3  .  ?        ?  
 97   4  1  A   4  LEU  A   4  .  ?        ?  
 98   4  1  A   5  CYS  A   5  .  ?        ?  
 99   4  1  A   6  SER  A   6  .  ?        ?  
100   4  1  A   7  HIS  A   7  .  ?        ?  
101   4  1  A   8  SER  A   8  .  ?        ?  
102   4  1  A   9  CYS  A   9  .  ?        2  
103   4  1  A  10  ARG  A  10  .  ?        ?  
104   4  1  A  11  SER  A  11  .  ?        ?  
105   4  1  A  12  LEU  A  12  .  ?        2  
106   4  1  A  13  LYS  A  13  .  ?        ?  
107   4  1  A  14  LEU  A  14  .  ?        ?  
108   4  1  A  15  CYS  A  15  .  ?        ?  
109   4  1  A  16  ASN  A  16  .  ?        ?  
110   4  1  A  17  ARG  A  17  .  ?        ?  
111   4  1  A  18  LEU  A  18  .  ?        ?  
112   4  1  A  19  LEU  A  19  .  ?        ?  
113   4  1  A  20  PRO  A  20  .  ?        ?  
114   4  1  A  21  THR  A  21  .  ?        ?  
115   4  1  A  22  ALA  A  22  .  ?        ?  
116   4  1  A  23  CYS  A  23  .  ?        1  
117   4  1  A  24  PRO  A  24  .  ?        ?  
118   4  1  A  25  ASP  A  25  .  ?        ?  
119   4  1  A  26  VAL  A  26  .  ?        ?  
120   4  1  A  27  CYS  A  27  .  ?        ?  
121   4  1  A  28  ASP  A  28  .  ?        ?  
122   4  1  A  29  ASP  A  29  .  ?        ?  
123   4  1  A  30  ASP  A  30  .  ?        ?  
124   4  1  A  31  TRP  A  31  .  ?        ?  
125   5  1  A   1  CYS  A   1  .  ?        ?  
126   5  1  A   2  PRO  A   2  .  ?        1  
127   5  1  A   3  ALA  A   3  .  ?        ?  
128   5  1  A   4  LEU  A   4  .  ?        ?  
129   5  1  A   5  CYS  A   5  .  ?        1  
130   5  1  A   6  SER  A   6  .  ?        ?  
131   5  1  A   7  HIS  A   7  .  ?        ?  
132   5  1  A   8  SER  A   8  .  ?        ?  
133   5  1  A   9  CYS  A   9  .  ?        ?  
134   5  1  A  10  ARG  A  10  .  ?        ?  
135   5  1  A  11  SER  A  11  .  ?        ?  
136   5  1  A  12  LEU  A  12  .  ?        2  
137   5  1  A  13  LYS  A  13  .  ?        ?  
138   5  1  A  14  LEU  A  14  .  ?        ?  
139   5  1  A  15  CYS  A  15  .  ?        1  
140   5  1  A  16  ASN  A  16  .  ?        ?  
141   5  1  A  17  ARG  A  17  .  ?        ?  
142   5  1  A  18  LEU  A  18  .  ?        ?  
143   5  1  A  19  LEU  A  19  .  ?        ?  
144   5  1  A  20  PRO  A  20  .  ?        ?  
145   5  1  A  21  THR  A  21  .  ?        ?  
146   5  1  A  22  ALA  A  22  .  ?        ?  
147   5  1  A  23  CYS  A  23  .  ?        1  
148   5  1  A  24  PRO  A  24  .  ?        ?  
149   5  1  A  25  ASP  A  25  .  ?        ?  
150   5  1  A  26  VAL  A  26  .  ?        ?  
151   5  1  A  27  CYS  A  27  .  ?        ?  
152   5  1  A  28  ASP  A  28  .  ?        ?  
153   5  1  A  29  ASP  A  29  .  ?        ?  
154   5  1  A  30  ASP  A  30  .  ?        ?  
155   5  1  A  31  TRP  A  31  .  ?        ?  
156   6  1  A   1  CYS  A   1  .  ?        ?  
157   6  1  A   2  PRO  A   2  .  ?        1  
158   6  1  A   3  ALA  A   3  .  ?        ?  
159   6  1  A   4  LEU  A   4  .  ?        ?  
160   6  1  A   5  CYS  A   5  .  ?        ?  
161   6  1  A   6  SER  A   6  .  ?        ?  
162   6  1  A   7  HIS  A   7  .  ?        ?  
163   6  1  A   8  SER  A   8  .  ?        ?  
164   6  1  A   9  CYS  A   9  .  ?        2  
165   6  1  A  10  ARG  A  10  .  ?        ?  
166   6  1  A  11  SER  A  11  .  ?        ?  
167   6  1  A  12  LEU  A  12  .  ?        2  
168   6  1  A  13  LYS  A  13  .  ?        ?  
169   6  1  A  14  LEU  A  14  .  ?        ?  
170   6  1  A  15  CYS  A  15  .  ?        ?  
171   6  1  A  16  ASN  A  16  .  ?        ?  
172   6  1  A  17  ARG  A  17  .  ?        ?  
173   6  1  A  18  LEU  A  18  .  ?        ?  
174   6  1  A  19  LEU  A  19  .  ?        ?  
175   6  1  A  20  PRO  A  20  .  ?        ?  
176   6  1  A  21  THR  A  21  .  ?        ?  
177   6  1  A  22  ALA  A  22  .  ?        ?  
178   6  1  A  23  CYS  A  23  .  ?        1  
179   6  1  A  24  PRO  A  24  .  ?        ?  
180   6  1  A  25  ASP  A  25  .  ?        ?  
181   6  1  A  26  VAL  A  26  .  ?        ?  
182   6  1  A  27  CYS  A  27  .  ?        ?  
183   6  1  A  28  ASP  A  28  .  ?        ?  
184   6  1  A  29  ASP  A  29  .  ?        ?  
185   6  1  A  30  ASP  A  30  .  ?        ?  
186   6  1  A  31  TRP  A  31  .  ?        ?  
187   7  1  A   1  CYS  A   1  .  ?        ?  
188   7  1  A   2  PRO  A   2  .  ?        ?  
189   7  1  A   3  ALA  A   3  .  ?        ?  
190   7  1  A   4  LEU  A   4  .  ?        ?  
191   7  1  A   5  CYS  A   5  .  ?        1  
192   7  1  A   6  SER  A   6  .  ?        ?  
193   7  1  A   7  HIS  A   7  .  ?        ?  
194   7  1  A   8  SER  A   8  .  ?        ?  
195   7  1  A   9  CYS  A   9  .  ?        ?  
196   7  1  A  10  ARG  A  10  .  ?        ?  
197   7  1  A  11  SER  A  11  .  ?        ?  
198   7  1  A  12  LEU  A  12  .  ?        2  
199   7  1  A  13  LYS  A  13  .  ?        ?  
200   7  1  A  14  LEU  A  14  .  ?        ?  
201   7  1  A  15  CYS  A  15  .  ?        ?  
202   7  1  A  16  ASN  A  16  .  ?        ?  
203   7  1  A  17  ARG  A  17  .  ?        ?  
204   7  1  A  18  LEU  A  18  .  ?        ?  
205   7  1  A  19  LEU  A  19  .  ?        ?  
206   7  1  A  20  PRO  A  20  .  ?        ?  
207   7  1  A  21  THR  A  21  .  ?        ?  
208   7  1  A  22  ALA  A  22  .  ?        ?  
209   7  1  A  23  CYS  A  23  .  ?        1  
210   7  1  A  24  PRO  A  24  .  ?        ?  
211   7  1  A  25  ASP  A  25  .  ?        ?  
212   7  1  A  26  VAL  A  26  .  ?        ?  
213   7  1  A  27  CYS  A  27  .  ?        ?  
214   7  1  A  28  ASP  A  28  .  ?        ?  
215   7  1  A  29  ASP  A  29  .  ?        ?  
216   7  1  A  30  ASP  A  30  .  ?        ?  
217   7  1  A  31  TRP  A  31  .  ?        ?  
218   8  1  A   1  CYS  A   1  .  ?        ?  
219   8  1  A   2  PRO  A   2  .  ?        1  
220   8  1  A   3  ALA  A   3  .  ?        1  
221   8  1  A   4  LEU  A   4  .  ?        ?  
222   8  1  A   5  CYS  A   5  .  ?        1  
223   8  1  A   6  SER  A   6  .  ?        1  
224   8  1  A   7  HIS  A   7  .  ?        ?  
225   8  1  A   8  SER  A   8  .  ?        ?  
226   8  1  A   9  CYS  A   9  .  ?        1  
227   8  1  A  10  ARG  A  10  .  ?        ?  
228   8  1  A  11  SER  A  11  .  ?        ?  
229   8  1  A  12  LEU  A  12  .  ?        2  
230   8  1  A  13  LYS  A  13  .  ?        ?  
231   8  1  A  14  LEU  A  14  .  ?        ?  
232   8  1  A  15  CYS  A  15  .  ?        1  
233   8  1  A  16  ASN  A  16  .  ?        ?  
234   8  1  A  17  ARG  A  17  .  ?        ?  
235   8  1  A  18  LEU  A  18  .  ?        ?  
236   8  1  A  19  LEU  A  19  .  ?        2  
237   8  1  A  20  PRO  A  20  .  ?        ?  
238   8  1  A  21  THR  A  21  .  ?        ?  
239   8  1  A  22  ALA  A  22  .  ?        1  
240   8  1  A  23  CYS  A  23  .  ?        1  
241   8  1  A  24  PRO  A  24  .  ?        ?  
242   8  1  A  25  ASP  A  25  .  ?        ?  
243   8  1  A  26  VAL  A  26  .  ?        ?  
244   8  1  A  27  CYS  A  27  .  ?        1  
245   8  1  A  28  ASP  A  28  .  ?        ?  
246   8  1  A  29  ASP  A  29  .  ?        1  
247   8  1  A  30  ASP  A  30  .  ?        ?  
248   8  1  A  31  TRP  A  31  .  ?        ?  
249   9  1  A   1  CYS  A   1  .  ?        ?  
250   9  1  A   2  PRO  A   2  .  ?        1  
251   9  1  A   3  ALA  A   3  .  ?        ?  
252   9  1  A   4  LEU  A   4  .  ?        ?  
253   9  1  A   5  CYS  A   5  .  ?        ?  
254   9  1  A   6  SER  A   6  .  ?        ?  
255   9  1  A   7  HIS  A   7  .  ?        ?  
256   9  1  A   8  SER  A   8  .  ?        ?  
257   9  1  A   9  CYS  A   9  .  ?        1  
258   9  1  A  10  ARG  A  10  .  ?        ?  
259   9  1  A  11  SER  A  11  .  ?        ?  
260   9  1  A  12  LEU  A  12  .  ?        1  
261   9  1  A  13  LYS  A  13  .  ?        ?  
262   9  1  A  14  LEU  A  14  .  ?        ?  
263   9  1  A  15  CYS  A  15  .  ?        1  
264   9  1  A  16  ASN  A  16  .  ?        ?  
265   9  1  A  17  ARG  A  17  .  ?        ?  
266   9  1  A  18  LEU  A  18  .  ?        ?  
267   9  1  A  19  LEU  A  19  .  ?        1  
268   9  1  A  20  PRO  A  20  .  ?        ?  
269   9  1  A  21  THR  A  21  .  ?        ?  
270   9  1  A  22  ALA  A  22  .  ?        ?  
271   9  1  A  23  CYS  A  23  .  ?        1  
272   9  1  A  24  PRO  A  24  .  ?        ?  
273   9  1  A  25  ASP  A  25  .  ?        ?  
274   9  1  A  26  VAL  A  26  .  ?        ?  
275   9  1  A  27  CYS  A  27  .  ?        ?  
276   9  1  A  28  ASP  A  28  .  ?        ?  
277   9  1  A  29  ASP  A  29  .  ?        ?  
278   9  1  A  30  ASP  A  30  .  ?        ?  
279   9  1  A  31  TRP  A  31  .  ?        ?  
280  10  1  A   1  CYS  A   1  .  ?        ?  
281  10  1  A   2  PRO  A   2  .  ?        1  
282  10  1  A   3  ALA  A   3  .  ?        ?  
283  10  1  A   4  LEU  A   4  .  ?        ?  
284  10  1  A   5  CYS  A   5  .  ?        2  
285  10  1  A   6  SER  A   6  .  ?        ?  
286  10  1  A   7  HIS  A   7  .  ?        ?  
287  10  1  A   8  SER  A   8  .  ?        1  
288  10  1  A   9  CYS  A   9  .  ?        ?  
289  10  1  A  10  ARG  A  10  .  ?        ?  
290  10  1  A  11  SER  A  11  .  ?        ?  
291  10  1  A  12  LEU  A  12  .  ?        1  
292  10  1  A  13  LYS  A  13  .  ?        ?  
293  10  1  A  14  LEU  A  14  .  ?        ?  
294  10  1  A  15  CYS  A  15  .  ?        ?  
295  10  1  A  16  ASN  A  16  .  ?        ?  
296  10  1  A  17  ARG  A  17  .  ?        ?  
297  10  1  A  18  LEU  A  18  .  ?        ?  
298  10  1  A  19  LEU  A  19  .  ?        ?  
299  10  1  A  20  PRO  A  20  .  ?        ?  
300  10  1  A  21  THR  A  21  .  ?        ?  
301  10  1  A  22  ALA  A  22  .  ?        ?  
302  10  1  A  23  CYS  A  23  .  ?        1  
303  10  1  A  24  PRO  A  24  .  ?        ?  
304  10  1  A  25  ASP  A  25  .  ?        ?  
305  10  1  A  26  VAL  A  26  .  ?        ?  
306  10  1  A  27  CYS  A  27  .  ?        ?  
307  10  1  A  28  ASP  A  28  .  ?        ?  
308  10  1  A  29  ASP  A  29  .  ?        ?  
309  10  1  A  30  ASP  A  30  .  ?        ?  
310  10  1  A  31  TRP  A  31  .  ?        ?  
311  11  1  A   1  CYS  A   1  .  ?        ?  
312  11  1  A   2  PRO  A   2  .  ?        1  
313  11  1  A   3  ALA  A   3  .  ?        ?  
314  11  1  A   4  LEU  A   4  .  ?        ?  
315  11  1  A   5  CYS  A   5  .  ?        ?  
316  11  1  A   6  SER  A   6  .  ?        ?  
317  11  1  A   7  HIS  A   7  .  ?        ?  
318  11  1  A   8  SER  A   8  .  ?        1  
319  11  1  A   9  CYS  A   9  .  ?        ?  
320  11  1  A  10  ARG  A  10  .  ?        ?  
321  11  1  A  11  SER  A  11  .  ?        1  
322  11  1  A  12  LEU  A  12  .  ?        ?  
323  11  1  A  13  LYS  A  13  .  ?        ?  
324  11  1  A  14  LEU  A  14  .  ?        ?  
325  11  1  A  15  CYS  A  15  .  ?        1  
326  11  1  A  16  ASN  A  16  .  ?        ?  
327  11  1  A  17  ARG  A  17  .  ?        ?  
328  11  1  A  18  LEU  A  18  .  ?        ?  
329  11  1  A  19  LEU  A  19  .  ?        2  
330  11  1  A  20  PRO  A  20  .  ?        ?  
331  11  1  A  21  THR  A  21  .  ?        ?  
332  11  1  A  22  ALA  A  22  .  ?        1  
333  11  1  A  23  CYS  A  23  .  ?        1  
334  11  1  A  24  PRO  A  24  .  ?        ?  
335  11  1  A  25  ASP  A  25  .  ?        ?  
336  11  1  A  26  VAL  A  26  .  ?        ?  
337  11  1  A  27  CYS  A  27  .  ?        ?  
338  11  1  A  28  ASP  A  28  .  ?        ?  
339  11  1  A  29  ASP  A  29  .  ?        ?  
340  11  1  A  30  ASP  A  30  .  ?        ?  
341  11  1  A  31  TRP  A  31  .  ?        ?  
342  12  1  A   1  CYS  A   1  .  ?        ?  
343  12  1  A   2  PRO  A   2  .  ?        1  
344  12  1  A   3  ALA  A   3  .  ?        ?  
345  12  1  A   4  LEU  A   4  .  ?        ?  
346  12  1  A   5  CYS  A   5  .  ?        1  
347  12  1  A   6  SER  A   6  .  ?        ?  
348  12  1  A   7  HIS  A   7  .  ?        ?  
349  12  1  A   8  SER  A   8  .  ?        ?  
