data_2NAY

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2NAY   
BMRB  25954  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2NAY
_pdbx_vrpt_summary.PDB_deposition_date         2016-01-14
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:21:11
_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  "Conotoxin Bt1.8"
#
_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  16.22  158937  ?     ?     
2  2  1  40.49   12864  ?     ?     
3  1  2   0.38  154571  ?     ?     
4  2  2   3.55   11451  ?     ?     
5  1  3  11.75  154315  ?     ?     
6  2  3  57.60   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   0.06  
 2  4  2  A   1  1  A   0.06  
 3  5  3  A   1  1  A   3.02  
 4  6  3  A   1  1  A   3.02  
 5  3  2  A   2  1  A   0.18  
 6  4  2  A   2  1  A   0.18  
 7  5  3  A   2  1  A  14.45  
 8  6  3  A   2  1  A  14.45  
 9  3  2  A   3  1  A   0.06  
10  4  2  A   3  1  A   0.06  
11  5  3  A   3  1  A  14.45  
12  6  3  A   3  1  A  14.45  
13  3  2  A   4  1  A   0.02  
14  4  2  A   4  1  A   0.02  
15  5  3  A   4  1  A   3.02  
16  6  3  A   4  1  A   3.02  
17  3  2  A   5  1  A   1.02  
18  4  2  A   5  1  A   1.02  
19  5  3  A   5  1  A   3.02  
20  6  3  A   5  1  A   3.02  
21  3  2  A   6  1  A   0.06  
22  4  2  A   6  1  A   0.06  
23  5  3  A   6  1  A  14.45  
24  6  3  A   6  1  A  14.45  
25  3  2  A   7  1  A   0.06  
26  4  2  A   7  1  A   0.06  
27  5  3  A   7  1  A  14.45  
28  6  3  A   7  1  A  14.45  
29  3  2  A   8  1  A   1.02  
30  4  2  A   8  1  A   1.02  
31  5  3  A   8  1  A  14.45  
32  6  3  A   8  1  A  14.45  
33  3  2  A   9  1  A   0.18  
34  4  2  A   9  1  A   0.18  
35  5  3  A   9  1  A  14.45  
36  6  3  A   9  1  A  14.45  
37  3  2  A  10  1  A   0.18  
38  4  2  A  10  1  A   0.18  
39  5  3  A  10  1  A   3.02  
40  6  3  A  10  1  A   3.02  
41  3  2  A  11  1  A   0.18  
42  4  2  A  11  1  A   0.18  
43  5  3  A  11  1  A  14.45  
44  6  3  A  11  1  A  14.45  
45  3  2  A  12  1  A   0.06  
46  4  2  A  12  1  A   0.06  
47  5  3  A  12  1  A   3.02  
48  6  3  A  12  1  A   3.02  
49  3  2  A  13  1  A   0.18  
50  4  2  A  13  1  A   0.18  
51  5  3  A  13  1  A  14.45  
52  6  3  A  13  1  A  14.45  
53  3  2  A  14  1  A   0.18  
54  4  2  A  14  1  A   0.18  
55  5  3  A  14  1  A   3.02  
56  6  3  A  14  1  A   3.02  
57  3  2  A  15  1  A   0.06  
58  4  2  A  15  1  A   0.06  
59  5  3  A  15  1  A  14.45  
60  6  3  A  15  1  A  14.45  
61  3  2  A  16  1  A   0.18  
62  4  2  A  16  1  A   0.18  
63  5  3  A  16  1  A  14.45  
64  6  3  A  16  1  A  14.45  
65  3  2  A  17  1  A   0.18  
66  4  2  A  17  1  A   0.18  
67  5  3  A  17  1  A  14.45  
68  6  3  A  17  1  A  14.45  
69  3  2  A  18  1  A   0.06  
70  4  2  A  18  1  A   0.06  
71  5  3  A  18  1  A   3.02  
72  6  3  A  18  1  A   3.02  
73  3  2  A  19  1  A   0.06  
74  4  2  A  19  1  A   0.06  
75  5  3  A  19  1  A  14.45  
76  6  3  A  19  1  A  14.45  
77  3  2  A  20  1  A   0.06  
78  4  2  A  20  1  A   0.06  
79  5  3  A  20  1  A  14.45  
80  6  3  A  20  1  A  14.45  
#
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  0.46  0.40  111  151  
 2   2  1  A  A  0.41  0.41  111  151  
 3   3  1  A  A  0.40  0.38  111  151  
 4   4  1  A  A  0.44  0.39  111  151  
 5   5  1  A  A  0.44  0.38  111  151  
 6   6  1  A  A  0.50  0.39  111  151  
 7   7  1  A  A  0.49  0.38  111  151  
 8   8  1  A  A  0.47  0.41  111  151  
 9   9  1  A  A  0.45  0.40  111  151  
10  10  1  A  A  0.46  0.37  111  151  
11  11  1  A  A  0.49  0.41  111  151  
12  12  1  A  A  0.42  0.37  111  151  
13  13  1  A  A  0.44  0.40  111  151  
14  14  1  A  A  0.44  0.37  111  151  
15  15  1  A  A  0.42  0.38  111  151  
16  16  1  A  A  0.47  0.42  111  151  
17  17  1  A  A  0.44  0.35  111  151  
18  18  1  A  A  0.48  0.39  111  151  
19  19  1  A  A  0.47  0.42  111  151  
20  20  1  A  A  0.44  0.40  111  151  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              16.33
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  16.33
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   9.64
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       9.64
_pdbx_vrpt_summary_geometry.clashscore                                 15.75
_pdbx_vrpt_summary_geometry.clashscore_full_length                     15.24
_pdbx_vrpt_summary_geometry.num_H_reduce                               1980
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2220
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.39
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            3020
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.45
#
_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            15
_pdbx_vrpt_summary_nmr.medoid_model                             15
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              51.16
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  50.56
#
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  GLY  A   1  .  ?        ?  
  2   1  1  A   2  CYS  A   2  .  ?        1  
  3   1  1  A   3  CYS  A   3  .  ?        2  
  4   1  1  A   4  SER  A   4  .  ?        ?  
  5   1  1  A   5  ASN  A   5  .  ?        1  
  6   1  1  A   6  PRO  A   6  .  ?        ?  
  7   1  1  A   7  ALA  A   7  .  ?        ?  
  8   1  1  A   8  CYS  A   8  .  ?        1  
  9   1  1  A   9  ILE  A   9  .  ?        1  
 10   1  1  A  10  LEU  A  10  .  ?        ?  
 11   1  1  A  11  ASN  A  11  .  ?        ?  
 12   1  1  A  12  ASN  A  12  .  ?        1  
 13   1  1  A  13  PRO  A  13  .  ?        2  
 14   1  1  A  14  ASN  A  14  .  ?        ?  
 15   1  1  A  15  GLN  A  15  .  ?        1  
 16   1  1  A  16  CYS  A  16  .  ?        3  
 17   1  1  A  17  NH2  A  17  .  ?        1  
 18   2  1  A   1  GLY  A   1  .  ?        ?  
 19   2  1  A   2  CYS  A   2  .  ?        ?  
 20   2  1  A   3  CYS  A   3  .  ?        ?  
 21   2  1  A   4  SER  A   4  .  ?        ?  
 22   2  1  A   5  ASN  A   5  .  ?        ?  
 23   2  1  A   6  PRO  A   6  .  ?        ?  
 24   2  1  A   7  ALA  A   7  .  ?        ?  
 25   2  1  A   8  CYS  A   8  .  ?        ?  
 26   2  1  A   9  ILE  A   9  .  ?        ?  
 27   2  1  A  10  LEU  A  10  .  ?        ?  
 28   2  1  A  11  ASN  A  11  .  ?        ?  
 29   2  1  A  12  ASN  A  12  .  ?        1  
 30   2  1  A  13  PRO  A  13  .  ?        1  
 31   2  1  A  14  ASN  A  14  .  ?        ?  
 32   2  1  A  15  GLN  A  15  .  ?        ?  
 33   2  1  A  16  CYS  A  16  .  ?        ?  
 34   2  1  A  17  NH2  A  17  .  ?        ?  
 35   3  1  A   1  GLY  A   1  .  ?        ?  
 36   3  1  A   2  CYS  A   2  .  ?        1  
 37   3  1  A   3  CYS  A   3  .  ?        ?  
 38   3  1  A   4  SER  A   4  .  ?        ?  
 39   3  1  A   5  ASN  A   5  .  ?        ?  
 40   3  1  A   6  PRO  A   6  .  ?        1  
 41   3  1  A   7  ALA  A   7  .  ?        ?  
 42   3  1  A   8  CYS  A   8  .  ?        1  
 43   3  1  A   9  ILE  A   9  .  ?        ?  
 44   3  1  A  10  LEU  A  10  .  ?        ?  
 45   3  1  A  11  ASN  A  11  .  ?        ?  
 46   3  1  A  12  ASN  A  12  .  ?        ?  
 47   3  1  A  13  PRO  A  13  .  ?        1  
 48   3  1  A  14  ASN  A  14  .  ?        ?  
 49   3  1  A  15  GLN  A  15  .  ?        ?  
 50   3  1  A  16  CYS  A  16  .  ?        ?  
 51   3  1  A  17  NH2  A  17  .  ?        ?  
 52   4  1  A   1  GLY  A   1  .  ?        ?  
 53   4  1  A   2  CYS  A   2  .  ?        ?  
 54   4  1  A   3  CYS  A   3  .  ?        ?  
 55   4  1  A   4  SER  A   4  .  ?        ?  
 56   4  1  A   5  ASN  A   5  .  ?        1  
 57   4  1  A   6  PRO  A   6  .  ?        ?  
 58   4  1  A   7  ALA  A   7  .  ?        ?  
 59   4  1  A   8  CYS  A   8  .  ?        1  
 60   4  1  A   9  ILE  A   9  .  ?        1  
 61   4  1  A  10  LEU  A  10  .  ?        ?  
 62   4  1  A  11  ASN  A  11  .  ?        ?  
 63   4  1  A  12  ASN  A  12  .  ?        1  
 64   4  1  A  13  PRO  A  13  .  ?        2  
 65   4  1  A  14  ASN  A  14  .  ?        ?  
 66   4  1  A  15  GLN  A  15  .  ?        ?  
 67   4  1  A  16  CYS  A  16  .  ?        ?  
 68   4  1  A  17  NH2  A  17  .  ?        ?  
 69   5  1  A   1  GLY  A   1  .  ?        ?  
 70   5  1  A   2  CYS  A   2  .  ?        ?  
 71   5  1  A   3  CYS  A   3  .  ?        ?  
 72   5  1  A   4  SER  A   4  .  ?        ?  
 73   5  1  A   5  ASN  A   5  .  ?        ?  
 74   5  1  A   6  PRO  A   6  .  ?        ?  
 75   5  1  A   7  ALA  A   7  .  ?        ?  
 76   5  1  A   8  CYS  A   8  .  ?        ?  
 77   5  1  A   9  ILE  A   9  .  ?        ?  
 78   5  1  A  10  LEU  A  10  .  ?        ?  
 79   5  1  A  11  ASN  A  11  .  ?        ?  
 80   5  1  A  12  ASN  A  12  .  ?        ?  
 81   5  1  A  13  PRO  A  13  .  ?        ?  
 82   5  1  A  14  ASN  A  14  .  ?        ?  
 83   5  1  A  15  GLN  A  15  .  ?        ?  
 84   5  1  A  16  CYS  A  16  .  ?        ?  
 85   5  1  A  17  NH2  A  17  .  ?        ?  
 86   6  1  A   1  GLY  A   1  .  ?        ?  
 87   6  1  A   2  CYS  A   2  .  ?        ?  
 88   6  1  A   3  CYS  A   3  .  ?        ?  
 89   6  1  A   4  SER  A   4  .  ?        1  
 90   6  1  A   5  ASN  A   5  .  ?        1  
 91   6  1  A   6  PRO  A   6  .  ?        ?  
 92   6  1  A   7  ALA  A   7  .  ?        ?  
 93   6  1  A   8  CYS  A   8  .  ?        2  
 94   6  1  A   9  ILE  A   9  .  ?        5  
 95   6  1  A  10  LEU  A  10  .  ?        ?  
 96   6  1  A  11  ASN  A  11  .  ?        ?  
 97   6  1  A  12  ASN  A  12  .  ?        1  
 98   6  1  A  13  PRO  A  13  .  ?        1  
 99   6  1  A  14  ASN  A  14  .  ?        ?  
100   6  1  A  15  GLN  A  15  .  ?        4  
101   6  1  A  16  CYS  A  16  .  ?        1  
102   6  1  A  17  NH2  A  17  .  ?        ?  
103   7  1  A   1  GLY  A   1  .  ?        ?  
104   7  1  A   2  CYS  A   2  .  ?        ?  
105   7  1  A   3  CYS  A   3  .  ?        ?  
106   7  1  A   4  SER  A   4  .  ?        ?  
107   7  1  A   5  ASN  A   5  .  ?        ?  
108   7  1  A   6  PRO  A   6  .  ?        ?  
109   7  1  A   7  ALA  A   7  .  ?        ?  
110   7  1  A   8  CYS  A   8  .  ?        1  
111   7  1  A   9  ILE  A   9  .  ?        2  
112   7  1  A  10  LEU  A  10  .  ?        ?  
113   7  1  A  11  ASN  A  11  .  ?        ?  
114   7  1  A  12  ASN  A  12  .  ?        1  
115   7  1  A  13  PRO  A  13  .  ?        2  
116   7  1  A  14  ASN  A  14  .  ?        ?  
117   7  1  A  15  GLN  A  15  .  ?        2  
118   7  1  A  16  CYS  A  16  .  ?        ?  
119   7  1  A  17  NH2  A  17  .  ?        ?  
120   8  1  A   1  GLY  A   1  .  ?        ?  
121   8  1  A   2  CYS  A   2  .  ?        1  
122   8  1  A   3  CYS  A   3  .  ?        ?  
123   8  1  A   4  SER  A   4  .  ?        ?  
124   8  1  A   5  ASN  A   5  .  ?        1  
125   8  1  A   6  PRO  A   6  .  ?        1  
126   8  1  A   7  ALA  A   7  .  ?        ?  
127   8  1  A   8  CYS  A   8  .  ?        ?  
128   8  1  A   9  ILE  A   9  .  ?        1  
129   8  1  A  10  LEU  A  10  .  ?        ?  
130   8  1  A  11  ASN  A  11  .  ?        ?  
131   8  1  A  12  ASN  A  12  .  ?        1  
132   8  1  A  13  PRO  A  13  .  ?        1  
133   8  1  A  14  ASN  A  14  .  ?        ?  