350  12  1  A   9  CYS  A   9  .  ?        ?  
351  12  1  A  10  ARG  A  10  .  ?        ?  
352  12  1  A  11  SER  A  11  .  ?        ?  
353  12  1  A  12  LEU  A  12  .  ?        1  
354  12  1  A  13  LYS  A  13  .  ?        ?  
355  12  1  A  14  LEU  A  14  .  ?        ?  
356  12  1  A  15  CYS  A  15  .  ?        1  
357  12  1  A  16  ASN  A  16  .  ?        ?  
358  12  1  A  17  ARG  A  17  .  ?        ?  
359  12  1  A  18  LEU  A  18  .  ?        ?  
360  12  1  A  19  LEU  A  19  .  ?        1  
361  12  1  A  20  PRO  A  20  .  ?        ?  
362  12  1  A  21  THR  A  21  .  ?        ?  
363  12  1  A  22  ALA  A  22  .  ?        ?  
364  12  1  A  23  CYS  A  23  .  ?        1  
365  12  1  A  24  PRO  A  24  .  ?        ?  
366  12  1  A  25  ASP  A  25  .  ?        ?  
367  12  1  A  26  VAL  A  26  .  ?        ?  
368  12  1  A  27  CYS  A  27  .  ?        ?  
369  12  1  A  28  ASP  A  28  .  ?        ?  
370  12  1  A  29  ASP  A  29  .  ?        ?  
371  12  1  A  30  ASP  A  30  .  ?        ?  
372  12  1  A  31  TRP  A  31  .  ?        ?  
373  13  1  A   1  CYS  A   1  .  ?        ?  
374  13  1  A   2  PRO  A   2  .  ?        ?  
375  13  1  A   3  ALA  A   3  .  ?        ?  
376  13  1  A   4  LEU  A   4  .  ?        ?  
377  13  1  A   5  CYS  A   5  .  ?        ?  
378  13  1  A   6  SER  A   6  .  ?        ?  
379  13  1  A   7  HIS  A   7  .  ?        ?  
380  13  1  A   8  SER  A   8  .  ?        ?  
381  13  1  A   9  CYS  A   9  .  ?        1  
382  13  1  A  10  ARG  A  10  .  ?        ?  
383  13  1  A  11  SER  A  11  .  ?        ?  
384  13  1  A  12  LEU  A  12  .  ?        1  
385  13  1  A  13  LYS  A  13  .  ?        ?  
386  13  1  A  14  LEU  A  14  .  ?        ?  
387  13  1  A  15  CYS  A  15  .  ?        ?  
388  13  1  A  16  ASN  A  16  .  ?        ?  
389  13  1  A  17  ARG  A  17  .  ?        ?  
390  13  1  A  18  LEU  A  18  .  ?        ?  
391  13  1  A  19  LEU  A  19  .  ?        ?  
392  13  1  A  20  PRO  A  20  .  ?        ?  
393  13  1  A  21  THR  A  21  .  ?        ?  
394  13  1  A  22  ALA  A  22  .  ?        ?  
395  13  1  A  23  CYS  A  23  .  ?        ?  
396  13  1  A  24  PRO  A  24  .  ?        ?  
397  13  1  A  25  ASP  A  25  .  ?        ?  
398  13  1  A  26  VAL  A  26  .  ?        ?  
399  13  1  A  27  CYS  A  27  .  ?        ?  
400  13  1  A  28  ASP  A  28  .  ?        ?  
401  13  1  A  29  ASP  A  29  .  ?        ?  
402  13  1  A  30  ASP  A  30  .  ?        ?  
403  13  1  A  31  TRP  A  31  .  ?        ?  
404  14  1  A   1  CYS  A   1  .  ?        ?  
405  14  1  A   2  PRO  A   2  .  ?        1  
406  14  1  A   3  ALA  A   3  .  ?        ?  
407  14  1  A   4  LEU  A   4  .  ?        ?  
408  14  1  A   5  CYS  A   5  .  ?        ?  
409  14  1  A   6  SER  A   6  .  ?        ?  
410  14  1  A   7  HIS  A   7  .  ?        ?  
411  14  1  A   8  SER  A   8  .  ?        ?  
412  14  1  A   9  CYS  A   9  .  ?        ?  
413  14  1  A  10  ARG  A  10  .  ?        ?  
414  14  1  A  11  SER  A  11  .  ?        ?  
415  14  1  A  12  LEU  A  12  .  ?        ?  
416  14  1  A  13  LYS  A  13  .  ?        ?  
417  14  1  A  14  LEU  A  14  .  ?        ?  
418  14  1  A  15  CYS  A  15  .  ?        ?  
419  14  1  A  16  ASN  A  16  .  ?        ?  
420  14  1  A  17  ARG  A  17  .  ?        ?  
421  14  1  A  18  LEU  A  18  .  ?        ?  
422  14  1  A  19  LEU  A  19  .  ?        1  
423  14  1  A  20  PRO  A  20  .  ?        ?  
424  14  1  A  21  THR  A  21  .  ?        ?  
425  14  1  A  22  ALA  A  22  .  ?        1  
426  14  1  A  23  CYS  A  23  .  ?        1  
427  14  1  A  24  PRO  A  24  .  ?        ?  
428  14  1  A  25  ASP  A  25  .  ?        ?  
429  14  1  A  26  VAL  A  26  .  ?        ?  
430  14  1  A  27  CYS  A  27  .  ?        ?  
431  14  1  A  28  ASP  A  28  .  ?        ?  
432  14  1  A  29  ASP  A  29  .  ?        ?  
433  14  1  A  30  ASP  A  30  .  ?        ?  
434  14  1  A  31  TRP  A  31  .  ?        ?  
435  15  1  A   1  CYS  A   1  .  ?        ?  
436  15  1  A   2  PRO  A   2  .  ?        ?  
437  15  1  A   3  ALA  A   3  .  ?        ?  
438  15  1  A   4  LEU  A   4  .  ?        ?  
439  15  1  A   5  CYS  A   5  .  ?        ?  
440  15  1  A   6  SER  A   6  .  ?        ?  
441  15  1  A   7  HIS  A   7  .  ?        ?  
442  15  1  A   8  SER  A   8  .  ?        ?  
443  15  1  A   9  CYS  A   9  .  ?        1  
444  15  1  A  10  ARG  A  10  .  ?        ?  
445  15  1  A  11  SER  A  11  .  ?        ?  
446  15  1  A  12  LEU  A  12  .  ?        1  
447  15  1  A  13  LYS  A  13  .  ?        ?  
448  15  1  A  14  LEU  A  14  .  ?        ?  
449  15  1  A  15  CYS  A  15  .  ?        1  
450  15  1  A  16  ASN  A  16  .  ?        ?  
451  15  1  A  17  ARG  A  17  .  ?        ?  
452  15  1  A  18  LEU  A  18  .  ?        ?  
453  15  1  A  19  LEU  A  19  .  ?        1  
454  15  1  A  20  PRO  A  20  .  ?        ?  
455  15  1  A  21  THR  A  21  .  ?        ?  
456  15  1  A  22  ALA  A  22  .  ?        ?  
457  15  1  A  23  CYS  A  23  .  ?        ?  
458  15  1  A  24  PRO  A  24  .  ?        ?  
459  15  1  A  25  ASP  A  25  .  ?        ?  
460  15  1  A  26  VAL  A  26  .  ?        ?  
461  15  1  A  27  CYS  A  27  .  ?        ?  
462  15  1  A  28  ASP  A  28  .  ?        ?  
463  15  1  A  29  ASP  A  29  .  ?        ?  
464  15  1  A  30  ASP  A  30  .  ?        ?  
465  15  1  A  31  TRP  A  31  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  t             ?      ?  ?         6   6  0.48   9  0.51  molprobity     1  True   
  2    2  Cg_exo    -52.6  130.8  Favored   7   8  0.21  11  0.33  molprobity     1  True   
  3    3  ?         -59.0  -32.3  Favored   5   5  0.15   7  0.33  molprobity     1  True   
  4    4  mt        -61.6  -37.1  Favored  11   8  0.29  11  0.50  molprobity     1  True   
  5    5  t         -79.5  -41.4  Favored   4   6  0.26   8  0.18  molprobity     1  True   
  6    6  t         -60.5  -30.0  Favored   5   6  0.27   8  0.23  molprobity     1  True   
  7    7  t60       -77.7  -13.9  Favored   7  11  0.32  15  0.34  molprobity     1  True   
  8    8  p        -107.7   36.6  Favored   5   6  0.22   8  0.59  molprobity     1  True   
  9    9  t         -37.8  -28.4  OUTLIER   4   6  0.62   8  0.71  molprobity     1  True   
 10   10  mtt85     -66.8  -49.3  Favored  13  11  0.34  14  0.58  molprobity     1  True   
 11   11  m         -57.4  -18.0  Favored   5   6  0.25   8  0.63  molprobity     1  True   
 12   12  mm?       -60.1  -21.5  Favored  11   8  0.37  11  0.41  molprobity     1  True   
 13   13  mmmm      -64.5  -37.9  Favored  13   9  0.28  11  0.29  molprobity     1  True   
 14   14  tp        -87.8  -43.7  Favored  11   8  0.21  11  0.32  molprobity     1  True   
 15   15  t         -56.9  -42.0  Favored   4   6  0.27   8  0.33  molprobity     1  True   
 16   16  t-20      -61.1  -14.6  Favored   6   8  0.37  11  0.36  molprobity     1  True   
 17   17  mtt180    -86.3  -37.9  Favored  13  11  0.26  14  0.45  molprobity     1  True   
 18   18  mt        -84.3  -20.3  Favored  11   8  0.27  11  0.53  molprobity     1  True   
 19   19  mt       -131.7   66.1  Favored  11   8  0.20  12  0.52  molprobity     1  True   
 20   20  Cg_endo   -71.3  -46.4  Allowed   7   8  0.22  11  0.27  molprobity     1  True   
 21   21  p         -89.0  -25.3  Favored   7   7  0.34  10  0.56  molprobity     1  True   
 22   22  ?         -73.3  -42.1  Favored   5   5  0.32   7  0.24  molprobity     1  True   
 23   23  t        -122.0   79.1  Favored   4   6  0.19   9  0.49  molprobity     1  True   
 24   24  Cg_exo    -81.0   -9.5  Favored   7   8  0.35  11  0.60  molprobity     1  True   
 25   25  t70       -84.8   45.5  Allowed   4   8  0.25  11  0.45  molprobity     1  True   
 26   26  p         -79.4  138.2  Favored   9   7  0.27  10  0.37  molprobity     1  True   
 27   27  m         -61.6  117.0  Favored   4   6  0.23   8  0.32  molprobity     1  True   
 28   28  m-20      -72.1  -19.4  Favored   4   8  0.22  11  0.38  molprobity     ?  False  
 29   29  t70       -72.1  -39.0  Favored   4   8  0.20  11  0.30  molprobity     ?  False  
 30   30  m-20      -81.4  -16.0  Favored   4   8  0.23  11  0.37  molprobity     ?  False  
 31   31  t-105         ?      ?  ?        10  16  0.40  20  0.21  molprobity     ?  False  
 32   32  t             ?      ?  ?         6   6  0.42   9  0.52  molprobity     1  True   
 33   33  Cg_exo    -48.3  121.7  Favored   7   8  0.24  11  0.35  molprobity     1  True   
 34   34  ?         -53.8  -28.5  Favored   5   5  0.26   7  0.30  molprobity     1  True   
 35   35  mp        -58.0  -39.8  Favored  11   8  0.28  11  0.21  molprobity     1  True   
 36   36  t         -87.8  -20.8  Favored   4   6  0.27   8  0.11  molprobity     1  True   
 37   37  m         -58.1  -44.8  Favored   5   6  0.21   8  0.32  molprobity     1  True   
 38   38  p80       -66.3  -20.1  Favored   7  11  0.41  15  0.62  molprobity     1  True   
 39   39  m         -88.0   33.6  Allowed   5   6  0.29   8  0.40  molprobity     1  True   
 40   40  t         -40.0  -27.2  OUTLIER   4   6  0.52   8  0.68  molprobity     1  True   
 41   41  mmt180    -70.5  -45.7  Favored  13  11  0.38  14  0.59  molprobity     1  True   
 42   42  m         -58.1  -18.1  Favored   5   6  0.29   8  0.61  molprobity     1  True   
 43   43  mm?       -61.4  -20.5  Favored  11   8  0.31  11  0.40  molprobity     1  True   
 44   44  tppp?     -60.6  -45.5  Favored  13   9  0.24  11  0.28  molprobity     1  True   
 45   45  tp        -85.0  -35.2  Favored  11   8  0.24  11  0.27  molprobity     1  True   
 46   46  t         -57.8  -41.0  Favored   4   6  0.24   8  0.33  molprobity     1  True   
 47   47  t-20      -65.1  -22.4  Favored   6   8  0.30  11  0.21  molprobity     1  True   
 48   48  mtp180    -78.8  -23.5  Favored  13  11  0.30  14  0.36  molprobity     1  True   
 49   49  mt        -99.9  -29.9  Favored  11   8  0.26  11  0.51  molprobity     1  True   
 50   50  mt       -122.4   72.5  Favored  11   8  0.20  12  0.52  molprobity     1  True   
 51   51  Cg_endo   -75.6  -46.3  Allowed   7   8  0.20  11  0.27  molprobity     1  True   
 52   52  t         -89.3  -17.4  Favored   7   7  0.38  10  0.56  molprobity     1  True   
 53   53  ?         -83.1  -35.0  Favored   5   5  0.28   7  0.22  molprobity     1  True   
 54   54  m        -124.8   69.6  Favored   4   6  0.28   9  0.44  molprobity     1  True   
 55   55  Cg_exo    -76.0  -16.0  Favored   7   8  0.29  11  0.65  molprobity     1  True   
 56   56  p-10      -85.5   44.8  Allowed   4   8  0.25  11  0.39  molprobity     1  True   
 57   57  p         -77.4  141.6  Favored   9   7  0.25  10  0.43  molprobity     1  True   
 58   58  m         -58.8  116.8  Favored   4   6  0.22   8  0.39  molprobity     1  True   
 59   59  t70       -77.7  -23.0  Favored   4   8  0.21  11  0.38  molprobity     ?  False  
 60   60  p-10      -66.5  -32.7  Favored   4   8  0.19  11  0.23  molprobity     ?  False  
 61   61  t70       -92.4  -14.5  Favored   4   8  0.21  11  0.45  molprobity     ?  False  
 62   62  t90           ?      ?  ?        10  16  0.40  20  0.24  molprobity     ?  False  
 63   63  t             ?      ?  ?         6   6  0.48   9  0.49  molprobity     1  True   
 64   64  Cg_exo    -56.7  142.1  Favored   7   8  0.22  11  0.37  molprobity     1  True   
 65   65  ?         -62.3  -23.5  Favored   5   5  0.19   7  0.23  molprobity     1  True   
 66   66  mm?       -59.9  -51.3  Favored  11   8  0.25  11  0.21  molprobity     1  True   
 67   67  m         -68.2  -33.5  Favored   4   6  0.34   8  0.19  molprobity     1  True   
 68   68  t         -58.4  -37.1  Favored   5   6  0.33   8  0.26  molprobity     1  True   
 69   69  t60       -72.2   -8.6  Favored   7  11  0.38  15  0.37  molprobity     1  True   
 70   70  p        -127.3   37.1  Favored   5   6  0.32   8  0.54  molprobity     1  True   
 71   71  OUTLIER   -36.2  -31.1  OUTLIER   4   6  0.53   8  0.70  molprobity     1  True   
 72   72  mtm180    -58.9  -47.8  Favored  13  11  0.35  14  0.73  molprobity     1  True   
 73   73  m         -56.8  -16.9  Favored   5   6  0.28   8  0.76  molprobity     1  True   
 74   74  mp        -64.9  -20.0  Favored  11   8  0.30  11  0.37  molprobity     1  True   
 75   75  mmmm      -61.2  -35.8  Favored  13   9  0.24  11  0.43  molprobity     1  True   
 76   76  tp        -87.0  -42.2  Favored  11   8  0.23  11  0.16  molprobity     1  True   
 77   77  m         -56.4  -32.8  Favored   4   6  0.37   8  0.45  molprobity     1  True   
 78   78  t-20      -64.8  -18.5  Favored   6   8  0.28  11  0.23  molprobity     1  True   
 79   79  mmm180    -85.4  -33.8  Favored  13  11  0.24  14  0.47  molprobity     1  True   
 80   80  mt        -87.1  -28.9  Favored  11   8  0.30  11  0.55  molprobity     1  True   
 81   81  mt       -127.2   67.7  Favored  11   8  0.17  12  0.53  molprobity     1  True   