134   8  1  A  15  GLN  A  15  .  ?        2  
135   8  1  A  16  CYS  A  16  .  ?        ?  
136   8  1  A  17  NH2  A  17  .  ?        ?  
137   9  1  A   1  GLY  A   1  .  ?        ?  
138   9  1  A   2  CYS  A   2  .  ?        1  
139   9  1  A   3  CYS  A   3  .  ?        ?  
140   9  1  A   4  SER  A   4  .  ?        ?  
141   9  1  A   5  ASN  A   5  .  ?        1  
142   9  1  A   6  PRO  A   6  .  ?        1  
143   9  1  A   7  ALA  A   7  .  ?        ?  
144   9  1  A   8  CYS  A   8  .  ?        ?  
145   9  1  A   9  ILE  A   9  .  ?        1  
146   9  1  A  10  LEU  A  10  .  ?        ?  
147   9  1  A  11  ASN  A  11  .  ?        ?  
148   9  1  A  12  ASN  A  12  .  ?        1  
149   9  1  A  13  PRO  A  13  .  ?        1  
150   9  1  A  14  ASN  A  14  .  ?        ?  
151   9  1  A  15  GLN  A  15  .  ?        ?  
152   9  1  A  16  CYS  A  16  .  ?        ?  
153   9  1  A  17  NH2  A  17  .  ?        ?  
154  10  1  A   1  GLY  A   1  .  ?        ?  
155  10  1  A   2  CYS  A   2  .  ?        1  
156  10  1  A   3  CYS  A   3  .  ?        ?  
157  10  1  A   4  SER  A   4  .  ?        ?  
158  10  1  A   5  ASN  A   5  .  ?        ?  
159  10  1  A   6  PRO  A   6  .  ?        1  
160  10  1  A   7  ALA  A   7  .  ?        ?  
161  10  1  A   8  CYS  A   8  .  ?        ?  
162  10  1  A   9  ILE  A   9  .  ?        ?  
163  10  1  A  10  LEU  A  10  .  ?        ?  
164  10  1  A  11  ASN  A  11  .  ?        ?  
165  10  1  A  12  ASN  A  12  .  ?        ?  
166  10  1  A  13  PRO  A  13  .  ?        ?  
167  10  1  A  14  ASN  A  14  .  ?        ?  
168  10  1  A  15  GLN  A  15  .  ?        1  
169  10  1  A  16  CYS  A  16  .  ?        1  
170  10  1  A  17  NH2  A  17  .  ?        ?  
171  11  1  A   1  GLY  A   1  .  ?        ?  
172  11  1  A   2  CYS  A   2  .  ?        1  
173  11  1  A   3  CYS  A   3  .  ?        ?  
174  11  1  A   4  SER  A   4  .  ?        ?  
175  11  1  A   5  ASN  A   5  .  ?        1  
176  11  1  A   6  PRO  A   6  .  ?        1  
177  11  1  A   7  ALA  A   7  .  ?        ?  
178  11  1  A   8  CYS  A   8  .  ?        ?  
179  11  1  A   9  ILE  A   9  .  ?        3  
180  11  1  A  10  LEU  A  10  .  ?        ?  
181  11  1  A  11  ASN  A  11  .  ?        ?  
182  11  1  A  12  ASN  A  12  .  ?        1  
183  11  1  A  13  PRO  A  13  .  ?        1  
184  11  1  A  14  ASN  A  14  .  ?        ?  
185  11  1  A  15  GLN  A  15  .  ?        2  
186  11  1  A  16  CYS  A  16  .  ?        ?  
187  11  1  A  17  NH2  A  17  .  ?        ?  
188  12  1  A   1  GLY  A   1  .  ?        ?  
189  12  1  A   2  CYS  A   2  .  ?        ?  
190  12  1  A   3  CYS  A   3  .  ?        ?  
191  12  1  A   4  SER  A   4  .  ?        ?  
192  12  1  A   5  ASN  A   5  .  ?        ?  
193  12  1  A   6  PRO  A   6  .  ?        ?  
194  12  1  A   7  ALA  A   7  .  ?        ?  
195  12  1  A   8  CYS  A   8  .  ?        1  
196  12  1  A   9  ILE  A   9  .  ?        ?  
197  12  1  A  10  LEU  A  10  .  ?        1  
198  12  1  A  11  ASN  A  11  .  ?        1  
199  12  1  A  12  ASN  A  12  .  ?        1  
200  12  1  A  13  PRO  A  13  .  ?        2  
201  12  1  A  14  ASN  A  14  .  ?        ?  
202  12  1  A  15  GLN  A  15  .  ?        ?  
203  12  1  A  16  CYS  A  16  .  ?        ?  
204  12  1  A  17  NH2  A  17  .  ?        ?  
205  13  1  A   1  GLY  A   1  .  ?        ?  
206  13  1  A   2  CYS  A   2  .  ?        1  
207  13  1  A   3  CYS  A   3  .  ?        ?  
208  13  1  A   4  SER  A   4  .  ?        ?  
209  13  1  A   5  ASN  A   5  .  ?        ?  
210  13  1  A   6  PRO  A   6  .  ?        1  
211  13  1  A   7  ALA  A   7  .  ?        ?  
212  13  1  A   8  CYS  A   8  .  ?        ?  
213  13  1  A   9  ILE  A   9  .  ?        ?  
214  13  1  A  10  LEU  A  10  .  ?        ?  
215  13  1  A  11  ASN  A  11  .  ?        ?  
216  13  1  A  12  ASN  A  12  .  ?        1  
217  13  1  A  13  PRO  A  13  .  ?        1  
218  13  1  A  14  ASN  A  14  .  ?        ?  
219  13  1  A  15  GLN  A  15  .  ?        3  
220  13  1  A  16  CYS  A  16  .  ?        1  
221  13  1  A  17  NH2  A  17  .  ?        ?  
222  14  1  A   1  GLY  A   1  .  ?        ?  
223  14  1  A   2  CYS  A   2  .  ?        ?  
224  14  1  A   3  CYS  A   3  .  ?        ?  
225  14  1  A   4  SER  A   4  .  ?        ?  
226  14  1  A   5  ASN  A   5  .  ?        ?  
227  14  1  A   6  PRO  A   6  .  ?        ?  
228  14  1  A   7  ALA  A   7  .  ?        ?  
229  14  1  A   8  CYS  A   8  .  ?        ?  
230  14  1  A   9  ILE  A   9  .  ?        ?  
231  14  1  A  10  LEU  A  10  .  ?        ?  
232  14  1  A  11  ASN  A  11  .  ?        ?  
233  14  1  A  12  ASN  A  12  .  ?        ?  
234  14  1  A  13  PRO  A  13  .  ?        ?  
235  14  1  A  14  ASN  A  14  .  ?        ?  
236  14  1  A  15  GLN  A  15  .  ?        ?  
237  14  1  A  16  CYS  A  16  .  ?        ?  
238  14  1  A  17  NH2  A  17  .  ?        ?  
239  15  1  A   1  GLY  A   1  .  ?        ?  
240  15  1  A   2  CYS  A   2  .  ?        ?  
241  15  1  A   3  CYS  A   3  .  ?        ?  
242  15  1  A   4  SER  A   4  .  ?        ?  
243  15  1  A   5  ASN  A   5  .  ?        ?  
244  15  1  A   6  PRO  A   6  .  ?        ?  
245  15  1  A   7  ALA  A   7  .  ?        ?  
246  15  1  A   8  CYS  A   8  .  ?        ?  
247  15  1  A   9  ILE  A   9  .  ?        ?  
248  15  1  A  10  LEU  A  10  .  ?        ?  
249  15  1  A  11  ASN  A  11  .  ?        ?  
250  15  1  A  12  ASN  A  12  .  ?        1  
251  15  1  A  13  PRO  A  13  .  ?        1  
252  15  1  A  14  ASN  A  14  .  ?        ?  
253  15  1  A  15  GLN  A  15  .  ?        ?  
254  15  1  A  16  CYS  A  16  .  ?        ?  
255  15  1  A  17  NH2  A  17  .  ?        ?  
256  16  1  A   1  GLY  A   1  .  ?        ?  
257  16  1  A   2  CYS  A   2  .  ?        1  
258  16  1  A   3  CYS  A   3  .  ?        ?  
259  16  1  A   4  SER  A   4  .  ?        ?  
260  16  1  A   5  ASN  A   5  .  ?        ?  
261  16  1  A   6  PRO  A   6  .  ?        1  
262  16  1  A   7  ALA  A   7  .  ?        ?  
263  16  1  A   8  CYS  A   8  .  ?        1  
264  16  1  A   9  ILE  A   9  .  ?        1  
265  16  1  A  10  LEU  A  10  .  ?        ?  
266  16  1  A  11  ASN  A  11  .  ?        ?  
267  16  1  A  12  ASN  A  12  .  ?        ?  
268  16  1  A  13  PRO  A  13  .  ?        1  
269  16  1  A  14  ASN  A  14  .  ?        ?  
270  16  1  A  15  GLN  A  15  .  ?        2  
271  16  1  A  16  CYS  A  16  .  ?        1  
272  16  1  A  17  NH2  A  17  .  ?        ?  
273  17  1  A   1  GLY  A   1  .  ?        ?  
274  17  1  A   2  CYS  A   2  .  ?        ?  
275  17  1  A   3  CYS  A   3  .  ?        1  
276  17  1  A   4  SER  A   4  .  ?        ?  
277  17  1  A   5  ASN  A   5  .  ?        ?  
278  17  1  A   6  PRO  A   6  .  ?        ?  
279  17  1  A   7  ALA  A   7  .  ?        ?  
280  17  1  A   8  CYS  A   8  .  ?        1  
281  17  1  A   9  ILE  A   9  .  ?        ?  
282  17  1  A  10  LEU  A  10  .  ?        ?  
283  17  1  A  11  ASN  A  11  .  ?        ?  
284  17  1  A  12  ASN  A  12  .  ?        1  
285  17  1  A  13  PRO  A  13  .  ?        2  
286  17  1  A  14  ASN  A  14  .  ?        ?  
287  17  1  A  15  GLN  A  15  .  ?        ?  
288  17  1  A  16  CYS  A  16  .  ?        1  
289  17  1  A  17  NH2  A  17  .  ?        ?  
290  18  1  A   1  GLY  A   1  .  ?        ?  
291  18  1  A   2  CYS  A   2  .  ?        ?  
292  18  1  A   3  CYS  A   3  .  ?        1  
293  18  1  A   4  SER  A   4  .  ?        2  
294  18  1  A   5  ASN  A   5  .  ?        ?  
295  18  1  A   6  PRO  A   6  .  ?        1  
296  18  1  A   7  ALA  A   7  .  ?        ?  
297  18  1  A   8  CYS  A   8  .  ?        ?  
298  18  1  A   9  ILE  A   9  .  ?        1  
299  18  1  A  10  LEU  A  10  .  ?        ?  
300  18  1  A  11  ASN  A  11  .  ?        ?  
301  18  1  A  12  ASN  A  12  .  ?        1  
302  18  1  A  13  PRO  A  13  .  ?        1  
303  18  1  A  14  ASN  A  14  .  ?        ?  
304  18  1  A  15  GLN  A  15  .  ?        ?  
305  18  1  A  16  CYS  A  16  .  ?        1  
306  18  1  A  17  NH2  A  17  .  ?        ?  
307  19  1  A   1  GLY  A   1  .  ?        ?  
308  19  1  A   2  CYS  A   2  .  ?        ?  
309  19  1  A   3  CYS  A   3  .  ?        ?  
310  19  1  A   4  SER  A   4  .  ?        ?  
311  19  1  A   5  ASN  A   5  .  ?        1  
312  19  1  A   6  PRO  A   6  .  ?        ?  
313  19  1  A   7  ALA  A   7  .  ?        ?  
314  19  1  A   8  CYS  A   8  .  ?        1  
315  19  1  A   9  ILE  A   9  .  ?        1  
316  19  1  A  10  LEU  A  10  .  ?        ?  
317  19  1  A  11  ASN  A  11  .  ?        ?  
318  19  1  A  12  ASN  A  12  .  ?        ?  
319  19  1  A  13  PRO  A  13  .  ?        1  
320  19  1  A  14  ASN  A  14  .  ?        ?  
321  19  1  A  15  GLN  A  15  .  ?        ?  
322  19  1  A  16  CYS  A  16  .  ?        ?  
323  19  1  A  17  NH2  A  17  .  ?        ?  
324  20  1  A   1  GLY  A   1  .  ?        ?  
325  20  1  A   2  CYS  A   2  .  ?        2  
326  20  1  A   3  CYS  A   3  .  ?        ?  
327  20  1  A   4  SER  A   4  .  ?        ?  
328  20  1  A   5  ASN  A   5  .  ?        ?  
329  20  1  A   6  PRO  A   6  .  ?        1  
330  20  1  A   7  ALA  A   7  .  ?        ?  
331  20  1  A   8  CYS  A   8  .  ?        1  
332  20  1  A   9  ILE  A   9  .  ?        1  
333  20  1  A  10  LEU  A  10  .  ?        ?  
334  20  1  A  11  ASN  A  11  .  ?        ?  
335  20  1  A  12  ASN  A  12  .  ?        1  
336  20  1  A  13  PRO  A  13  .  ?        2  
337  20  1  A  14  ASN  A  14  .  ?        ?  
338  20  1  A  15  GLN  A  15  .  ?        ?  
339  20  1  A  16  CYS  A  16  .  ?        ?  
340  20  1  A  17  NH2  A  17  .  ?        ?  