 82   82  Cg_exo    -66.7  -48.4  Favored   7   8  0.29  11  0.36  molprobity     1  True   
 83   83  t         -92.1  -23.8  Favored   7   7  0.39  10  0.50  molprobity     1  True   
 84   84  ?         -80.9  -21.1  Favored   5   5  0.23   7  0.23  molprobity     1  True   
 85   85  t        -128.7   73.2  Favored   4   6  0.25   9  0.42  molprobity     1  True   
 86   86  Cg_endo   -91.5   21.6  Allowed   7   8  0.33  11  0.43  molprobity     1  True   
 87   87  m-20     -112.5   41.3  Favored   4   8  0.25  11  0.40  molprobity     1  True   
 88   88  t         -79.8  128.9  Favored   9   7  0.20  10  0.42  molprobity     1  True   
 89   89  m         -55.9  117.0  Favored   4   6  0.22   8  0.37  molprobity     1  True   
 90   90  p-10      -70.9  -21.8  Favored   4   8  0.15  11  0.27  molprobity     ?  False  
 91   91  m-20      -70.2  -19.9  Favored   4   8  0.17  11  0.39  molprobity     ?  False  
 92   92  t70       -86.4   -8.0  Favored   4   8  0.21  11  0.38  molprobity     ?  False  
 93   93  m95           ?      ?  ?        10  16  0.39  20  0.21  molprobity     ?  False  
 94   94  t             ?      ?  ?         6   6  0.48   9  0.52  molprobity     1  True   
 95   95  Cg_exo    -52.2  130.7  Favored   7   8  0.23  11  0.34  molprobity     1  True   
 96   96  ?         -58.9  -23.0  Favored   5   5  0.14   7  0.25  molprobity     1  True   
 97   97  mp        -59.8  -48.0  Favored  11   8  0.23  11  0.24  molprobity     1  True   
 98   98  m         -74.8  -21.7  Favored   4   6  0.25   8  0.20  molprobity     1  True   
 99   99  t         -67.1  -43.5  Favored   5   6  0.22   8  0.20  molprobity     1  True   
100  100  t60       -76.8  -32.3  Favored   7  11  0.25  15  0.29  molprobity     1  True   
101  101  p         -95.7   32.0  Allowed   5   6  0.25   8  0.59  molprobity     1  True   
102  102  OUTLIER   -42.8  -17.8  OUTLIER   4   6  0.48   8  0.72  molprobity     1  True   
103  103  mmm180    -59.3  -43.2  Favored  13  11  0.40  14  0.81  molprobity     1  True   
104  104  t         -53.8  -18.0  Favored   5   6  0.20   8  0.69  molprobity     1  True   
105  105  OUTLIER   -54.0  -27.5  Favored  11   8  0.19  11  0.17  molprobity     1  True   
106  106  mmtp      -59.5  -44.3  Favored  13   9  0.28  11  0.32  molprobity     1  True   
107  107  tp        -80.5  -44.7  Favored  11   8  0.27  11  0.17  molprobity     1  True   
108  108  m         -57.7  -35.3  Favored   4   6  0.28   8  0.11  molprobity     1  True   
109  109  t-20      -68.7  -18.4  Favored   6   8  0.32  11  0.25  molprobity     1  True   
110  110  mmt180    -71.2  -38.2  Favored  13  11  0.22  14  0.41  molprobity     1  True   
111  111  OUTLIER   -98.0  -24.5  Favored  11   8  0.29  11  0.43  molprobity     1  True   
112  112  mt       -120.9   67.4  Favored  11   8  0.17  12  0.50  molprobity     1  True   
113  113  Cg_exo    -72.1  -48.4  Allowed   7   8  0.38  11  0.40  molprobity     1  True   
114  114  t         -90.4  -19.5  Favored   7   7  0.38  10  0.53  molprobity     1  True   
115  115  ?         -79.5  -30.9  Favored   5   5  0.24   7  0.22  molprobity     1  True   
116  116  m        -126.5   71.0  Favored   4   6  0.18   9  0.47  molprobity     1  True   
117  117  Cg_endo   -87.9    7.4  Favored   7   8  0.30  11  0.49  molprobity     1  True   
118  118  t70       -91.0   46.6  Allowed   4   8  0.22  11  0.42  molprobity     1  True   
119  119  m         -77.3  128.7  Favored   9   7  0.23  10  0.47  molprobity     1  True   
120  120  m         -77.0  123.1  Favored   4   6  0.18   8  0.34  molprobity     1  True   
121  121  p-10      -66.8  -18.9  Favored   4   8  0.16  11  0.42  molprobity     ?  False  
122  122  m-20      -64.1  -24.1  Favored   4   8  0.18  11  0.35  molprobity     ?  False  
123  123  t70       -80.3  -23.1  Favored   4   8  0.19  11  0.34  molprobity     ?  False  
124  124  t90           ?      ?  ?        10  16  0.35  20  0.24  molprobity     ?  False  
125  125  t             ?      ?  ?         6   6  0.51   9  0.57  molprobity     1  True   
126  126  Cg_exo    -49.8  125.7  Favored   7   8  0.24  11  0.34  molprobity     1  True   
127  127  ?         -59.9  -32.5  Favored   5   5  0.13   7  0.18  molprobity     1  True   
128  128  mm?       -60.2  -40.2  Favored  11   8  0.26  11  0.22  molprobity     1  True   
129  129  t         -71.1  -40.4  Favored   4   6  0.30   8  0.23  molprobity     1  True   
130  130  m         -61.4  -26.6  Favored   5   6  0.25   8  0.31  molprobity     1  True   
131  131  t60       -81.1   -9.9  Favored   7  11  0.32  15  0.39  molprobity     1  True   
132  132  p        -114.3   37.0  Favored   5   6  0.24   8  0.57  molprobity     1  True   
133  133  OUTLIER   -37.0  -33.2  OUTLIER   4   6  0.57   8  0.69  molprobity     1  True   
134  134  ptt180    -65.7  -41.2  Favored  13  11  0.44  14  0.63  molprobity     1  True   
135  135  m         -62.2  -17.8  Favored   5   6  0.34   8  0.74  molprobity     1  True   
136  136  mp        -65.8  -21.0  Favored  11   8  0.33  11  0.52  molprobity     1  True   
137  137  tptm      -61.8  -36.4  Favored  13   9  0.30  11  0.34  molprobity     1  True   
138  138  mt        -87.3  -42.4  Favored  11   8  0.16  11  0.30  molprobity     1  True   
139  139  t         -56.7  -36.0  Favored   4   6  0.32   8  0.32  molprobity     1  True   
140  140  t-20      -62.3  -22.9  Favored   6   8  0.31  11  0.26  molprobity     1  True   
141  141  mmt180    -83.2  -17.1  Favored  13  11  0.25  14  0.38  molprobity     1  True   
142  142  mt       -100.0  -28.1  Favored  11   8  0.26  11  0.49  molprobity     1  True   
143  143  mt       -134.1   68.8  Favored  11   8  0.17  12  0.55  molprobity     1  True   
144  144  Cg_endo   -73.0  -46.0  Allowed   7   8  0.26  11  0.34  molprobity     1  True   
145  145  p         -89.1  -26.5  Favored   7   7  0.35  10  0.59  molprobity     1  True   
146  146  ?         -72.0  -42.1  Favored   5   5  0.25   7  0.19  molprobity     1  True   
147  147  m        -127.1   76.0  Favored   4   6  0.25   9  0.41  molprobity     1  True   
148  148  Cg_endo   -85.7   -1.7  Favored   7   8  0.40  11  0.58  molprobity     1  True   
149  149  m-20      -84.6   44.7  Allowed   4   8  0.26  11  0.36  molprobity     1  True   
150  150  t         -78.9  134.7  Favored   9   7  0.26  10  0.46  molprobity     1  True   
151  151  m         -60.2  124.4  Favored   4   6  0.15   8  0.36  molprobity     1  True   
152  152  p-10      -64.4  -17.4  Favored   4   8  0.19  11  0.33  molprobity     ?  False  
153  153  t70       -75.6  -31.5  Favored   4   8  0.20  11  0.33  molprobity     ?  False  
154  154  t70       -92.8  -26.3  Favored   4   8  0.17  11  0.44  molprobity     ?  False  
155  155  t-105         ?      ?  ?        10  16  0.38  20  0.22  molprobity     ?  False  
156  156  t             ?      ?  ?         6   6  0.46   9  0.50  molprobity     1  True   
157  157  Cg_exo    -57.3  131.1  Favored   7   8  0.19  11  0.31  molprobity     1  True   
158  158  ?         -63.4  -21.3  Favored   5   5  0.16   7  0.22  molprobity     1  True   
159  159  mp        -56.6  -47.2  Favored  11   8  0.24  11  0.26  molprobity     1  True   
160  160  m         -71.0  -34.2  Favored   4   6  0.26   8  0.12  molprobity     1  True   
161  161  t         -66.5  -39.8  Favored   5   6  0.26   8  0.28  molprobity     1  True   
162  162  t60       -69.1  -12.6  Favored   7  11  0.32  15  0.40  molprobity     1  True   
163  163  p        -129.6   32.7  Favored   5   6  0.26   8  0.73  molprobity     1  True   
164  164  t         -40.9  -19.8  OUTLIER   4   6  0.50   8  0.83  molprobity     1  True   
165  165  mtt180    -60.7  -38.7  Favored  13  11  0.41  14  0.74  molprobity     1  True   
166  166  t         -58.7  -17.9  Favored   5   6  0.16   8  0.48  molprobity     1  True   
167  167  OUTLIER   -56.1  -27.6  Favored  11   8  0.21  11  0.21  molprobity     1  True   
168  168  tptt      -57.4  -37.3  Favored  13   9  0.22  11  0.39  molprobity     1  True   
169  169  tp        -86.8  -45.8  Favored  11   8  0.19  11  0.23  molprobity     1  True   
170  170  m         -57.4  -32.5  Favored   4   6  0.24   8  0.17  molprobity     1  True   
171  171  t-20      -68.4  -14.1  Favored   6   8  0.32  11  0.22  molprobity     1  True   
172  172  mtt-85    -81.6  -32.5  Favored  13  11  0.22  14  0.27  molprobity     1  True   
173  173  mt       -100.1  -26.6  Favored  11   8  0.29  11  0.49  molprobity     1  True   
174  174  mt       -127.8   70.9  Favored  11   8  0.16  12  0.54  molprobity     1  True   
175  175  Cg_endo   -78.4  -46.3  Allowed   7   8  0.24  11  0.28  molprobity     1  True   
176  176  p         -82.8  -28.5  Favored   7   7  0.34  10  0.57  molprobity     1  True   
177  177  ?         -75.0  -38.3  Favored   5   5  0.28   7  0.14  molprobity     1  True   
178  178  m        -123.2   76.0  Favored   4   6  0.20   9  0.43  molprobity     1  True   
179  179  Cg_endo   -88.4    1.4  Favored   7   8  0.40  11  0.55  molprobity     1  True   
180  180  t70       -88.8   47.0  Allowed   4   8  0.24  11  0.42  molprobity     1  True   
181  181  m         -76.8  115.3  Favored   9   7  0.24  10  0.46  molprobity     1  True   
182  182  m         -53.0  117.5  Favored   4   6  0.29   8  0.48  molprobity     1  True   
183  183  p-10      -63.7  -15.2  Favored   4   8  0.24  11  0.36  molprobity     ?  False  
184  184  t70       -69.1  -50.5  Favored   4   8  0.21  11  0.34  molprobity     ?  False  
185  185  t70       -89.1  -32.9  Favored   4   8  0.15  11  0.43  molprobity     ?  False  
186  186  t-105         ?      ?  ?        10  16  0.38  20  0.22  molprobity     ?  False  
187  187  t             ?      ?  ?         6   6  0.49   9  0.53  molprobity     1  True   
188  188  Cg_endo   -54.5  118.1  Favored   7   8  0.20  11  0.42  molprobity     1  True   
189  189  ?         -61.5  -31.6  Favored   5   5  0.17   7  0.22  molprobity     1  True   
190  190  mm?       -67.3  -29.4  Favored  11   8  0.28  11  0.24  molprobity     1  True   
191  191  t         -84.5  -36.0  Favored   4   6  0.34   8  0.42  molprobity     1  True   
192  192  t         -51.2  -41.0  Favored   5   6  0.30   8  0.38  molprobity     1  True   
193  193  t60       -61.9  -34.9  Favored   7  11  0.26  15  0.20  molprobity     1  True   
194  194  p         -81.0   35.8  Allowed   5   6  0.26   8  0.67  molprobity     1  True   
195  195  t         -39.5  -25.9  OUTLIER   4   6  0.50   8  0.71  molprobity     1  True   
196  196  mtm180    -64.2  -50.9  Favored  13  11  0.35  14  0.56  molprobity     1  True   
197  197  m         -57.7  -17.0  Favored   5   6  0.29   8  0.65  molprobity     1  True   
198  198  mm?       -64.5  -19.9  Favored  11   8  0.28  11  0.33  molprobity     1  True   
199  199  mmmm      -57.5  -38.1  Favored  13   9  0.22  11  0.44  molprobity     1  True   
200  200  mt        -86.3  -37.2  Favored  11   8  0.19  11  0.31  molprobity     1  True   
201  201  t         -58.3  -37.5  Favored   4   6  0.34   8  0.61  molprobity     1  True   
202  202  t-20      -67.7  -14.4  Favored   6   8  0.32  11  0.37  molprobity     1  True   
203  203  mmp_?     -70.8  -36.0  Favored  13  11  0.27  14  0.31  molprobity     1  True   
204  204  OUTLIER   -96.5  -18.6  Favored  11   8  0.31  11  0.46  molprobity     1  True   
205  205  mt       -126.4   62.7  Favored  11   8  0.21  12  0.51  molprobity     1  True   
206  206  Cg_exo    -74.1  -48.5  Allowed   7   8  0.36  11  0.42  molprobity     1  True   
207  207  p         -90.8  -17.8  Favored   7   7  0.31  10  0.54  molprobity     1  True   
208  208  ?         -86.6  -22.3  Favored   5   5  0.27   7  0.32  molprobity     1  True   
209  209  t        -127.0   94.5  Favored   4   6  0.21   9  0.58  molprobity     1  True   
210  210  Cg_endo   -91.2    8.0  Favored   7   8  0.37  11  0.34  molprobity     1  True   
211  211  m-20      -91.2   28.3  Allowed   4   8  0.28  11  0.31  molprobity     1  True   
212  212  t         -83.0  107.2  Favored   9   7  0.31  10  0.42  molprobity     1  True   
213  213  p         -71.0  116.1  Favored   4   6  0.29   8  0.43  molprobity     1  True   
214  214  p-10      -75.6  -13.4  Favored   4   8  0.17  11  0.56  molprobity     ?  False  
215  215  m-20      -54.6  -48.6  Favored   4   8  0.18  11  0.39  molprobity     ?  False  
216  216  t70       -80.7  -44.2  Favored   4   8  0.14  11  0.46  molprobity     ?  False  
217  217  t-105         ?      ?  ?        10  16  0.41  20  0.24  molprobity     ?  False  
218  218  t             ?      ?  ?         6   6  0.54   9  0.47  molprobity     1  True   
219  219  Cg_exo    -52.9  138.7  Favored   7   8  0.26  11  0.39  molprobity     1  True   
220  220  ?         -60.5  -28.3  Favored   5   5  0.17   7  0.27  molprobity     1  True   