#
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  ?             ?       ?  ?           5     4  0.88     5  0.23  molprobity     ?  False  
  2    2  m        -116.6    18.5  Favored     4     6  0.20     8  0.15  molprobity     1  True   
  3    3  OUTLIER   -74.5   -31.9  Favored     4     6  0.21     8  0.16  molprobity     1  True   
  4    4  t         -85.1   -91.8  Allowed     5     6  0.32     8  0.32  molprobity     1  True   
  5    5  t-20     -165.2    90.1  Allowed     6     8  0.38    12  0.52  molprobity     1  True   
  6    6  Cg_endo  -100.6  -153.4  OUTLIER     7     8  0.70    11  0.57  molprobity     1  True   
  7    7  ?         -73.1   -15.7  Favored     5     5  0.21     7  0.24  molprobity     1  True   
  8    8  m         -54.0   -47.4  Favored     4     6  0.34     8  0.23  molprobity     1  True   
  9    9  mm        -58.0   -37.6  Favored    11     8  0.33    11  0.78  molprobity     1  True   
 10   10  tp        -54.5   -40.1  Favored    11     8  0.27    11  0.21  molprobity     1  True   
 11   11  m-20      -95.8   -24.8  Favored     6     8  0.26    11  0.69  molprobity     1  True   
 12   12  t-20       54.3    57.6  Favored     6     8  0.37    12  0.37  molprobity     1  True   
 13   13  Cg_endo   -86.5   -65.0  OUTLIER     7     8  0.55    11  0.57  molprobity     1  True   
 14   14  t30       -86.7   -65.8  Allowed     6     8  0.20    11  0.33  molprobity     1  True   
 15   15  OUTLIER    59.8    37.5  Favored     8     9  0.25    12  0.47  molprobity     1  True   
 16   16  t         170.7    77.0  OUTLIER     4     5  0.51     5  0.56  molprobity     1  True   
 17   17  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 18   18  ?             ?       ?  ?           5     4  0.93     5  0.23  molprobity     ?  False  
 19   19  m        -128.3    28.7  Favored     4     6  0.32     8  0.27  molprobity     1  True   
 20   20  m         -94.6   -19.4  Favored     4     6  0.27     8  0.21  molprobity     1  True   
 21   21  m        -110.5    25.5  Favored     5     6  0.20     8  0.40  molprobity     1  True   
 22   22  t-20       63.0    87.1  Allowed     6     8  0.43    12  0.42  molprobity     1  True   
 23   23  Cg_endo   -95.3   -86.6  OUTLIER     7     8  0.51    11  0.30  molprobity     1  True   
 24   24  ?        -139.2    -7.2  Allowed     5     5  0.10     7  0.38  molprobity     1  True   
 25   25  m         -55.6   -40.8  Favored     4     6  0.37     8  0.37  molprobity     1  True   
 26   26  mm        -58.3   -29.1  Favored    11     8  0.25    11  0.54  molprobity     1  True   
 27   27  tt        -59.5   -43.6  Favored    11     8  0.30    11  0.35  molprobity     1  True   
 28   28  m-80      -99.2   -17.8  Favored     6     8  0.23    11  0.59  molprobity     1  True   
 29   29  m120       60.7    47.7  Allowed     6     8  0.44    12  0.44  molprobity     1  True   
 30   30  Cg_endo   -85.8   -52.2  OUTLIER     7     8  0.47    11  0.51  molprobity     1  True   
 31   31  t30      -119.3    66.7  Allowed     6     8  0.40    11  0.34  molprobity     1  True   
 32   32  OUTLIER   -92.3    98.2  Favored     8     9  0.42    12  0.37  molprobity     1  True   
 33   33  m         -70.1    86.4  Allowed     4     5  0.50     5  0.45  molprobity     1  True   
 34   34  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 35   35  ?             ?       ?  ?           5     4  0.92     5  0.43  molprobity     ?  False  
 36   36  m          63.7    30.0  Favored     4     6  0.26     8  0.34  molprobity     1  True   
 37   37  m         -93.7   -37.7  Favored     4     6  0.25     8  0.16  molprobity     1  True   
 38   38  t         -94.7   -80.7  Allowed     5     6  0.26     8  0.25  molprobity     1  True   
 39   39  t-20     -170.7    85.4  Allowed     6     8  0.32    12  0.40  molprobity     1  True   
 40   40  Cg_endo   -93.2   -79.3  OUTLIER     7     8  0.57    11  0.34  molprobity     1  True   
 41   41  ?        -148.5   -13.9  Allowed     5     5  0.15     7  0.33  molprobity     1  True   
 42   42  m         -59.7   -43.8  Favored     4     6  0.20     8  0.45  molprobity     1  True   
 43   43  mm        -53.1   -31.6  Favored    11     8  0.36    11  0.67  molprobity     1  True   
 44   44  tp        -55.5   -34.2  Favored    11     8  0.23    11  0.21  molprobity     1  True   
 45   45  m-80     -107.7   -15.9  Favored     6     8  0.22    11  0.46  molprobity     1  True   
 46   46  m120       57.9    62.3  Favored     6     8  0.32    12  0.38  molprobity     1  True   
 47   47  Cg_exo    -79.1   -64.5  OUTLIER     7     8  0.48    11  0.47  molprobity     1  True   
 48   48  p-10      -99.2   -64.2  Allowed     6     8  0.38    11  0.34  molprobity     1  True   
 49   49  OUTLIER    53.2    86.0  OUTLIER     8     9  0.24    12  0.40  molprobity     1  True   
 50   50  m         -61.3    98.6  Allowed     4     5  0.59     5  0.46  molprobity     1  True   
 51   51  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 52   52  ?             ?       ?  ?           5     4  1.07     5  0.12  molprobity     ?  False  
 53   53  m         -86.3    55.0  Favored     4     6  0.30     8  0.39  molprobity     1  True   
 54   54  m        -108.0   -67.0  Allowed     4     6  0.26     8  0.28  molprobity     1  True   
 55   55  m         -83.7    53.0  Favored     5     6  0.23     8  0.61  molprobity     1  True   
 56   56  t30        50.4    73.8  Allowed     6     8  0.26    12  0.45  molprobity     1  True   
 57   57  Cg_endo   -84.5   -68.5  OUTLIER     7     8  0.45    11  0.47  molprobity     1  True   
 58   58  ?        -152.0   -27.5  Allowed     5     5  0.13     7  0.41  molprobity     1  True   
 59   59  m         -52.2   -45.5  Favored     4     6  0.26     8  0.48  molprobity     1  True   
 60   60  mm        -55.4   -35.7  Favored    11     8  0.43    11  0.63  molprobity     1  True   
 61   61  tp        -58.8   -26.3  Favored    11     8  0.23    11  0.17  molprobity     1  True   
 62   62  m-20     -100.3   -16.9  Favored     6     8  0.20    11  0.47  molprobity     1  True   
 63   63  OUTLIER    56.8    49.0  Favored     6     8  0.40    12  0.44  molprobity     1  True   
 64   64  Cg_endo   -85.3   -64.9  OUTLIER     7     8  0.54    11  0.58  molprobity     1  True   
 65   65  t30       -86.8   -73.3  Allowed     6     8  0.28    11  0.42  molprobity     1  True   
 66   66  OUTLIER    55.0    98.2  OUTLIER     8     9  0.25    12  0.30  molprobity     1  True   
 67   67  m         -62.6   -82.9  OUTLIER     4     5  0.50     5  0.37  molprobity     1  True   
 68   68  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 69   69  ?             ?       ?  ?           5     4  0.84     5  0.24  molprobity     ?  False  
 70   70  m         -84.4    24.3  Allowed     4     6  0.26     8  0.21  molprobity     1  True   
 71   71  t        -116.2     0.1  Favored     4     6  0.26     8  0.32  molprobity     1  True   
 72   72  m        -110.7    19.4  Favored     5     6  0.21     8  0.55  molprobity     1  True   
 73   73  t-20       58.4    82.1  Allowed     6     8  0.34    12  0.43  molprobity     1  True   
 74   74  Cg_endo   -92.0   -83.3  OUTLIER     7     8  0.54    11  0.35  molprobity     1  True   
 75   75  ?        -143.5    -0.2  Allowed     5     5  0.18     7  0.47  molprobity     1  True   
 76   76  m         -68.0   -32.7  Favored     4     6  0.46     8  0.42  molprobity     1  True   
 77   77  mm        -66.0   -36.9  Favored    11     8  0.18    11  0.68  molprobity     1  True   
 78   78  tp        -64.9   -63.0  Allowed    11     8  0.22    11  0.20  molprobity     1  True   
 79   79  m-80      -78.0   -17.1  Favored     6     8  0.25    11  0.47  molprobity     1  True   
 80   80  OUTLIER    57.7    48.3  Favored     6     8  0.43    12  0.44  molprobity     1  True   
 81   81  Cg_endo   -88.4   -13.5  Favored     7     8  0.32    11  0.39  molprobity     1  True   
 82   82  t30      -153.8   -69.6  Allowed     6     8  0.26    11  0.24  molprobity     1  True   
 83   83  OUTLIER    53.1  -157.1  Allowed     8     9  0.47    12  0.65  molprobity     1  True   
 84   84  p        -133.6   -76.3  Allowed     4     5  0.52     5  0.45  molprobity     1  True   
 85   85  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 86   86  ?             ?       ?  ?           5     4  0.94     5  0.26  molprobity     ?  False  
 87   87  m        -151.3    38.6  Allowed     4     6  0.23     8  0.42  molprobity     1  True   
 88   88  t        -109.6   -27.3  Favored     4     6  0.25     8  0.11  molprobity     1  True   
 89   89  t         -78.8   -86.5  Allowed     5     6  0.31     8  0.42  molprobity     1  True   
 90   90  t30       179.8    75.5  Allowed     6     8  0.32    12  0.64  molprobity     1  True   
 91   91  Cg_endo   -75.0   -55.6  OUTLIER     7     8  0.27    11  0.50  molprobity     1  True   
 92   92  ?        -165.9   -24.3  OUTLIER     5     5  0.11     7  0.56  molprobity     1  True   
 93   93  m         -59.1   -25.4  Favored     4     6  0.69     8  0.65  molprobity     1  True   
 94   94  mm        -85.0   -53.3  Favored    11     8  0.25    11  0.72  molprobity     1  True   
 95   95  tp        -49.7   -55.9  Favored    11     8  0.24    11  0.25  molprobity     1  True   
 96   96  m-20      -82.8   -19.5  Favored     6     8  0.24    11  0.72  molprobity     1  True   
 97   97  t-20       54.6    49.7  Favored     6     8  0.45    12  0.43  molprobity     1  True   
 98   98  Cg_endo   -91.7    -3.3  Favored     7     8  0.43    11  0.51  molprobity     1  True   
 99   99  t30      -143.2   -65.1  Allowed     6     8  0.30    11  0.37  molprobity     1  True   
100  100  OUTLIER    51.5  -173.0  OUTLIER     8     9  0.39    12  0.46  molprobity     1  True   
101  101  p        -132.8    99.7  Favored     4     5  0.51     5  0.31  molprobity     1  True   
102  102  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
103  103  ?             ?       ?  ?           5     4  0.93     5  0.29  molprobity     ?  False  
104  104  m         -88.3    15.8  Favored     4     6  0.23     8  0.19  molprobity     1  True   
105  105  t         -86.4   -35.9  Favored     4     6  0.33     8  0.44  molprobity     1  True   
106  106  t        -102.0   116.3  Favored     5     6  0.27     8  0.65  molprobity     1  True   
107  107  t30       -37.1   101.3  Allowed     6     8  0.45    12  0.57  molprobity     1  True   
108  108  Cg_endo   -97.4   -77.9  OUTLIER     7     8  0.48    11  0.49  molprobity     1  True   
109  109  ?        -141.0   -26.4  Allowed     5     5  0.10     7  0.26  molprobity     1  True   
110  110  m         -49.3   -46.2  Favored     4     6  0.25     8  0.41  molprobity     1  True   
111  111  mm        -54.7   -31.4  Favored    11     8  0.27    11  0.69  molprobity     1  True   
112  112  mp        -67.3   -26.2  Favored    11     8  0.26    11  0.28  molprobity     1  True   
113  113  m-20     -109.2   -14.9  Favored     6     8  0.19    11  0.61  molprobity     1  True   
114  114  m120       54.3    50.9  Favored     6     8  0.39    12  0.45  molprobity     1  True   
115  115  Cg_exo    -78.0   -53.0  OUTLIER     7     8  0.41    11  0.48  molprobity     1  True   
116  116  p-10     -114.8   -53.6  Favored     6     8  0.35    11  0.21  molprobity     1  True   
117  117  OUTLIER    58.2  -157.6  Allowed     8     9  0.34    12  0.53  molprobity     1  True   
118  118  t        -167.5   -86.9  OUTLIER     4     5  0.53     5  0.71  molprobity     1  True   
119  119  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
120  120  ?             ?       ?  ?           5     4  0.85     5  0.17  molprobity     ?  False  
121  121  m        -129.5    12.6  Favored     4     6  0.28     8  0.39  molprobity     1  True   
122  122  t         -78.7   -32.7  Favored     4     6  0.25     8  0.12  molprobity     1  True   
123  123  t         -81.5   -84.6  Allowed     5     6  0.22     8  0.20  molprobity     1  True   
124  124  t-20     -169.7    88.1  Allowed     6     8  0.36    12  0.56  molprobity     1  True   
125  125  Cg_endo  -100.6  -151.3  OUTLIER     7     8  0.71    11  0.63  molprobity     1  True   
126  126  ?         -75.2   -13.7  Favored     5     5  0.18     7  0.34  molprobity     1  True   
127  127  m         -58.5   -30.2  Favored     4     6  0.52     8  0.44  molprobity     1  True   
128  128  mm        -70.5   -50.0  Favored    11     8  0.22    11  0.79  molprobity     1  True   
129  129  mp        -61.1   -49.9  Favored    11     8  0.29    11  0.23  molprobity     1  True   
130  130  m-20      -81.9   -20.6  Favored     6     8  0.20    11  0.74  molprobity     1  True   
131  131  t-20       56.4    45.4  Allowed     6     8  0.45    12  0.51  molprobity     1  True   
132  132  Cg_endo   -93.9   -15.9  Allowed     7     8  0.34    11  0.34  molprobity     1  True   
133  133  t30      -147.6    48.5  Allowed     6     8  0.35    11  0.31  molprobity     1  True   
134  134  OUTLIER   -81.1   146.6  Favored     8     9  0.36    12  0.29  molprobity     1  True   
135  135  p         -85.0   -75.0  Allowed     4     5  0.54     5  0.42  molprobity     1  True   
136  136  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
137  137  ?             ?       ?  ?           5     4  0.88     5  0.15  molprobity     ?  False  
138  138  m         -91.7     1.1  Favored     4     6  0.27     8  0.24  molprobity     1  True   
139  139  t         -89.0     4.3  Favored     4     6  0.26     8  0.42  molprobity     1  True   
140  140  m        -114.8    31.5  Favored     5     6  0.12     8  0.60  molprobity     1  True   
141  141  t-20       49.0    72.9  Allowed     6     8  0.44    12  0.58  molprobity     1  True   
142  142  Cg_endo  -100.0  -153.7  OUTLIER     7     8  0.70    11  0.49  molprobity     1  True   
143  143  ?         -70.1   -12.0  Favored     5     5  0.21     7  0.25  molprobity     1  True   