221  221  mt        -60.8  -33.9  Favored  11   8  0.30  11  0.39  molprobity     1  True   
222  222  m         -86.9  -46.4  Favored   4   6  0.30   8  0.16  molprobity     1  True   
223  223  p         -55.8  -43.8  Favored   5   6  0.33   8  0.28  molprobity     1  True   
224  224  t60       -67.9  -29.1  Favored   7  11  0.40  15  0.45  molprobity     1  True   
225  225  m        -104.4   35.6  Favored   5   6  0.32   8  0.52  molprobity     1  True   
226  226  t         -38.9  -26.5  OUTLIER   4   6  0.52   8  0.65  molprobity     1  True   
227  227  mtp180    -59.6  -48.3  Favored  13  11  0.37  14  0.66  molprobity     1  True   
228  228  m         -57.4  -16.9  Favored   5   6  0.29   8  0.78  molprobity     1  True   
229  229  mm?       -65.8  -20.4  Favored  11   8  0.32  11  0.37  molprobity     1  True   
230  230  tptt      -60.4  -31.6  Favored  13   9  0.25  11  0.34  molprobity     1  True   
231  231  mt        -88.0  -47.1  Favored  11   8  0.15  11  0.33  molprobity     1  True   
232  232  t         -57.9  -36.3  Favored   4   6  0.22   8  0.19  molprobity     1  True   
233  233  t-20      -65.2  -18.4  Favored   6   8  0.30  11  0.22  molprobity     1  True   
234  234  mtp180    -77.8  -29.9  Favored  13  11  0.25  14  0.36  molprobity     1  True   
235  235  mt        -96.7  -24.6  Favored  11   8  0.28  11  0.47  molprobity     1  True   
236  236  mt       -132.8   71.4  Favored  11   8  0.19  12  0.57  molprobity     1  True   
237  237  Cg_exo    -71.9  -48.1  Allowed   7   8  0.34  11  0.40  molprobity     1  True   
238  238  p         -89.9   -8.0  Favored   7   7  0.29  10  0.54  molprobity     1  True   
239  239  ?         -97.5  -38.5  Favored   5   5  0.29   7  0.28  molprobity     1  True   
240  240  m        -125.2   76.4  Favored   4   6  0.15   9  0.41  molprobity     1  True   
241  241  Cg_endo   -86.6   10.2  Favored   7   8  0.44  11  0.58  molprobity     1  True   
242  242  t70       -85.5   43.5  Allowed   4   8  0.31  11  0.53  molprobity     1  True   
243  243  m         -81.2  130.2  Favored   9   7  0.37  10  0.41  molprobity     1  True   
244  244  p         -98.5  114.6  Favored   4   6  0.31   8  0.40  molprobity     1  True   
245  245  m-20      -82.9  -12.8  Favored   4   8  0.20  11  0.36  molprobity     ?  False  
246  246  p-10      -67.7  -33.4  Favored   4   8  0.19  11  0.34  molprobity     ?  False  
247  247  t70       -79.5  -28.6  Favored   4   8  0.26  11  0.44  molprobity     ?  False  
248  248  t-105         ?      ?  ?        10  16  0.41  20  0.23  molprobity     ?  False  
249  249  t             ?      ?  ?         6   6  0.50   9  0.49  molprobity     1  True   
250  250  Cg_exo    -51.6  131.0  Favored   7   8  0.31  11  0.31  molprobity     1  True   
251  251  ?         -62.0  -22.0  Favored   5   5  0.21   7  0.21  molprobity     1  True   
252  252  mm?       -62.5  -57.2  Favored  11   8  0.25  11  0.22  molprobity     1  True   
253  253  m         -62.2  -41.0  Favored   4   6  0.30   8  0.23  molprobity     1  True   
254  254  t         -62.6  -45.0  Favored   5   6  0.33   8  0.22  molprobity     1  True   
255  255  t60       -61.6  -50.1  Favored   7  11  0.32  15  0.49  molprobity     1  True   
256  256  m         -85.0   34.9  Allowed   5   6  0.24   8  0.59  molprobity     1  True   
257  257  t         -39.5  -24.6  OUTLIER   4   6  0.52   8  0.67  molprobity     1  True   
258  258  mtt180    -56.6  -39.8  Favored  13  11  0.44  14  0.73  molprobity     1  True   
259  259  m         -54.9  -18.0  Favored   5   6  0.29   8  0.73  molprobity     1  True   
260  260  mm?       -66.7  -21.1  Favored  11   8  0.31  11  0.53  molprobity     1  True   
261  261  ttmt      -64.4  -36.9  Favored  13   9  0.24  11  0.34  molprobity     1  True   
262  262  tp        -87.7  -45.8  Favored  11   8  0.24  11  0.23  molprobity     1  True   
263  263  t         -61.1  -31.6  Favored   4   6  0.31   8  0.23  molprobity     1  True   
264  264  t-20      -67.1  -13.5  Favored   6   8  0.34  11  0.24  molprobity     1  True   
265  265  mmm180    -71.0  -38.6  Favored  13  11  0.23  14  0.53  molprobity     1  True   
266  266  OUTLIER   -99.7  -21.9  Favored  11   8  0.27  11  0.30  molprobity     1  True   
267  267  mt       -126.3   66.0  Favored  11   8  0.21  12  0.42  molprobity     1  True   
268  268  Cg_exo    -75.7  -48.9  Allowed   7   8  0.38  11  0.43  molprobity     1  True   
269  269  p         -90.5  -27.5  Favored   7   7  0.30  10  0.61  molprobity     1  True   
270  270  ?         -69.3  -37.2  Favored   5   5  0.30   7  0.20  molprobity     1  True   
271  271  m        -124.1   84.4  Favored   4   6  0.18   9  0.49  molprobity     1  True   
272  272  Cg_endo   -86.8    8.5  Favored   7   8  0.27  11  0.39  molprobity     1  True   
273  273  t70       -85.8   43.4  Allowed   4   8  0.22  11  0.47  molprobity     1  True   
274  274  t         -85.4  107.2  Favored   9   7  0.25  10  0.48  molprobity     1  True   
275  275  p         -88.7  114.3  Favored   4   6  0.30   8  0.40  molprobity     1  True   
276  276  t70       -84.1  -24.6  Favored   4   8  0.20  11  0.44  molprobity     ?  False  
277  277  m-20      -67.5  -26.5  Favored   4   8  0.18  11  0.38  molprobity     ?  False  
278  278  t70       -66.1  -34.8  Favored   4   8  0.23  11  0.49  molprobity     ?  False  
279  279  m95           ?      ?  ?        10  16  0.39  20  0.25  molprobity     ?  False  
280  280  t             ?      ?  ?         6   6  0.44   9  0.46  molprobity     1  True   
281  281  Cg_exo    -55.5  139.1  Favored   7   8  0.20  11  0.40  molprobity     1  True   
282  282  ?         -55.7  -27.7  Favored   5   5  0.16   7  0.27  molprobity     1  True   
283  283  mp        -61.0  -56.0  Favored  11   8  0.22  11  0.24  molprobity     1  True   
284  284  m         -70.5  -27.6  Favored   4   6  0.35   8  0.23  molprobity     1  True   
285  285  t         -57.9  -33.9  Favored   5   6  0.27   8  0.24  molprobity     1  True   
286  286  t60       -92.6  -27.9  Favored   7  11  0.29  15  0.35  molprobity     1  True   
287  287  p         -90.2   35.7  Allowed   5   6  0.18   8  0.49  molprobity     1  True   
288  288  OUTLIER   -38.2  -29.6  OUTLIER   4   6  0.57   8  0.67  molprobity     1  True   
289  289  mtt180    -67.6  -53.1  Favored  13  11  0.28  14  0.55  molprobity     1  True   
290  290  m         -53.3  -18.1  Favored   5   6  0.30   8  0.63  molprobity     1  True   
291  291  mm?       -60.2  -20.1  Favored  11   8  0.31  11  0.37  molprobity     1  True   
292  292  OUTLIER   -59.9  -36.2  Favored  13   9  0.30  11  0.57  molprobity     1  True   
293  293  mt        -87.2  -47.0  Favored  11   8  0.21  11  0.25  molprobity     1  True   
294  294  t         -57.3  -33.4  Favored   4   6  0.36   8  0.27  molprobity     1  True   
295  295  t-20      -67.0  -14.2  Favored   6   8  0.32  11  0.29  molprobity     1  True   
296  296  mmt180    -77.2  -32.6  Favored  13  11  0.23  14  0.42  molprobity     1  True   
297  297  OUTLIER  -100.5  -24.2  Favored  11   8  0.26  11  0.36  molprobity     1  True   
298  298  mt       -126.7   68.3  Favored  11   8  0.20  12  0.44  molprobity     1  True   
299  299  Cg_exo    -77.0  -48.2  Allowed   7   8  0.40  11  0.43  molprobity     1  True   
300  300  p         -83.4  -23.8  Favored   7   7  0.34  10  0.66  molprobity     1  True   
301  301  ?         -77.8  -41.8  Favored   5   5  0.28   7  0.29  molprobity     1  True   
302  302  m        -124.7   76.6  Favored   4   6  0.17   9  0.41  molprobity     1  True   
303  303  Cg_endo   -84.7    7.2  Favored   7   8  0.40  11  0.55  molprobity     1  True   
304  304  t70       -84.3   44.8  Allowed   4   8  0.23  11  0.45  molprobity     1  True   
305  305  m         -79.6  110.8  Favored   9   7  0.30  10  0.49  molprobity     1  True   
306  306  m         -60.0  117.5  Favored   4   6  0.25   8  0.54  molprobity     1  True   
307  307  t70       -61.0  -23.8  Favored   4   8  0.23  11  0.48  molprobity     ?  False  
308  308  t70       -55.6  -40.7  Favored   4   8  0.22  11  0.41  molprobity     ?  False  
309  309  m-20      -85.8   -8.5  Favored   4   8  0.25  11  0.41  molprobity     ?  False  
310  310  t-105         ?      ?  ?        10  16  0.41  20  0.29  molprobity     ?  False  
311  311  t             ?      ?  ?         6   6  0.51   9  0.48  molprobity     1  True   
312  312  Cg_exo    -53.3  137.2  Favored   7   8  0.24  11  0.41  molprobity     1  True   
313  313  ?         -56.6  -26.4  Favored   5   5  0.21   7  0.30  molprobity     1  True   
314  314  mp        -58.7  -40.5  Favored  11   8  0.26  11  0.26  molprobity     1  True   
315  315  m         -84.0  -27.4  Favored   4   6  0.32   8  0.07  molprobity     1  True   
316  316  t         -55.0  -51.5  Favored   5   6  0.33   8  0.27  molprobity     1  True   
317  317  p80       -79.4  -10.5  Favored   7  11  0.53  15  0.67  molprobity     1  True   
318  318  m         -97.3   35.9  Allowed   5   6  0.31   8  0.31  molprobity     1  True   
319  319  t         -38.7  -31.0  OUTLIER   4   6  0.59   8  0.69  molprobity     1  True   
320  320  mtt180    -67.9  -49.0  Favored  13  11  0.36  14  0.59  molprobity     1  True   
321  321  m         -51.5  -21.9  Favored   5   6  0.29   8  0.71  molprobity     1  True   
322  322  mm?       -59.6  -23.9  Favored  11   8  0.34  11  0.43  molprobity     1  True   
323  323  tmtp?     -66.6  -36.3  Favored  13   9  0.28  11  0.29  molprobity     1  True   
324  324  mt        -86.4  -44.6  Favored  11   8  0.20  11  0.34  molprobity     1  True   
325  325  t         -58.9  -38.3  Favored   4   6  0.25   8  0.18  molprobity     1  True   
326  326  t-20      -66.3  -21.8  Favored   6   8  0.35  11  0.21  molprobity     1  True   
327  327  mtp180    -79.2  -21.5  Favored  13  11  0.29  14  0.37  molprobity     1  True   
328  328  mt       -100.4  -32.8  Favored  11   8  0.27  11  0.53  molprobity     1  True   
329  329  mt       -123.7   69.7  Favored  11   8  0.19  12  0.52  molprobity     1  True   
330  330  Cg_exo    -74.0  -48.2  Allowed   7   8  0.39  11  0.41  molprobity     1  True   
331  331  t         -89.4  -12.4  Favored   7   7  0.36  10  0.57  molprobity     1  True   
332  332  ?         -87.6  -34.5  Favored   5   5  0.27   7  0.36  molprobity     1  True   
333  333  m        -128.0   69.7  Favored   4   6  0.22   9  0.42  molprobity     1  True   
334  334  Cg_exo    -73.3   -9.5  Favored   7   8  0.30  11  0.63  molprobity     1  True   
335  335  m-20      -81.3   45.5  Allowed   4   8  0.22  11  0.29  molprobity     1  True   
336  336  p         -77.6  123.6  Favored   9   7  0.25  10  0.44  molprobity     1  True   
337  337  m         -63.9  120.8  Favored   4   6  0.26   8  0.32  molprobity     1  True   
338  338  m-20      -81.2  -18.9  Favored   4   8  0.20  11  0.33  molprobity     ?  False  
339  339  m-20      -69.5  -28.1  Favored   4   8  0.19  11  0.35  molprobity     ?  False  
340  340  t70       -73.1  -49.5  Favored   4   8  0.15  11  0.57  molprobity     ?  False  
341  341  t90           ?      ?  ?        10  16  0.40  20  0.26  molprobity     ?  False  
342  342  t             ?      ?  ?         6   6  0.50   9  0.53  molprobity     1  True   
343  343  Cg_exo    -50.0  136.9  Favored   7   8  0.26  11  0.42  molprobity     1  True   
344  344  ?         -57.3  -32.4  Favored   5   5  0.20   7  0.26  molprobity     1  True   
345  345  mp        -72.5  -28.2  Favored  11   8  0.24  11  0.22  molprobity     1  True   
346  346  t         -85.6  -19.3  Favored   4   6  0.38   8  0.36  molprobity     1  True   
347  347  m         -69.2  -36.3  Favored   5   6  0.23   8  0.26  molprobity     1  True   
348  348  t60       -87.5  -23.8  Favored   7  11  0.31  15  0.32  molprobity     1  True   
349  349  p         -86.6   35.8  Allowed   5   6  0.17   8  0.56  molprobity     1  True   
350  350  t         -38.4  -29.9  OUTLIER   4   6  0.55   8  0.67  molprobity     1  True   
351  351  ptt180    -65.0  -47.8  Favored  13  11  0.32  14  0.61  molprobity     1  True   
352  352  m         -61.1  -16.8  Favored   5   6  0.33   8  0.51  molprobity     1  True   
353  353  mm?       -61.2  -21.4  Favored  11   8  0.34  11  0.47  molprobity     1  True   
354  354  mmpt?     -61.9  -44.0  Favored  13   9  0.29  11  0.28  molprobity     1  True   
355  355  tp        -87.1  -40.5  Favored  11   8  0.23  11  0.23  molprobity     1  True   
356  356  t         -59.2  -35.2  Favored   4   6  0.37   8  0.24  molprobity     1  True   
357  357  t-20      -66.4  -21.3  Favored   6   8  0.29  11  0.22  molprobity     1  True   
358  358  mmm180    -80.9  -28.9  Favored  13  11  0.24  14  0.41  molprobity     1  True   
359  359  mt        -90.4  -27.0  Favored  11   8  0.26  11  0.44  molprobity     1  True   
360  360  mt       -126.0   67.9  Favored  11   8  0.22  12  0.46  molprobity     1  True   