144  144  m         -58.4   -29.9  Favored     4     6  0.42     8  0.33  molprobity     1  True   
145  145  mm        -72.7   -25.3  Favored    11     8  0.29    11  0.66  molprobity     1  True   
146  146  tp        -66.8   -48.0  Favored    11     8  0.20    11  0.17  molprobity     1  True   
147  147  m-80      -99.2   -16.5  Favored     6     8  0.24    11  0.56  molprobity     1  True   
148  148  m120       55.1    54.2  Favored     6     8  0.34    12  0.42  molprobity     1  True   
149  149  Cg_endo   -87.0   -64.0  OUTLIER     7     8  0.44    11  0.52  molprobity     1  True   
150  150  t30       -91.9   -67.6  Allowed     6     8  0.26    11  0.37  molprobity     1  True   
151  151  OUTLIER    60.2  -101.5  Allowed     8     9  0.32    12  0.38  molprobity     1  True   
152  152  t        -170.3    87.8  Allowed     4     5  0.53     5  0.44  molprobity     1  True   
153  153  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
154  154  ?             ?       ?  ?           5     4  0.86     5  0.41  molprobity     ?  False  
155  155  m          62.5    31.4  Favored     4     6  0.25     8  0.21  molprobity     1  True   
156  156  t         -92.4   -48.1  Favored     4     6  0.25     8  0.14  molprobity     1  True   
157  157  t         -77.4   -82.1  Allowed     5     6  0.23     8  0.24  molprobity     1  True   
158  158  t30      -174.4    81.7  Allowed     6     8  0.26    12  0.53  molprobity     1  True   
159  159  Cg_endo   -85.7   -45.8  OUTLIER     7     8  0.51    11  0.56  molprobity     1  True   
160  160  ?        -175.4   -40.6  OUTLIER     5     5  0.11     7  0.62  molprobity     1  True   
161  161  m         -42.1   -39.3  Allowed     4     6  0.42     8  0.70  molprobity     1  True   
162  162  mm        -51.8   -31.3  Favored    11     8  0.32    11  0.69  molprobity     1  True   
163  163  tp        -67.2   -48.3  Favored    11     8  0.22    11  0.23  molprobity     1  True   
164  164  m-20      -98.6   -14.7  Favored     6     8  0.23    11  0.44  molprobity     1  True   
165  165  OUTLIER    59.8    50.7  Favored     6     8  0.46    12  0.39  molprobity     1  True   
166  166  Cg_endo   -81.2   -15.2  Favored     7     8  0.33    11  0.48  molprobity     1  True   
167  167  t30      -154.5   -73.2  Allowed     6     8  0.30    11  0.31  molprobity     1  True   
168  168  OUTLIER    56.1  -169.8  Allowed     8     9  0.35    12  0.41  molprobity     1  True   
169  169  p        -127.1  -105.0  Allowed     4     5  0.60     5  0.51  molprobity     1  True   
170  170  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
171  171  ?             ?       ?  ?           5     4  0.89     5  0.29  molprobity     ?  False  
172  172  m         -92.5    21.0  Favored     4     6  0.27     8  0.27  molprobity     1  True   
173  173  t        -108.4     2.4  Favored     4     6  0.25     8  0.47  molprobity     1  True   
174  174  m        -118.5    24.1  Favored     5     6  0.20     8  0.64  molprobity     1  True   
175  175  t-20       55.5    84.9  Allowed     6     8  0.41    12  0.61  molprobity     1  True   
176  176  Cg_endo  -101.7  -152.9  OUTLIER     7     8  0.72    11  0.56  molprobity     1  True   
177  177  ?         -72.6   -10.1  Favored     5     5  0.25     7  0.25  molprobity     1  True   
178  178  m         -59.7   -27.4  Favored     4     6  0.61     8  0.50  molprobity     1  True   
179  179  mm        -81.3   -36.3  Favored    11     8  0.29    11  0.67  molprobity     1  True   
180  180  tp        -63.0   -42.5  Favored    11     8  0.22    11  0.25  molprobity     1  True   
181  181  m-80     -100.4   -15.9  Favored     6     8  0.21    11  0.60  molprobity     1  True   
182  182  m120       58.2    45.7  Allowed     6     8  0.42    12  0.50  molprobity     1  True   
183  183  Cg_exo    -76.0   -55.9  OUTLIER     7     8  0.31    11  0.54  molprobity     1  True   
184  184  t30      -100.3   -67.1  Allowed     6     8  0.23    11  0.26  molprobity     1  True   
185  185  OUTLIER    58.0  -164.6  Allowed     8     9  0.30    12  0.35  molprobity     1  True   
186  186  t        -161.9    85.5  Allowed     4     5  0.49     5  0.65  molprobity     1  True   
187  187  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
188  188  ?             ?       ?  ?           5     4  0.90     5  0.26  molprobity     ?  False  
189  189  m        -143.9    34.3  Allowed     4     6  0.28     8  0.28  molprobity     1  True   
190  190  t         -92.7   -40.5  Favored     4     6  0.25     8  0.14  molprobity     1  True   
191  191  t         -80.2   -83.7  Allowed     5     6  0.28     8  0.25  molprobity     1  True   
192  192  t-20     -175.3    85.7  Allowed     6     8  0.34    12  0.42  molprobity     1  True   
193  193  Cg_endo   -89.9   -79.3  OUTLIER     7     8  0.48    11  0.34  molprobity     1  True   
194  194  ?        -147.3    -6.9  Allowed     5     5  0.20     7  0.27  molprobity     1  True   
195  195  m         -67.4   -43.1  Favored     4     6  0.29     8  0.37  molprobity     1  True   
196  196  mm        -54.5   -50.9  Favored    11     8  0.21    11  0.64  molprobity     1  True   
197  197  tt        -80.2    68.7  Favored    11     8  0.24    11  0.52  molprobity     1  True   
198  198  t30       168.5   -36.6  OUTLIER     6     8  0.26    11  0.46  molprobity     1  True   
199  199  OUTLIER    57.1    60.8  Favored     6     8  0.41    12  0.40  molprobity     1  True   
200  200  Cg_endo   -99.3    -4.4  Allowed     7     8  0.39    11  0.56  molprobity     1  True   
201  201  t30      -168.9   -72.8  OUTLIER     6     8  0.28    11  0.27  molprobity     1  True   
202  202  OUTLIER    54.3  -161.8  Allowed     8     9  0.34    12  0.51  molprobity     1  True   
203  203  p        -129.8    85.8  Favored     4     5  0.52     5  0.32  molprobity     1  True   
204  204  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
205  205  ?             ?       ?  ?           5     4  0.88     5  0.44  molprobity     ?  False  
206  206  m          64.7    35.9  Favored     4     6  0.28     8  0.30  molprobity     1  True   
207  207  t         -88.8   -38.9  Favored     4     6  0.28     8  0.16  molprobity     1  True   
208  208  t         -90.3   -85.1  Allowed     5     6  0.26     8  0.18  molprobity     1  True   
209  209  t-20     -169.8    88.6  Allowed     6     8  0.28    12  0.46  molprobity     1  True   
210  210  Cg_endo   -93.7   -74.1  OUTLIER     7     8  0.54    11  0.34  molprobity     1  True   
211  211  ?        -150.8   -18.8  Allowed     5     5  0.14     7  0.32  molprobity     1  True   
212  212  m         -55.3   -49.7  Favored     4     6  0.28     8  0.36  molprobity     1  True   
213  213  mm        -55.4   -28.6  Favored    11     8  0.30    11  0.70  molprobity     1  True   
214  214  tm?       -57.5   -44.8  Favored    11     8  0.37    11  0.43  molprobity     1  True   