361  361  Cg_exo    -71.3  -47.5  Allowed   7   8  0.40  11  0.44  molprobity     1  True   
362  362  p         -86.1  -25.9  Favored   7   7  0.37  10  0.65  molprobity     1  True   
363  363  ?         -78.2  -42.3  Favored   5   5  0.30   7  0.28  molprobity     1  True   
364  364  m        -122.6   80.7  Favored   4   6  0.22   9  0.50  molprobity     1  True   
365  365  Cg_endo   -79.3   -3.9  Favored   7   8  0.24  11  0.35  molprobity     1  True   
366  366  m-20      -82.5   45.4  Allowed   4   8  0.26  11  0.34  molprobity     1  True   
367  367  p         -77.6  121.9  Favored   9   7  0.30  10  0.39  molprobity     1  True   
368  368  m         -67.1  115.8  Favored   4   6  0.34   8  0.33  molprobity     1  True   
369  369  t70       -82.3  -23.9  Favored   4   8  0.21  11  0.48  molprobity     ?  False  
370  370  m-20      -73.7  -10.3  Favored   4   8  0.21  11  0.32  molprobity     ?  False  
371  371  t70       -92.5   -1.2  Favored   4   8  0.18  11  0.41  molprobity     ?  False  
372  372  t90           ?      ?  ?        10  16  0.38  20  0.24  molprobity     ?  False  
373  373  t             ?      ?  ?         6   6  0.43   9  0.53  molprobity     1  True   
374  374  Cg_exo    -56.0  136.5  Favored   7   8  0.13  11  0.36  molprobity     1  True   
375  375  ?         -59.6  -20.6  Favored   5   5  0.18   7  0.30  molprobity     1  True   
376  376  mm?       -59.7  -41.9  Favored  11   8  0.26  11  0.16  molprobity     1  True   
377  377  m         -69.9  -32.7  Favored   4   6  0.30   8  0.17  molprobity     1  True   
378  378  t         -63.6  -24.4  Favored   5   6  0.26   8  0.36  molprobity     1  True   
379  379  t60       -86.2   -9.2  Favored   7  11  0.28  15  0.45  molprobity     1  True   
380  380  p        -127.6   36.9  Favored   5   6  0.22   8  0.49  molprobity     1  True   
381  381  t         -37.0  -29.9  OUTLIER   4   6  0.63   8  0.87  molprobity     1  True   
382  382  mtp180    -73.2  -44.7  Favored  13  11  0.41  14  0.60  molprobity     1  True   
383  383  t         -56.6  -16.1  Favored   5   6  0.16   8  0.34  molprobity     1  True   
384  384  mm?       -52.6  -26.6  Favored  11   8  0.22  11  0.28  molprobity     1  True   
385  385  mmmt      -59.6  -34.5  Favored  13   9  0.25  11  0.29  molprobity     1  True   
386  386  tp        -86.7  -43.7  Favored  11   8  0.21  11  0.20  molprobity     1  True   
387  387  t         -53.4  -44.8  Favored   4   6  0.31   8  0.25  molprobity     1  True   
388  388  t-20      -59.9  -20.6  Favored   6   8  0.35  11  0.37  molprobity     1  True   
389  389  mmm180    -86.8  -28.8  Favored  13  11  0.28  14  0.47  molprobity     1  True   
390  390  mt        -93.6  -26.6  Favored  11   8  0.29  11  0.63  molprobity     1  True   
391  391  mt       -132.9   65.8  Favored  11   8  0.21  12  0.56  molprobity     1  True   
392  392  Cg_exo    -72.3  -48.8  Allowed   7   8  0.34  11  0.40  molprobity     1  True   
393  393  t         -90.4  -14.0  Favored   7   7  0.34  10  0.58  molprobity     1  True   
394  394  ?         -86.5  -30.1  Favored   5   5  0.32   7  0.26  molprobity     1  True   
395  395  t        -126.3   84.4  Favored   4   6  0.22   9  0.45  molprobity     1  True   
396  396  OUTLIER   -86.5   -6.8  Favored   7   8  0.42  11  0.50  molprobity     1  True   
397  397  m-20      -83.5   44.3  Allowed   4   8  0.23  11  0.40  molprobity     1  True   
398  398  t         -79.3  125.1  Favored   9   7  0.29  10  0.52  molprobity     1  True   
399  399  m         -55.4  115.0  Favored   4   6  0.29   8  0.35  molprobity     1  True   
400  400  p-10      -81.9  -13.1  Favored   4   8  0.17  11  0.42  molprobity     ?  False  
401  401  t70       -54.6  -35.5  Favored   4   8  0.19  11  0.33  molprobity     ?  False  
402  402  t70       -78.2  -25.6  Favored   4   8  0.21  11  0.36  molprobity     ?  False  
403  403  m95           ?      ?  ?        10  16  0.41  20  0.21  molprobity     ?  False  
404  404  t             ?      ?  ?         6   6  0.45   9  0.51  molprobity     1  True   
405  405  Cg_exo    -56.0  138.8  Favored   7   8  0.19  11  0.38  molprobity     1  True   
406  406  ?         -60.4  -34.2  Favored   5   5  0.13   7  0.22  molprobity     1  True   
407  407  mm?       -65.3  -34.9  Favored  11   8  0.31  11  0.27  molprobity     1  True   
408  408  t         -80.7  -44.8  Favored   4   6  0.27   8  0.30  molprobity     1  True   
409  409  t         -54.9  -46.0  Favored   5   6  0.27   8  0.36  molprobity     1  True   
410  410  t60       -62.1  -38.6  Favored   7  11  0.36  15  0.53  molprobity     1  True   
411  411  m         -78.6   37.2  Allowed   5   6  0.32   8  0.58  molprobity     1  True   
412  412  t         -38.8  -28.9  OUTLIER   4   6  0.48   8  0.69  molprobity     1  True   
413  413  ptt180    -68.3  -45.9  Favored  13  11  0.38  14  0.56  molprobity     1  True   
414  414  m         -57.8  -18.2  Favored   5   6  0.17   8  0.60  molprobity     1  True   
415  415  mm?       -60.4  -21.2  Favored  11   8  0.31  11  0.39  molprobity     1  True   
416  416  tptm      -59.5  -48.6  Favored  13   9  0.25  11  0.24  molprobity     1  True   
417  417  tp        -86.2  -37.1  Favored  11   8  0.24  11  0.21  molprobity     1  True   
418  418  t         -61.4  -31.9  Favored   4   6  0.20   8  0.26  molprobity     1  True   
419  419  t-20      -64.8  -26.0  Favored   6   8  0.33  11  0.24  molprobity     1  True   
420  420  mmm180    -75.4  -33.6  Favored  13  11  0.23  14  0.43  molprobity     1  True   
421  421  mt        -85.8  -32.0  Favored  11   8  0.30  11  0.46  molprobity     1  True   
422  422  mt       -126.3   71.2  Favored  11   8  0.18  12  0.51  molprobity     1  True   
423  423  Cg_exo    -73.5  -46.9  Allowed   7   8  0.36  11  0.41  molprobity     1  True   
424  424  p         -88.9  -27.0  Favored   7   7  0.32  10  0.62  molprobity     1  True   
425  425  ?         -74.1  -38.1  Favored   5   5  0.29   7  0.22  molprobity     1  True   
426  426  m        -125.2   73.8  Favored   4   6  0.22   9  0.38  molprobity     1  True   
427  427  Cg_exo    -79.5  -18.1  Favored   7   8  0.32  11  0.62  molprobity     1  True   
428  428  m-20      -76.3   47.0  Allowed   4   8  0.24  11  0.33  molprobity     1  True   
429  429  p         -77.0  137.7  Favored   9   7  0.21  10  0.48  molprobity     1  True   
430  430  m         -68.0  121.7  Favored   4   6  0.25   8  0.34  molprobity     1  True   
431  431  m-20      -81.8  -13.7  Favored   4   8  0.15  11  0.37  molprobity     ?  False  
432  432  t70       -61.2  -33.6  Favored   4   8  0.17  11  0.37  molprobity     ?  False  
433  433  t70       -74.1  -21.6  Favored   4   8  0.18  11  0.45  molprobity     ?  False  
434  434  m95           ?      ?  ?        10  16  0.37  20  0.24  molprobity     ?  False  
435  435  t             ?      ?  ?         6   6  0.47   9  0.54  molprobity     1  True   
436  436  Cg_exo    -52.4  141.0  Favored   7   8  0.24  11  0.35  molprobity     1  True   
437  437  ?         -62.6  -21.1  Favored   5   5  0.15   7  0.21  molprobity     1  True   
438  438  mm?       -57.7  -50.2  Favored  11   8  0.28  11  0.27  molprobity     1  True   
439  439  m         -73.3  -29.8  Favored   4   6  0.30   8  0.20  molprobity     1  True   
440  440  t         -61.2  -34.1  Favored   5   6  0.27   8  0.33  molprobity     1  True   
441  441  t60       -85.1   -9.0  Favored   7  11  0.28  15  0.39  molprobity     1  True   
442  442  p        -125.6   35.1  Favored   5   6  0.20   8  0.60  molprobity     1  True   
443  443  OUTLIER   -40.2  -24.9  OUTLIER   4   6  0.49   8  0.78  molprobity     1  True   
444  444  ptp180    -73.5  -45.9  Favored  13  11  0.29  14  0.65  molprobity     1  True   
445  445  t         -55.3  -16.2  Favored   5   6  0.19   8  0.42  molprobity     1  True   
446  446  mm?       -50.7  -25.2  Favored  11   8  0.22  11  0.38  molprobity     1  True   
447  447  mtpt      -57.8  -41.0  Favored  13   9  0.26  11  0.37  molprobity     1  True   
448  448  tp        -83.8  -44.1  Favored  11   8  0.19  11  0.23  molprobity     1  True   
449  449  t         -58.3  -37.1  Favored   4   6  0.27   8  0.17  molprobity     1  True   
450  450  t-20      -66.9  -14.7  Favored   6   8  0.32  11  0.25  molprobity     1  True   
451  451  mtt180    -81.3  -23.6  Favored  13  11  0.26  14  0.39  molprobity     1  True   
452  452  mt       -101.9  -33.9  Favored  11   8  0.27  11  0.51  molprobity     1  True   
453  453  mt       -125.4   70.3  Favored  11   8  0.17  12  0.54  molprobity     1  True   
454  454  Cg_endo   -75.6  -47.1  Allowed   7   8  0.24  11  0.32  molprobity     1  True   
455  455  p         -88.7  -21.2  Favored   7   7  0.34  10  0.65  molprobity     1  True   
456  456  ?         -77.9  -36.6  Favored   5   5  0.28   7  0.30  molprobity     1  True   
457  457  m        -129.2   78.7  Favored   4   6  0.23   9  0.46  molprobity     1  True   
458  458  Cg_endo   -83.3   -1.8  Favored   7   8  0.24  11  0.55  molprobity     1  True   
459  459  t0        -80.4   46.4  Allowed   4   8  0.25  11  0.49  molprobity     1  True   
460  460  t         -79.7  111.2  Favored   9   7  0.27  10  0.45  molprobity     1  True   
461  461  m         -62.3  128.5  Favored   4   6  0.17   8  0.42  molprobity     1  True   
462  462  t70       -74.4  -16.5  Favored   4   8  0.13  11  0.51  molprobity     ?  False  
463  463  t70       -51.7  -42.4  Favored   4   8  0.21  11  0.39  molprobity     ?  False  
464  464  t70       -82.3  -12.2  Favored   4   8  0.22  11  0.39  molprobity     ?  False  
465  465  m95           ?      ?  ?        10  16  0.41  20  0.25  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    5  O      1  0.46  2.11  
 2    9  O      2  0.43  2.13  
 3   12  HD21   1  0.46  2.11  
 4   12  HB2    2  0.43  2.13  
 5   15  SG     3  0.53  2.43  
 6   19  HD12   3  0.53  2.43  
 7   19  HB3    4  0.43  1.91  
 8   22  HB3    4  0.43  1.91  
 9   33  HD2    5  0.42  2.55  
10   43  HA     6  0.42  1.90  
11   46  HB3    6  0.42  1.90  
12   50  HB3    7  0.41  1.92  
13   53  HB3    7  0.41  1.92  
14   54  SG     5  0.42  2.55  
15   67  O      8  0.46  2.10  
16   71  HA     9  0.46  1.88  
17   74  HD11   8  0.46  2.10  
18   74  HD13   9  0.46  1.88  
19   95  HD2   10  0.47  2.50  
20  102  O     11  0.58  1.98  
21  102  HA    12  0.48  1.84  
22  105  HB2   11  0.58  1.98  
23  105  HD23  12  0.48  1.84  
24  116  SG    10  0.47  2.50  
25  126  HD2   13  0.47  2.49  
26  129  O     14  0.57  2.00  
27  136  HD11  14  0.57  2.00  
28  136  HA    15  0.43  1.91  
29  139  HB3   15  0.43  1.91  
30  147  SG    13  0.47  2.49  
31  157  HD2   16  0.40  2.56  
32  164  O     17  0.57  2.00  
33  164  HA    18  0.56  1.77  
34  167  HB2   17  0.57  2.00  
35  167  HD23  18  0.56  1.77  
36  178  SG    16  0.40  2.56  
37  191  O     19  0.57  1.99  
38  198  HD21  19  0.57  1.99  
39  198  HD12  20  0.41  2.56  
40  209  SG    20  0.41  2.56  
41  219  HD2   21  0.65  2.32  
42  220  HA    22  0.41  2.15  
43  222  O     23  0.50  2.07  
44  223  OG    22  0.41  2.15  
45  226  O     24  0.43  2.14  
46  229  HD21  23  0.50  2.07  
47  229  HB2   24  0.43  2.14  
48  232  SG    25  0.53  2.44  
49  236  HD12  25  0.53  2.44  
50  236  HB3   26  0.46  1.86  
51  239  HB3   26  0.46  1.86  
52  240  SG    21  0.65  2.32  
53  244  HB2   27  0.45  2.12  
54  246  OD1   27  0.45  2.12  
55  250  HD2   28  0.58  2.39  
56  257  HA    29  0.48  1.84  
57  260  HD23  29  0.48  1.84  
58  263  SG    30  0.52  2.44  
59  267  HD12  30  0.52  2.44  
60  271  SG    28  0.58  2.39  
61  281  HD2   31  0.50  2.46  
62  284  O     32  0.67  1.90  
63  284  HA    33  0.49  2.07  
64  287  OG    33  0.49  2.07  
65  291  HD21  32  0.67  1.90  
66  302  SG    31  0.50  2.46  
67  312  HD2   34  0.45  2.51  
68  318  O     35  0.41  2.15  
69  321  HB2   35  0.41  2.15  
70  325  SG    36  0.46  2.49  
71  329  HD12  36  0.46  2.49  
72  329  HB3   37  0.42  1.91  
73  332  HB3   37  0.42  1.91  
74  333  SG    34  0.45  2.51  
75  343  HD2   38  0.55  2.40  
76  346  O     39  0.61  1.95  
77  353  HD21  39  0.61  1.95  
78  356  SG    40  0.40  2.56  
79  360  HD12  40  0.40  2.56  
80  364  SG    38  0.55  2.40  
81  381  HA    41  0.54  1.78  
82  384  HD23  41  0.54  1.78  
83  405  HD2   42  0.45  2.51  
84  422  HB3   43  0.43  1.90  
85  425  HB3   43  0.43  1.90  
86  426  SG    42  0.45  2.51  
87  443  HA    44  0.53  1.80  
88  446  HD23  44  0.53  1.80  
89  449  SG    45  0.40  2.55  
90  453  HD12  45  0.40  2.55  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  4        ?     
 2  outlier  ?     
 3  5        ?     
 4  3        ?     
 5  4        True  
 6  3        True  
 7  outlier  ?     
 8  1        ?     
 9  1        ?     
10  1        True  
11  2        ?     
12  2        ?     
13  5        True  
14  2        True  
15  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  27
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.430
_pdbx_vrpt_cyrange_domain.medoid_model        5
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.550
_pdbx_vrpt_cyrange_domain.residue_string      A:1-A:27
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           284
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           284
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            284
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  CYS   1  0.042  
 2  A  PRO   2  0.038  
 3  A  ALA   3  0.030  
 4  A  LEU   4  0.022  
 5  A  CYS   5  0.019  
 6  A  SER   6  0.018  
 7  A  HIS   7  0.019  
 8  A  SER   8  0.021  
 9  A  CYS   9  0.025  
10  A  ARG  10  0.032  
11  A  SER  11  0.038  
12  A  LEU  12  0.041  
13  A  LYS  13  0.041  
14  A  LEU  14  0.042  
15  A  CYS  15  0.038  
16  A  ASN  16  0.035  
17  A  ARG  17  0.026  
18  A  LEU  18  0.023  
19  A  LEU  19  0.021  
20  A  PRO  20  0.025  
21  A  THR  21  0.022  
22  A  ALA  22  0.021  
23  A  CYS  23  0.016  
24  A  PRO  24  0.019  
25  A  ASP  25  0.022  
26  A  VAL  26  0.026  
27  A  ASP  28  0.029  
28  A  ASP  29  0.031  
29  A  ASP  30  0.031  
30  A  TRP  31  0.033  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00   0  
2  CA  0.50  0.70  2.81  28  
3  CB  0.50  0.39  2.98  30  
4  N   0.50  0.00  0.00  23  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0   6    6  stereomethyl  stereomethyl  
 2  251  92  343  overall       Total         
 3   92  37  129  backbone      Total         
 4  157  49  206  sidechain     Total         
 5    2   6    8  aromatic      Total         
 6  155  36  191  overall       H             
 7   48   3   51  backbone      H             
 8  105  31  136  sidechain     H             
 9    2   2    4  aromatic      H             
10   75  43  118  overall       C             
11   24  30   54  backbone      C             
12   51  11   62  sidechain     C             
13    0   2    2  aromatic      C             
14   21  13   34  overall       N             
15   20   4   24  backbone      N             
16    1   7    8  sidechain     N             
17    0   2    2  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    6    6  stereomethyl  stereomethyl  
 2  284  106  390  overall       Total         
 3  107   42  149  backbone      Total         
 4  168   53  221  sidechain     Total         
 5    9   11   20  aromatic      Total         
 6  176   37  213  overall       H             
 7   56    3   59  backbone      H             
 8  112   32  144  sidechain     H             
 9    8    2   10  aromatic      H             
10   83   55  138  overall       C             
11   28   34   62  backbone      C             
12   55   14   69  sidechain     C             
13    0    7    7  aromatic      C             
14   25   14   39  overall       N             
15   23    5   28  backbone      N             
16    1    7    8  sidechain     N             
17    1    2    3  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     291  
 2  "Intra-residue (|i-j|=0)"                       132  
 3  "Sequential (|i-j|=1)"                           99  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             39  
 5  "Long range (|i-j|>=5)"                          18  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                54  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             11.1  
12  "Number of long range restraints per residue"   0.7  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 132   45.4  0  0.0  0.0  17   5.8   12.9  
 2  Intra-residue  BackboneBackbone     25    8.6  0  0.0  0.0   0   0.0    0.0  
 3  Intra-residue  BackboneSidechain    76   26.1  0  0.0  0.0  15   5.2   19.7  
 4  Intra-residue  SidechainSidechain   31   10.7  0  0.0  0.0   2   0.7    6.5  
 5  Sequential     all                  99   34.0  2  0.7  2.0  22   7.6   22.2  
 6  Sequential     BackboneBackbone     32   11.0  0  0.0  0.0   0   0.0    0.0  
 7  Sequential     BackboneSidechain    65   22.3  2  0.7  3.1  20   6.9   30.8  
 8  Sequential     SidechainSidechain    2    0.7  0  0.0  0.0   2   0.7  100.0  
 9  MediumRange    all                  39   13.4  1  0.3  2.6   6   2.1   15.4  
10  MediumRange    BackboneBackbone     19    6.5  0  0.0  0.0   1   0.3    5.3  
11  MediumRange    BackboneSidechain    16    5.5  1  0.3  6.2   5   1.7   31.2  
12  MediumRange    SidechainSidechain    4    1.4  0  0.0  0.0   0   0.0    0.0  
13  LongRange      all                  18    6.2  0  0.0  0.0   8   2.7   44.4  
14  LongRange      BackboneBackbone      1    0.3  0  0.0  0.0   0   0.0    0.0  
15  LongRange      BackboneSidechain     8    2.7  0  0.0  0.0   3   1.0   37.5  
16  LongRange      SidechainSidechain    9    3.1  0  0.0  0.0   5   1.7   55.6  
17  InterChain     all                   0    0.0  0  0.0  0.0   0   0.0    0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0   0   0.0    0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0   0   0.0    0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0   0   0.0    0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0   0   0.0    0.0  
22  DisulfideBond  all                   3    1.0  0  0.0  0.0   0   0.0    0.0  
23  Total          all                 291  100.0  3  1.0  1.0  53  18.2   18.2  
24  Total          BackboneBackbone     77   26.5  0  0.0  0.0   1   0.3    1.3  
25  Total          BackboneSidechain   165   56.7  3  1.0  1.8  43  14.8   26.1  
26  Total          SidechainSidechain   46   15.8  0  0.0  0.0   9   3.1   19.6  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  2.48  0.64  0.41  0.62  
 2   2  3.62  0.79  0.60  0.75  
 3   3  2.59  0.58  0.45  0.61  
 4   4  1.73  0.55  0.41  0.42  
 5   5  2.68  0.61  0.39  0.63  
 6   6  1.61  0.54  0.43  0.43  
 7   7  1.50  0.54  0.44  0.41  
 8   8  1.57  0.40  0.36  0.34  
 9   9  1.77  0.52  0.39  0.46  
10  10  1.48  0.59  0.49  0.37  
11  11  2.90  0.78  0.61  0.60  
12  12  3.33  0.74  0.49  0.71  
13  13  1.80  0.59  0.43  0.48  
14  14  3.62  0.81  0.49  0.77  
15  15  2.32  0.71  0.44  0.58  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
 1   1  intraresidue   6  
 2   1  sequential    13  
 3   1  medium         1  
 4   1  long           5  
 5   1  interchain     0  
 6   1  total         25  
 7   2  intraresidue  12  
 8   2  sequential    13  
 9   2  medium         3  
10   2  long           4  
11   2  interchain     0  
12   2  total         32  
13   3  intraresidue   4  
14   3  sequential    10  
15   3  medium         4  
16   3  long           3  
17   3  interchain     0  
18   3  total         21  
19   4  intraresidue   9  
20   4  sequential    10  
21   4  medium         2  
22   4  long           1  
23   4  interchain     0  
24   4  total         22  
25   5  intraresidue   6  
26   5  sequential    10  
27   5  medium         3  
28   5  long           0  
29   5  interchain     0  
30   5  total         19  
31   6  intraresidue   7  
32   6  sequential     9  
33   6  medium         3  
34   6  long           1  
35   6  interchain     0  
36   6  total         20  
37   7  intraresidue   3  
38   7  sequential     6  
39   7  medium         2  
40   7  long           1  
41   7  interchain     0  
42   7  total         12  
43   8  intraresidue   7  
44   8  sequential    12  
45   8  medium         3  
46   8  long           1  
47   8  interchain     0  
48   8  total         23  
49   9  intraresidue   4  
50   9  sequential    10  
51   9  medium         3  
52   9  long           0  
53   9  interchain     0  
54   9  total         17  
55  10  intraresidue   6  
56  10  sequential     9  
57  10  medium         3  
58  10  long           1  
59  10  interchain     0  
60  10  total         19  
61  11  intraresidue  10  
62  11  sequential    12  
63  11  medium         4  
64  11  long           6  
65  11  interchain     0  
66  11  total         32  
67  12  intraresidue   9  
68  12  sequential    14  
69  12  medium         4  
70  12  long           4  
71  12  interchain     0  
72  12  total         31  
73  13  intraresidue   7  
74  13  sequential    12  
75  13  medium         3  
76  13  long           2  
77  13  interchain     0  
78  13  total         24  
79  14  intraresidue   7  
80  14  sequential    10  
81  14  medium         3  
82  14  long           6  
83  14  interchain     0  
84  14  total         26  
85  15  intraresidue   7  
86  15  sequential    10  
87  15  medium         3  
88  15  long           0  
89  15  interchain     0  
90  15  total         20  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    6.7  
 2   2   13.3  
 3   3   20.0  
 4   4   26.7  
 5   5   33.3  
 6   6   40.0  
 7   7   46.7  
 8   8   53.3  
 9   9   60.0  
10  10   66.7  
11  11   73.3  
12  12   80.0  
13  13   86.7  
14  14   93.3  
15  15  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1   1  intraresidue  2  
 2   1  sequential    1  
 3   1  medium        2  
 4   1  long          1  
 5   1  interchain    0  
 6   1  total         6  
 7   2  intraresidue  2  
 8   2  sequential    3  
 9   2  medium        0  
10   2  long          1  
11   2  interchain    0  
12   2  total         6  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        0  
16   3  long          0  
17   3  interchain    0  
18   3  total         0  
19   4  intraresidue  2  
20   4  sequential    3  
21   4  medium        0  
22   4  long          2  
23   4  interchain    0  
24   4  total         7  
25   5  intraresidue  2  
26   5  sequential    2  
27   5  medium        0  
28   5  long          3  
29   5  interchain    0  
30   5  total         7  
31   6  intraresidue  4  
32   6  sequential    3  
33   6  medium        0  
34   6  long          0  
35   6  interchain    0  
36   6  total         7  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          0  
41   7  interchain    0  
42   7  total         0  
43   8  intraresidue  1  
44   8  sequential    2  
45   8  medium        1  
46   8  long          0  
47   8  interchain    0  
48   8  total         4  
49   9  intraresidue  1  
50   9  sequential    0  
51   9  medium        1  
52   9  long          1  
53   9  interchain    0  
54   9  total         3  
55  10  intraresidue  0  
56  10  sequential    4  
57  10  medium        1  
58  10  long          0  
59  10  interchain    0  
60  10  total         5  
61  11  intraresidue  1  
62  11  sequential    0  
63  11  medium        0  
64  11  long          0  
65  11  interchain    0  
66  11  total         1  
67  12  intraresidue  0  
68  12  sequential    0  
69  12  medium        0  
70  12  long          0  
71  12  interchain    0  
72  12  total         0  
73  13  intraresidue  0  
74  13  sequential    1  
75  13  medium        0  
76  13  long          0  
77  13  interchain    0  
78  13  total         1  
79  14  intraresidue  2  
80  14  sequential    1  
81  14  medium        0  
82  14  long          0  
83  14  interchain    0  
84  14  total         3  
85  15  intraresidue  0  
86  15  sequential    2  
87  15  medium        1  
88  15  long          0  
89  15  interchain    0  
90  15  total         3  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  4.9  
2  0.2-0.5  0.5  8.3  
3  >0.5     3.6  9.5  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1   60  2  .  A  11  SER  ?     1  A  11  HB3   A  .  10  ARG  10  A  1  ?     H     15  1.20  1.45  0.49  
 2   46  2  .  A  11  SER  ?     1  A  11  HB2   A  .  15  CYS  15  A  1  ?     H     15  0.77  0.66  0.28  
 3   74  2  .  A   7  HIS  ?     1  A   7  HB2   A  .   8  SER   8  A  1  ?     H     15  0.57  0.62  0.14  
 4  181  2  .  A   2  PRO  ?     1  A   2  HB3   A  .   2  PRO   2  A  1  ?     HD3   14  0.45  0.45  0.01  
 5  108  2  .  A   2  PRO  ?     1  A   2  HG2   A  .   3  ALA   3  A  1  ?     H     14  0.35  0.33  0.07  
 6   77  2  .  A   7  HIS  ?     1  A   7  HB2   A  .   7  HIS   7  A  1  ?     HD2   14  0.18  0.18  0.03  
 7  128  2  .  A  10  ARG  ?     1  A  10  HB3   A  .  11  SER  11  A  1  ?     H     13  0.32  0.20  0.25  
 8   84  2  .  A  23  CYS  ?     1  A  23  HB3   A  .  23  CYS  23  A  1  ?     H     11  0.40  0.39  0.03  
 9  135  2  .  A  10  ARG  ?     1  A  10  HG2   A  .  11  SER  11  A  1  ?     H     10  0.52  0.55  0.13  
10   32  2  .  A   8  SER  ?     1  A   8  HB2   A  .  10  ARG  10  A  1  ?     H     10  0.51  0.49  0.39  
11  125  2  .  A  14  LEU  ?     1  A  14  HB2   A  .  15  CYS  15  A  1  ?     H     10  0.44  0.43  0.03  
12  115  2  .  A  20  PRO  ?     1  A  20  HG3   A  .  21  THR  21  A  1  ?     H     10  0.33  0.33  0.04  
13   66  2  .  A  15  CYS  ?     1  A  15  HB2   A  .  16  ASN  16  A  1  ?     H     10  0.33  0.33  0.09  
14  116  2  .  A  13  LYS  ?     1  A  13  HB3   A  .  13  LYS  13  A  1  ?     H      9  0.53  0.57  0.11  
15  184  2  .  A  19  LEU  ?     1  A  19  HD21  A  .   2  PRO   2  A  1  ?     HD2    9  0.46  0.47  0.02  
16  119  2  .  A   2  PRO  ?     1  A   2  HB3   A  .   5  CYS   5  A  1  ?     H      9  0.28  0.31  0.11  
17   79  2  .  A  31  TRP  ?     1  A  31  HB3   A  .  29  ASP  29  A  1  ?     H      8  1.37  1.56  0.46  
18  157  2  .  A   4  LEU  ?     1  A   4  HD21  A  .   5  CYS   5  A  1  ?     H      8  0.82  0.65  0.65  
19  114  2  .  A  13  LYS  ?     1  A  13  HB3   A  .  14  LEU  14  A  1  ?     H      8  0.35  0.39  0.14  
20  137  2  .  A  14  LEU  ?     1  A  14  HG    A  .  14  LEU  14  A  1  ?     H      8  0.12  0.11  0.01  
21  257  2  .  A  12  LEU  ?     1  A  12  HD21  A  .  11  SER  11  A  1  ?     HB2    6  1.99  1.71  0.45  
22  263  2  .  A   4  LEU  ?     1  A   4  HD21  A  .   4  LEU   4  A  1  ?     HA     6  1.35  1.44  0.20  
23  287  2  .  A  25  ASP  ?     1  A  25  HA    A  .  26  VAL  26  A  1  ?     HG21   6  1.15  1.32  0.49  
24  217  2  .  A   4  LEU  ?     1  A   4  HD21  A  .   3  ALA   3  A  1  ?     H      6  0.92  1.06  0.47  
25  255  2  .  A  13  LYS  ?     1  A  13  HE2   A  .  13  LYS  13  A  1  ?     HA     6  0.65  0.66  0.29  
26  155  2  .  A   4  LEU  ?     1  A   4  HD21  A  .   4  LEU   4  A  1  ?     H      6  0.57  0.74  0.33  
27  188  2  .  A  19  LEU  ?     1  A  19  HD21  A  .  19  LEU  19  A  1  ?     HA     6  0.12  0.12  0.02  
28  256  2  .  A  26  VAL  ?     1  A  26  HG11  A  .  13  LYS  13  A  1  ?     HA     5  3.19  3.33  0.44  
29  284  2  .  A  26  VAL  ?     1  A  26  HG11  A  .  16  ASN  16  A  1  ?     H      5  1.82  1.91  0.28  
30  158  2  .  A  18  LEU  ?     1  A  18  HD21  A  .  17  ARG  17  A  1  ?     H      5  1.68  2.02  0.81  
31  281  2  .  A  16  ASN  ?     1  A  16  HB3   A  .  26  VAL  26  A  1  ?     HG11   5  1.00  1.05  0.42  
32  161  2  .  A  26  VAL  ?     1  A  26  HG21  A  .  26  VAL  26  A  1  ?     H      5  0.91  0.95  0.05  
33   63  2  .  A   8  SER  ?     1  A   8  HB3   A  .   7  HIS   7  A  1  ?     HD2    5  0.55  0.29  0.44  
34  147  2  .  A  13  LYS  ?     1  A  13  HG2   A  .  13  LYS  13  A  1  ?     H      5  0.17  0.18  0.01  
35  213  2  .  A  10  ARG  ?     1  A  10  HB2   A  .   9  CYS   9  A  1  ?     H      4  1.08  1.08  0.03  
36  153  2  .  A  18  LEU  ?     1  A  18  HD21  A  .  18  LEU  18  A  1  ?     H      4  0.79  0.87  0.30  
37  280  2  .  A  16  ASN  ?     1  A  16  HB2   A  .  26  VAL  26  A  1  ?     HG11   4  0.58  0.56  0.15  
38  219  2  .  A  23  CYS  ?     1  A  23  HB2   A  .  16  ASN  16  A  1  ?     H      4  0.24  0.24  0.04  
39  121  2  .  A  10  ARG  ?     1  A  10  HB2   A  .  10  ARG  10  A  1  ?     H      4  0.19  0.18  0.01  
40   72  2  .  A   5  CYS  ?     1  A   5  HB2   A  .   6  SER   6  A  1  ?     H      4  0.18  0.18  0.07  
41  273  2  .  A   2  PRO  ?     1  A   2  HB2   A  .   3  ALA   3  A  1  ?     H      4  0.17  0.17  0.06  
42  156  2  .  A  12  LEU  ?     1  A  12  HD21  A  .  13  LYS  13  A  1  ?     H      2  0.74  0.74  0.61  
43   75  2  .  A   7  HIS  ?     1  A   7  HB2   A  .   6  SER   6  A  1  ?     H      2  0.72  0.72  0.07  
44   76  2  .  A   7  HIS  ?     1  A   7  HB2   A  .   7  HIS   7  A  1  ?     H      2  0.59  0.59  0.02  
45  227  2  .  A  10  ARG  ?     1  A  10  HD2   A  .  11  SER  11  A  1  ?     H      2  0.46  0.46  0.10  
46   99  2  .  A  29  ASP  ?     1  A  29  HB2   A  .  29  ASP  29  A  1  ?     H      2  0.20  0.20  0.01  
47  286  2  .  A  16  ASN  ?     1  A  16  HD21  A  .  26  VAL  26  A  1  ?     HG21   2  0.17  0.17  0.04  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1  256  2   57   44  HG11  HA    3.62  
  2  256  2  429  416  HG11  HA    3.62  
  3  256  2  367  354  HG11  HA    3.33  
  4  256  2  336  323  HG11  HA    2.90  
  5  257  2  136  135  HD21  HB2   2.68  
  6  257  2   74   73  HD21  HB2   2.59  
  7  256  2   26   13  HG11  HA    2.48  
  8  158  2  452  451  HD21  H     2.32  
  9  158  2   49   48  HD21  H     2.17  
 10  284  2  429  419  HG11  H     2.11  
 11  158  2   18   17  HD21  H     2.02  
 12  284  2   57   47  HG11  H     2.01  
 13  157  2  345  346  HD21  H     2.01  
 14  284  2  367  357  HG11  H     1.91  
 15  158  2  390  389  HD21  H     1.80  
 16  284  2  336  326  HG11  H     1.79  
 17   79  2  279  277  HB3   H     1.77  
 18  157  2  314  315  HD21  H     1.75  
 19  257  2  105  104  HD21  HB2   1.73  
 20   79  2   93   91  HB3   H     1.71  
 21  257  2  384  383  HD21  HB2   1.68  
 22  257  2  446  445  HD21  HB2   1.68  
 23  257  2  167  166  HD21  HB2   1.61  
 24   79  2  403  401  HB3   H     1.57  
 25   79  2  434  432  HB3   H     1.57  
 26   60  2   73   72  HB3   H     1.57  
 27   60  2  228  227  HB3   H     1.57  
 28   60  2  259  258  HB3   H     1.56  
 29  263  2  314  314  HD21  HA    1.55  
 30   79  2  465  463  HB3   H     1.55  
 31  287  2   56   57  HA    HG21  1.53  
 32  263  2  345  345  HD21  HA    1.52  
 33   60  2  135  134  HB3   H     1.52  
 34   60  2  352  351  HB3   H     1.51  
 35  287  2   25   26  HA    HG21  1.50  
 36  287  2  428  429  HA    HG21  1.50  
 37   60  2  197  196  HB3   H     1.50  
 38   60  2  290  289  HB3   H     1.48  
 39  263  2   35   35  HD21  HA    1.46  
 40   60  2   11   10  HB3   H     1.45  
 41  281  2  419  429  HB3   HG11  1.44  
 42  217  2  283  282  HD21  H     1.44  
 43  263  2  159  159  HD21  HA    1.43  
 44   60  2  414  413  HB3   H     1.43  
 45   60  2  321  320  HB3   H     1.40  
 46   79  2  341  339  HB3   H     1.39  
 47   60  2   42   41  HB3   H     1.36  
 48  281  2   47   57  HB3   HG11  1.35  
 49  156  2  136  137  HD21  H     1.35  
 50  217  2   97   96  HD21  H     1.34  
 51  284  2   26   16  HG11  H     1.30  
 52   46  2  166  170  HB2   H     1.26  
 53   46  2  383  387  HB2   H     1.25  
 54  217  2  345  344  HD21  H     1.24  
 55   79  2  217  215  HB3   H     1.19  
 56   46  2  445  449  HB2   H     1.16  
 57  287  2  335  336  HA    HG21  1.15  
 58  287  2  366  367  HA    HG21  1.12  
 59   46  2  104  108  HB2   H     1.12  
 60  213  2  134  133  HB2   H     1.11  
 61  213  2  444  443  HB2   H     1.10  
 62   63  2  318  317  HB3   HD2   1.10  
 63  153  2  452  452  HD21  H     1.09  
 64  263  2   97   97  HD21  HA    1.08  
 65   63  2   39   38  HB3   HD2   1.07  
 66  213  2  413  412  HB2   H     1.06  
 67  281  2  357  367  HB3   HG11  1.05  
 68  263  2  283  283  HD21  HA    1.05  
 69  213  2  351  350  HB2   H     1.05  
 70  153  2   49   49  HD21  H     1.03  
 71  255  2  168  168  HE2   HA    1.00  
 72  161  2   26   26  HG21  H     0.96  
 73  161  2   57   57  HG21  H     0.96  
 74  161  2  429  429  HG21  H     0.95  
 75  155  2  345  345  HD21  H     0.95  
 76   32  2  318  320  HB2   H     0.95  
 77   32  2  411  413  HB2   H     0.93  
 78  255  2  230  230  HE2   HA    0.92  
 79   32  2  256  258  HB2   H     0.90  
 80  217  2  314  313  HD21  H     0.88  
 81  281  2  326  336  HB3   HG11  0.87  
 82   32  2  225  227  HB2   H     0.87  
 83   32  2   39   41  HB2   H     0.86  
 84  161  2  336  336  HG21  H     0.85  
 85  161  2  367  367  HG21  H     0.84  
 86  280  2  419  429  HB2   HG11  0.80  
 87  157  2   97   98  HD21  H     0.78  
 88  155  2  283  283  HD21  H     0.78  
 89   75  2  317  316  HB2   H     0.78  
 90   46  2  197  201  HB2   H     0.78  
 91   46  2  290  294  HB2   H     0.78  
 92  155  2   97   97  HD21  H     0.77  
 93  128  2  413  414  HB3   H     0.73  
 94   74  2  317  318  HB2   H     0.72  
 95  255  2  385  385  HE2   HA    0.71  
 96  155  2  314  314  HD21  H     0.71  
 97  153  2  390  390  HD21  H     0.71  
 98  128  2  134  135  HB3   H     0.71  
 99   74  2   69   70  HB2   H     0.71  
100   46  2  414  418  HB2   H     0.70  
101   74  2  131  132  HB2   H     0.67  
102   74  2  379  380  HB2   H     0.67  
103  157  2   35   36  HD21  H     0.66  
104  128  2  351  352  HB3   H     0.66  
105   46  2   73   77  HB2   H     0.66  
106  128  2  444  445  HB3   H     0.65  
107   75  2   38   37  HB2   H     0.65  
108   74  2    7    8  HB2   H     0.65  
109   74  2   38   39  HB2   H     0.64  
110   46  2   42   46  HB2   H     0.64  
111  280  2   47   57  HB2   HG11  0.63  
112  157  2  283  284  HD21  H     0.63  
113  135  2  165  166  HG2   H     0.62  
114   74  2  162  163  HB2   H     0.62  
115   74  2  224  225  HB2   H     0.62  
116   74  2  441  442  HB2   H     0.62  
117   46  2  228  232  HB2   H     0.62  
118  255  2  106  106  HE2   HA    0.61  
119  135  2   10   11  HG2   H     0.61  
120   76  2  317  317  HB2   H     0.61  
121   46  2   11   15  HB2   H     0.61  
122   46  2  321  325  HB2   H     0.61  
123  135  2  258  259  HG2   H     0.59  
124  116  2  447  447  HB3   H     0.59  
125  116  2  354  354  HB3   H     0.58  
126   74  2  348  349  HB2   H     0.58  
127  116  2   13   13  HB3   H     0.57  
128  116  2  106  106  HB3   H     0.57  
129  116  2  199  199  HB3   H     0.57  
130  116  2  292  292  HB3   H     0.57  
131   76  2   38   38  HB2   H     0.57  
132  154  2  136  136  HD21  H     0.56  
133  135  2  320  321  HG2   H     0.56  
134  116  2  385  385  HB3   H     0.56  
135  227  2  382  383  HD2   H     0.55  
136  135  2  289  290  HG2   H     0.55  
137  135  2  382  383  HG2   H     0.55  
138  116  2   75   75  HB3   H     0.55  
139  114  2  292  293  HB3   H     0.54  
140  135  2   72   73  HG2   H     0.53  
141  135  2  196  197  HG2   H     0.53  
142  255  2  323  323  HE2   HA    0.52  
143  125  2  417  418  HB2   H     0.50  
144   60  2  166  165  HB3   H     0.50  
145   46  2  259  263  HB2   H     0.50  
146   46  2  352  356  HB2   H     0.50  
147  280  2  357  367  HB2   HG11  0.49  
148  184  2  391  374  HD21  HD2   0.49  
149  125  2   45   46  HB2   H     0.49  
150  114  2   75   76  HB3   H     0.49  
151   74  2  286  287  HB2   H     0.49  
152  184  2  112   95  HD21  HD2   0.48  
153  184  2  236  219  HD21  HD2   0.48  
154  119  2   64   67  HB3   H     0.48  
155   74  2  410  411  HB2   H     0.48  
156  184  2  174  157  HD21  HD2   0.47  
157  184  2  298  281  HD21  HD2   0.47  
158  135  2  227  228  HG2   H     0.47  
159  108  2   33   34  HG2   H     0.47  
160   66  2  263  264  HB2   H     0.47  
161  184  2  329  312  HD21  HD2   0.46  
162  181  2  219  219  HB3   HD3   0.46  
163  181  2  281  281  HB3   HD3   0.46  
164  181  2  312  312  HB3   HD3   0.46  
165  157  2  159  160  HD21  H     0.46  
166  184  2   81   64  HD21  HD2   0.45  
167  181  2    2    2  HB3   HD3   0.45  
168  181  2  250  250  HB3   HD3   0.45  
169  181  2  405  405  HB3   HD3   0.45  
170  181  2  436  436  HB3   HD3   0.45  
171  125  2   76   77  HB2   H     0.45  
172  125  2  355  356  HB2   H     0.45  
173  108  2  126  127  HG2   H     0.45  
174  184  2  422  405  HD21  HD2   0.44  
175  181  2   64   64  HB3   HD3   0.44  
176  181  2   95   95  HB3   HD3   0.44  
177  181  2  126  126  HB3   HD3   0.44  
178  181  2  157  157  HB3   HD3   0.44  
179  181  2  343  343  HB3   HD3   0.44  
180  181  2  374  374  HB3   HD3   0.44  
181  114  2  199  200  HB3   H     0.44  
182   84  2   54   54  HB3   H     0.44  
183   84  2  333  333  HB3   H     0.44  
184   84  2  457  457  HB3   H     0.44  
185  181  2   33   33  HB3   HD3   0.43  
186  125  2  107  108  HB2   H     0.43  
187  125  2  448  449  HB2   H     0.43  
188   74  2  193  194  HB2   H     0.43  
189   66  2  294  295  HB2   H     0.43  
190   66  2  449  450  HB2   H     0.43  
191  184  2   19    2  HD21  HD2   0.42  
192  125  2  169  170  HB2   H     0.42  
193  125  2  386  387  HB2   H     0.42  
194  115  2   82   83  HG3   H     0.42  
195  280  2  326  336  HB2   HG11  0.41  
196  125  2   14   15  HB2   H     0.41  
197  125  2  262  263  HB2   H     0.41  
198  108  2    2    3  HG2   H     0.41  
199  108  2  157  158  HG2   H     0.41  
200   84  2  302  302  HB3   H     0.41  
201   84  2  426  426  HB3   H     0.41  
202  114  2   13   14  HB3   H     0.39  
203  108  2   95   96  HG2   H     0.39  
204  108  2  250  251  HG2   H     0.39  
205   84  2  147  147  HB3   H     0.39  
206   84  2  240  240  HB3   H     0.39  
207   84  2  364  364  HB3   H     0.39  
208   66  2  325  326  HB2   H     0.39  
209   60  2  445  444  HB3   H     0.39  
210  217  2   35   34  HD21  H     0.38  
211  114  2  385  386  HB3   H     0.38  
212   84  2  116  116  HB3   H     0.38  
213   84  2  178  178  HB3   H     0.38  
214   46  2  135  139  HB2   H     0.38  
215   66  2  232  233  HB2   H     0.37  
216  227  2  227  228  HD2   H     0.36  
217  115  2  237  238  HG3   H     0.36  
218  115  2  392  393  HG3   H     0.36  
219   74  2  100  101  HB2   H     0.36  
220   60  2  383  382  HB3   H     0.36  
221  119  2  312  315  HB3   H     0.35  
222  119  2  374  377  HB3   H     0.35  
223  115  2  113  114  HG3   H     0.35  
224  108  2  374  375  HG2   H     0.35  
225   60  2  104  103  HB3   H     0.34  
226  153  2   18   18  HD21  H     0.33  
227  115  2  330  331  HG3   H     0.33  
228  115  2  361  362  HG3   H     0.33  
229  119  2  436  439  HB3   H     0.32  
230   84  2  271  271  HB3   H     0.32  
231  119  2  281  284  HB3   H     0.31  
232  115  2  268  269  HG3   H     0.31  
233  115  2  423  424  HG3   H     0.31  
234  108  2  312  313  HG2   H     0.31  
235  115  2  206  207  HG3   H     0.30  
236  108  2  405  406  HG2   H     0.30  
237  219  2   23   16  HB2   H     0.29  
238  108  2  219  220  HG2   H     0.29  
239  108  2  281  282  HG2   H     0.29  
240  108  2  343  344  HG2   H     0.29  
241   63  2  256  255  HB3   HD2   0.29  
242  119  2  157  160  HB3   H     0.28  
243  115  2  299  300  HG3   H     0.28  
244  108  2  436  437  HG2   H     0.28  
245   66  2  356  357  HB2   H     0.28  
246  281  2   16   26  HB3   HG11  0.27  
247  219  2  395  388  HB2   H     0.26  
248  114  2  447  448  HB3   H     0.26  
249  108  2   64   65  HG2   H     0.26  
250   72  2  346  347  HB2   H     0.26  
251   66  2  418  419  HB2   H     0.26  
252  273  2   33   34  HB2   H     0.25  
253   77  2  317  317  HB2   HD2   0.25  
254   72  2   36   37  HB2   H     0.25  
255  128  2  103  104  HB3   H     0.24  
256  128  2  258  259  HB3   H     0.24  
257   79  2  372  370  HB3   H     0.24  
258   77  2   38   38  HB2   HD2   0.24  
259  219  2  209  202  HB2   H     0.23  
260   66  2  139  140  HB2   H     0.23  
261  273  2  126  127  HB2   H     0.22  
262  217  2  159  158  HD21  H     0.22  
263  116  2  323  323  HB3   H     0.22  
264   77  2  410  410  HB2   HD2   0.22  
265   74  2  255  256  HB2   H     0.22  
266   66  2  387  388  HB2   H     0.22  
267   66  2   15   16  HB2   H     0.21  
268  286  2  326  336  HD21  HG21  0.20  
269  128  2  165  166  HB3   H     0.20  
270  121  2  444  444  HB2   H     0.20  
271   99  2   60   60  HB2   H     0.20  
272   77  2  255  255  HB2   HD2   0.20  
273  219  2   85   78  HB2   H     0.19  
274  121  2  413  413  HB2   H     0.19  
275   99  2  246  246  HB2   H     0.19  
276   77  2  224  224  HB2   HD2   0.19  
277  147  2   44   44  HG2   H     0.18  
278  147  2  137  137  HG2   H     0.18  
279  147  2  416  416  HG2   H     0.18  
280  121  2  134  134  HB2   H     0.18  
281  121  2  351  351  HB2   H     0.18  
282   77  2  100  100  HB2   HD2   0.18  
283   77  2  131  131  HB2   HD2   0.18  
284   77  2  286  286  HB2   HD2   0.18  
285  157  2    4    5  HD21  H     0.17  
286  147  2  230  230  HG2   H     0.17  
287  119  2   95   98  HB3   H     0.17  
288   77  2  193  193  HB2   HD2   0.17  
289   77  2  441  441  HB2   HD2   0.17  
290  147  2  168  168  HG2   H     0.16  
291  135  2   41   42  HG2   H     0.16  
292  128  2  227  228  HB3   H     0.16  
293  119  2  219  222  HB3   H     0.16  
294  114  2  354  355  HB3   H     0.16  
295   77  2  348  348  HB2   HD2   0.16  
296   63  2  411  410  HB3   HD2   0.16  
297  188  2  205  205  HD21  HA    0.15  
298  182  2   81   64  HB3   HD2   0.15  
299  137  2  355  355  HG    H     0.15  
300  128  2   72   73  HB3   H     0.15  
301   77  2  379  379  HB2   HD2   0.15  
302  114  2  106  107  HB3   H     0.14  
303  286  2  419  429  HD21  HG21  0.13  
304  188  2   81   81  HD21  HA    0.13  
305  157  2  221  222  HD21  H     0.13  
306  137  2  262  262  HG    H     0.13  
307  128  2  196  197  HB3   H     0.13  
308  119  2   33   36  HB3   H     0.13  
309   77  2    7    7  HB2   HD2   0.13  
310   77  2  162  162  HB2   HD2   0.13  
311   32  2  132  134  HB2   H     0.13  
312  287  2  242  243  HA    HG21  0.12  
313  228  2  351  352  HG3   H     0.12  
314  188  2  112  112  HD21  HA    0.12  
315  188  2  391  391  HD21  HA    0.12  
316  156  2   74   75  HD21  H     0.12  
317  155  2   35   35  HD21  H     0.12  
318  137  2   45   45  HG    H     0.12  
319  137  2   76   76  HG    H     0.12  
320  128  2  382  383  HB3   H     0.12  
321   72  2  129  130  HB2   H     0.12  
322   63  2  225  224  HB3   HD2   0.12  
323  288  2  126  128  HG2   H     0.11  
324  273  2    2    3  HB2   H     0.11  
325  273  2  250  251  HB2   H     0.11  
326  258  2  354  351  H     HA    0.11  
327  255  2   44   44  HE2   HA    0.11  
328  188  2  453  453  HD21  HA    0.11  
329  155  2  159  159  HD21  H     0.11  
330  137  2   14   14  HG    H     0.11  
331  137  2  107  107  HG    H     0.11  
332  137  2  417  417  HG    H     0.11  
333  128  2   10   11  HB3   H     0.11  
334  128  2  320  321  HB3   H     0.11  
335   72  2    5    6  HB2   H     0.11  
336   57  2  223  223  HB2   H     0.11  
337   32  2   70   72  HB2   H     0.11  
338   32  2  163  165  HB2   H     0.11  
339   32  2  287  289  HB2   H     0.11  
340   32  2  349  351  HB2   H     0.11  
341  188  2  329  329  HD21  HA    0.10  
342  158  2  235  234  HD21  H     0.10  
343  137  2  386  386  HG    H     0.10  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PSI    27   50.0  1  1.9  3.7  11  20.4  40.7  
2  PHI    27   50.0  0  0.0  0.0   7  13.0  25.9  
3  Total  54  100.0  1  1.9  1.9  18  33.3  33.3  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  12.42  4.77  3.28  3.91  
 2   2   9.45  3.56  2.46  2.75  
 3   3  12.86  3.65  1.85  3.50  
 4   4   7.78  3.83  3.47  2.00  
 5   5  12.82  4.86  2.48  4.12  
 6   6   8.51  4.01  4.45  2.73  
 7   7  11.56  3.21  1.90  3.19  
 8   8  11.37  2.72  1.82  2.70  
 9   9  10.69  3.27  2.45  2.74  
10  10  11.46  3.65  2.59  3.26  
11  11  11.72  4.93  3.30  3.41  
12  12  11.58  3.40  2.06  3.00  
13  13  12.68  3.41  2.37  3.27  
14  14  13.01  5.32  4.21  4.01  
15  15  10.88  3.24  2.00  3.02  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PSI     2  
 2   1  PHI     3  
 3   1  Total   5  
 4   2  PSI     3  
 5   2  PHI     3  
 6   2  Total   6  
 7   3  PSI     5  
 8   3  PHI     4  
 9   3  Total   9  
10   4  PSI     4  
11   4  PHI     2  
12   4  Total   6  
13   5  PSI     2  
14   5  PHI     3  
15   5  Total   5  
16   6  PSI     3  
17   6  PHI     2  
18   6  Total   5  
19   7  PSI     6  
20   7  PHI     2  
21   7  Total   8  
22   8  PSI     7  
23   8  PHI     5  
24   8  Total  12  
25   9  PSI     5  
26   9  PHI     4  
27   9  Total   9  
28  10  PSI     4  
29  10  PHI     3  
30  10  Total   7  
31  11  PSI     3  
32  11  PHI     2  
33  11  Total   5  
34  12  PSI     5  
35  12  PHI     4  
36  12  Total   9  
37  13  PSI     6  
38  13  PHI     4  
39  13  Total  10  
40  14  PSI     3  
41  14  PHI     2  
42  14  Total   5  
43  15  PSI     5  
44  15  PHI     3  
45  15  Total   8  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    6.7  
 2   2   13.3  
 3   3   20.0  
 4   4   26.7  
 5   5   33.3  
 6   6   40.0  
 7   7   46.7  
 8   8   53.3  
 9   9   60.0  
10  10   66.7  
11  11   73.3  
12  12   80.0  
13  13   86.7  
14  14   93.3  
15  15  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PSI    3  
 2   1  PHI    1  
 3   1  Total  4  
 4   2  PSI    1  
 5   2  PHI    1  
 6   2  Total  2  
 7   3  PSI    1  
 8   3  PHI    1  
 9   3  Total  2  
10   4  PSI    0  
11   4  PHI    0  
12   4  Total  0  
13   5  PSI    2  
14   5  PHI    0  
15   5  Total  2  
16   6  PSI    1  
17   6  PHI    1  
18   6  Total  2  
19   7  PSI    0  
20   7  PHI    0  
21   7  Total  0  
22   8  PSI    0  
23   8  PHI    0  
24   8  Total  0  
25   9  PSI    0  
26   9  PHI    1  
27   9  Total  1  
28  10  PSI    0  
29  10  PHI    0  
30  10  Total  0  
31  11  PSI    1  
32  11  PHI    0  
33  11  Total  1  
34  12  PSI    0  
35  12  PHI    1  
36  12  Total  1  
37  13  PSI    1  
38  13  PHI    1  
39  13  Total  2  
40  14  PSI    0  
41  14  PHI    0  
42  14  Total  0  
43  15  PSI    1  
44  15  PHI    0  
45  15  Total  1  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   9.4   6.5   
2  10.0-20.0  13.0  0.8   
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
 1  12  1  .  A   8  SER  ?     1  A   8  N  A  .   8  SER   8  A  1  ?     CA  .  A   8  SER  ?     1  A   8  C   A  .   9  CYS   9  A  1  ?     N  15  11.25  11.56  1.53  
 2  13  1  .  A   8  SER  ?     1  A   8  C  A  .   9  CYS   9  A  1  ?     N   .  A   9  CYS  ?     1  A   9  CA  A  .   9  CYS   9  A  1  ?     C  13   3.42   3.21  1.16  
 3  44  1  .  A  25  ASP  ?     1  A  25  N  A  .  25  ASP  25  A  1  ?     CA  .  A  25  ASP  ?     1  A  25  C   A  .  26  VAL  26  A  1  ?     N  13   3.10   3.22  1.15  
 4  45  1  .  A  25  ASP  ?     1  A  25  C  A  .  26  VAL  26  A  1  ?     N   .  A  26  VAL  ?     1  A  26  CA  A  .  26  VAL  26  A  1  ?     C  12   2.85   2.96  1.14  
 5  36  1  .  A  20  PRO  ?     1  A  20  N  A  .  20  PRO  20  A  1  ?     CA  .  A  20  PRO  ?     1  A  20  C   A  .  21  THR  21  A  1  ?     N  11   2.68   2.77  0.63  
 6  23  1  .  A  13  LYS  ?     1  A  13  C  A  .  14  LEU  14  A  1  ?     N   .  A  14  LEU  ?     1  A  14  CA  A  .  14  LEU  14  A  1  ?     C   9   1.78   1.75  0.43  
 7  18  1  .  A  11  SER  ?     1  A  11  N  A  .  11  SER  11  A  1  ?     CA  .  A  11  SER  ?     1  A  11  C   A  .  12  LEU  12  A  1  ?     N   6   2.06   1.90  0.34  
 8  37  1  .  A  20  PRO  ?     1  A  20  C  A  .  21  THR  21  A  1  ?     N   .  A  21  THR  ?     1  A  21  CA  A  .  21  THR  21  A  1  ?     C   6   1.79   1.56  0.67  
 9  48  1  .  A  27  CYS  ?     1  A  27  N  A  .  27  CYS  27  A  1  ?     CA  .  A  27  CYS  ?     1  A  27  C   A  .  28  ASP  28  A  1  ?     N   5   2.57   2.74  0.67  
10  20  1  .  A  12  LEU  ?     1  A  12  N  A  .  12  LEU  12  A  1  ?     CA  .  A  12  LEU  ?     1  A  12  C   A  .  13  LYS  13  A  1  ?     N   5   1.63   1.68  0.24  
11  49  1  .  A  27  CYS  ?     1  A  27  C  A  .  28  ASP  28  A  1  ?     N   .  A  28  ASP  ?     1  A  28  CA  A  .  28  ASP  28  A  1  ?     C   3   2.02   1.81  0.75  
12  10  1  .  A   7  HIS  ?     1  A   7  N  A  .   7  HIS   7  A  1  ?     CA  .  A   7  HIS  ?     1  A   7  C   A  .   8  SER   8  A  1  ?     N   3   1.26   1.19  0.22  
13   5  1  .  A   4  LEU  ?     1  A   4  C  A  .   5  CYS   5  A  1  ?     N   .  A   5  CYS  ?     1  A   5  CA  A  .   5  CYS   5  A  1  ?     C   2   1.92   1.92  0.43  
14  46  1  .  A  26  VAL  ?     1  A  26  N  A  .  26  VAL  26  A  1  ?     CA  .  A  26  VAL  ?     1  A  26  C   A  .  27  CYS  27  A  1  ?     N   2   1.48   1.48  0.01  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
  1  12  1  411  411  411  412  N  CA  C   N  13.01  
  2  12  1   70   70   70   71  N  CA  C   N  12.86  
  3  12  1  132  132  132  133  N  CA  C   N  12.82  
  4  12  1  380  380  380  381  N  CA  C   N  12.68  
  5  12  1    8    8    8    9  N  CA  C   N  12.42  
  6  12  1  318  318  318  319  N  CA  C   N  11.72  
  7  12  1  349  349  349  350  N  CA  C   N  11.58  
  8  12  1  194  194  194  195  N  CA  C   N  11.56  
  9  12  1  287  287  287  288  N  CA  C   N  11.46  
 10  12  1  225  225  225  226  N  CA  C   N  11.37  
 11  12  1  442  442  442  443  N  CA  C   N  10.88  
 12  12  1  256  256  256  257  N  CA  C   N  10.69  
 13  12  1   39   39   39   40  N  CA  C   N   9.45  
 14  12  1  163  163  163  164  N  CA  C   N   8.51  
 15  12  1  101  101  101  102  N  CA  C   N   7.78  
 16  13  1   70   71   71   71  C  N   CA  C   5.69  
 17  13  1  132  133  133  133  C  N   CA  C   4.87  
 18  13  1  380  381  381  381  C  N   CA  C   4.87  
 19  44  1  428  428  428  429  N  CA  C   N   4.78  
 20  44  1  180  180  180  181  N  CA  C   N   4.77  
 21  45  1  180  181  181  181  C  N   CA  C   4.45  
 22  44  1  118  118  118  119  N  CA  C   N   4.38  
 23  44  1  459  459  459  460  N  CA  C   N   4.22  
 24  45  1  428  429  429  429  C  N   CA  C   4.21  
 25  13  1    8    9    9    9  C  N   CA  C   4.09  
 26  45  1  118  119  119  119  C  N   CA  C   3.94  
 27  45  1   56   57   57   57  C  N   CA  C   3.83  
 28  13  1  287  288  288  288  C  N   CA  C   3.67  
 29  45  1  335  336  336  336  C  N   CA  C   3.64  
 30  45  1  366  367  367  367  C  N   CA  C   3.61  
 31  13  1  349  350  350  350  C  N   CA  C   3.47  
 32  36  1  268  268  268  269  N  CA  C   N   3.46  
 33  36  1  392  392  392  393  N  CA  C   N   3.42  
 34  48  1  275  275  275  276  N  CA  C   N   3.39  
 35  44  1  335  335  335  336  N  CA  C   N   3.30  
 36  44  1   25   25   25   26  N  CA  C   N   3.28  
 37  44  1  366  366  366  367  N  CA  C   N   3.22  
 38  13  1  318  319  319  319  C  N   CA  C   3.21  
 39  37  1   82   83   83   83  C  N   CA  C   3.18  
 40  13  1  411  412  412  412  C  N   CA  C   3.13  
 41  48  1  244  244  244  245  N  CA  C   N   3.12  
 42  36  1  206  206  206  207  N  CA  C   N   3.11  
 43  36  1   82   82   82   83  N  CA  C   N   3.04  
 44  13  1  225  226  226  226  C  N   CA  C   3.03  
 45  49  1  275  276  276  276  C  N   CA  C   3.02  
 46  36  1  113  113  113  114  N  CA  C   N   3.01  
 47  36  1  330  330  330  331  N  CA  C   N   2.77  
 48  36  1  299  299  299  300  N  CA  C   N   2.76  
 49  48  1  399  399  399  400  N  CA  C   N   2.74  
 50  36  1  237  237  237  238  N  CA  C   N   2.67  
 51  44  1  304  304  304  305  N  CA  C   N   2.59  
 52  18  1  383  383  383  384  N  CA  C   N   2.59  
 53  44  1   56   56   56   57  N  CA  C   N   2.58  
 54  23  1  230  231  231  231  C  N   CA  C   2.49  
 55  44  1  149  149  149  150  N  CA  C   N   2.48  
 56  18  1  445  445  445  446  N  CA  C   N   2.47  
 57  13  1  256  257  257  257  C  N   CA  C   2.45  
 58  13  1  194  195  195  195  C  N   CA  C   2.41  
 59  14  1  102  102  102  103  N  CA  C   N   2.36  
 60   5  1   35   36   36   36  C  N   CA  C   2.35  
 61  45  1  149  150  150  150  C  N   CA  C   2.31  
 62  31  1  451  452  452  452  C  N   CA  C   2.31  
 63  23  1   13   14   14   14  C  N   CA  C   2.27  
 64  23  1  261  262  262  262  C  N   CA  C   2.21  
 65  44  1  397  397  397  398  N  CA  C   N   2.14  
 66  36  1  361  361  361  362  N  CA  C   N   2.06  
 67  18  1  352  352  352  353  N  CA  C   N   1.95  
 68  48  1  368  368  368  369  N  CA  C   N   1.94  
 69  20  1  198  198  198  199  N  CA  C   N   1.92  
 70  45  1  397  398  398  398  C  N   CA  C   1.91  
 71  37  1  206  207  207  207  C  N   CA  C   1.87  
 72  18  1   73   73   73   74  N  CA  C   N   1.85  
 73  13  1   39   40   40   40  C  N   CA  C   1.85  
 74  20  1   74   74   74   75  N  CA  C   N   1.83  
 75  18  1  228  228  228  229  N  CA  C   N   1.83  
 76  49  1  244  245  245  245  C  N   CA  C   1.81  
 77  23  1  137  138  138  138  C  N   CA  C   1.80  
 78  45  1   25   26   26   26  C  N   CA  C   1.77  
 79  23  1  292  293  293  293  C  N   CA  C   1.75  
 80  36  1  454  454  454  455  N  CA  C   N   1.70  
 81  20  1  291  291  291  292  N  CA  C   N   1.68  
 82  18  1  197  197  197  198  N  CA  C   N   1.68  
 83  13  1  442  443  443  443  C  N   CA  C   1.68  
 84  48  1  213  213  213  214  N  CA  C   N   1.64  
 85  45  1  304  305  305  305  C  N   CA  C   1.62  
 86  37  1  268  269  269  269  C  N   CA  C   1.59  
 87  23  1  354  355  355  355  C  N   CA  C   1.56  
 88  10  1   69   69   69   70  N  CA  C   N   1.56  
 89  37  1  392  393  393  393  C  N   CA  C   1.54  
 90  37  1  113  114  114  114  C  N   CA  C   1.52  
 91  23  1   75   76   76   76  C  N   CA  C   1.50  
 92  46  1  212  212  212  213  N  CA  C   N   1.49  
 93   5  1  221  222  222  222  C  N   CA  C   1.49  
 94  45  1  459  460  460  460  C  N   CA  C   1.48  
 95  36  1  423  423  423  424  N  CA  C   N   1.48  
 96  46  1  274  274  274  275  N  CA  C   N   1.47  
 97  20  1  229  229  229  230  N  CA  C   N   1.43  
 98  45  1   87   88   88   88  C  N   CA  C   1.38  
 99  44  1  242  242  242  243  N  CA  C   N   1.35  
100  20  1   43   43   43   44  N  CA  C   N   1.29  
101  23  1  168  169  169  169  C  N   CA  C   1.27  
102  49  1  368  369  369  369  C  N   CA  C   1.23  
103  23  1  385  386  386  386  C  N   CA  C   1.21  
104  44  1  273  273  273  274  N  CA  C   N   1.19  
105  10  1  441  441  441  442  N  CA  C   N   1.19  
106  52  1  184  184  184  185  N  CA  C   N   1.06  
107  50  1  245  245  245  246  N  CA  C   N   1.05  
108  37  1  237  238  238  238  C  N   CA  C   1.03  
109  10  1  379  379  379  380  N  CA  C   N   1.03  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.35                                                                  Y  
3  chemicalshiftanalysis  2.35                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