215  215  t30       -93.9   -28.3  Favored     6     8  0.24    11  0.62  molprobity     1  True   
216  216  m120       68.2    51.4  Allowed     6     8  0.40    12  0.43  molprobity     1  True   
217  217  Cg_exo    -83.6   -63.9  OUTLIER     7     8  0.41    11  0.57  molprobity     1  True   
218  218  t30      -112.5    79.9  Allowed     6     8  0.45    11  0.36  molprobity     1  True   
219  219  OUTLIER   -94.6   140.8  Favored     8     9  0.45    12  0.40  molprobity     1  True   
220  220  p         -80.0    97.5  Favored     4     5  0.52     5  0.29  molprobity     1  True   
221  221  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
222  222  ?             ?       ?  ?           5     4  0.85     5  0.25  molprobity     ?  False  
223  223  m        -124.9    53.2  Allowed     4     6  0.32     8  0.43  molprobity     1  True   
224  224  t        -110.4    -4.1  Favored     4     6  0.23     8  0.37  molprobity     1  True   
225  225  t        -115.9   -87.4  Allowed     5     6  0.34     8  0.38  molprobity     1  True   
226  226  t-20     -174.2    91.5  Allowed     6     8  0.40    12  0.57  molprobity     1  True   
227  227  Cg_endo   -85.4   -67.9  OUTLIER     7     8  0.51    11  0.50  molprobity     1  True   
228  228  ?        -157.5   -17.9  Allowed     5     5  0.13     7  0.38  molprobity     1  True   
229  229  m         -47.8   -44.3  Favored     4     6  0.30     8  0.63  molprobity     1  True   
230  230  mm        -52.6   -40.9  Favored    11     8  0.32    11  0.60  molprobity     1  True   
231  231  tm?       -62.5   -42.7  Favored    11     8  0.30    11  0.33  molprobity     1  True   
232  232  t30       -76.0   -31.8  Favored     6     8  0.29    11  0.44  molprobity     1  True   
233  233  OUTLIER    66.6    50.0  Allowed     6     8  0.37    12  0.48  molprobity     1  True   
234  234  Cg_endo   -84.4   -50.1  OUTLIER     7     8  0.34    11  0.32  molprobity     1  True   
235  235  p-10     -117.5   -56.7  Favored     6     8  0.34    11  0.30  molprobity     1  True   
236  236  OUTLIER    56.5    83.3  Allowed     8     9  0.27    12  0.33  molprobity     1  True   
237  237  t         -70.9   115.8  Favored     4     5  0.49     5  0.44  molprobity     1  True   
238  238  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
239  239  ?             ?       ?  ?           5     4  0.91     5  0.21  molprobity     ?  False  
240  240  m         -90.2    20.3  Favored     4     6  0.27     8  0.31  molprobity     1  True   
241  241  t         -88.6   -36.7  Favored     4     6  0.27     8  0.32  molprobity     1  True   
242  242  t         -81.4   -89.5  Allowed     5     6  0.28     8  0.20  molprobity     1  True   
243  243  t-20     -172.9    86.7  Allowed     6     8  0.25    12  0.41  molprobity     1  True   
244  244  Cg_endo   -92.6   -79.5  OUTLIER     7     8  0.54    11  0.31  molprobity     1  True   
245  245  ?        -145.3   -11.8  Allowed     5     5  0.14     7  0.25  molprobity     1  True   
246  246  m         -59.5   -46.9  Favored     4     6  0.39     8  0.20  molprobity     1  True   
247  247  mm        -58.8   -30.1  Favored    11     8  0.25    11  0.72  molprobity     1  True   
248  248  tp        -64.7   -32.5  Favored    11     8  0.22    11  0.24  molprobity     1  True   
249  249  m-80     -110.7   -16.6  Favored     6     8  0.22    11  0.64  molprobity     1  True   
250  250  m120       59.1    46.8  Allowed     6     8  0.46    12  0.44  molprobity     1  True   
251  251  Cg_exo    -80.5   -63.8  OUTLIER     7     8  0.39    11  0.61  molprobity     1  True   
252  252  t30       -88.4   -75.9  Allowed     6     8  0.29    11  0.27  molprobity     1  True   
253  253  OUTLIER    53.5  -170.9  OUTLIER     8     9  0.36    12  0.40  molprobity     1  True   
254  254  p        -127.6    82.4  Favored     4     5  0.49     5  0.30  molprobity     1  True   
255  255  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
256  256  ?             ?       ?  ?           5     4  0.96     5  0.31  molprobity     ?  False  
257  257  m        -137.4    35.7  Favored     4     6  0.27     8  0.32  molprobity     1  True   
258  258  t        -117.8     5.8  Favored     4     6  0.21     8  0.32  molprobity     1  True   
259  259  t        -129.2    30.3  Favored     5     6  0.26     8  0.67  molprobity     1  True   
260  260  t-20       56.9    85.5  Allowed     6     8  0.39    12  0.55  molprobity     1  True   
261  261  Cg_endo   -97.6  -151.7  OUTLIER     7     8  0.66    11  0.58  molprobity     1  True   
262  262  ?         -81.4    -2.5  Favored     5     5  0.23     7  0.41  molprobity     1  True   
263  263  m         -59.0   -32.2  Favored     4     6  0.69     8  0.60  molprobity     1  True   
264  264  mm        -72.8   -27.9  Favored    11     8  0.22    11  0.60  molprobity     1  True   
265  265  tm?       -74.1   -52.0  Favored    11     8  0.29    11  0.31  molprobity     1  True   
266  266  m-20      -83.6   -22.4  Favored     6     8  0.22    11  0.52  molprobity     1  True   
267  267  m120       59.6    47.3  Allowed     6     8  0.50    12  0.47  molprobity     1  True   
268  268  Cg_endo   -84.1   -18.9  Favored     7     8  0.32    11  0.44  molprobity     1  True   
269  269  t30      -142.0   -64.8  Allowed     6     8  0.24    11  0.31  molprobity     1  True   
270  270  OUTLIER    55.7  -160.7  Allowed     8     9  0.33    12  0.37  molprobity     1  True   
271  271  t        -166.2   -72.8  OUTLIER     4     5  0.48     5  0.46  molprobity     1  True   
272  272  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
273  273  ?             ?       ?  ?           5     4  0.78     5  0.41  molprobity     ?  False  
274  274  m          59.4    33.8  Favored     4     6  0.24     8  0.24  molprobity     1  True   
275  275  t         -93.2   -37.3  Favored     4     6  0.40     8  0.30  molprobity     1  True   
276  276  t         -87.2   -83.2  Allowed     5     6  0.31     8  0.26  molprobity     1  True   
277  277  t-20     -174.2    89.7  Allowed     6     8  0.23    12  0.41  molprobity     1  True   
278  278  Cg_endo   -94.9   -80.3  OUTLIER     7     8  0.55    11  0.30  molprobity     1  True   
279  279  ?        -145.6   -21.9  Allowed     5     5  0.14     7  0.22  molprobity     1  True   
280  280  m         -52.5   -49.3  Favored     4     6  0.24     8  0.54  molprobity     1  True   
281  281  mm        -51.8   -34.0  Favored    11     8  0.28    11  0.71  molprobity     1  True   
282  282  tp        -56.2   -34.1  Favored    11     8  0.23    11  0.23  molprobity     1  True   
283  283  m-20     -102.2   -13.0  Favored     6     8  0.21    11  0.51  molprobity     1  True   
284  284  m120       53.4    53.4  Favored     6     8  0.35    12  0.41  molprobity     1  True   
285  285  Cg_endo   -90.8   -59.8  OUTLIER     7     8  0.37    11  0.39  molprobity     1  True   
286  286  t30       -93.6   -68.1  Allowed     6     8  0.26    11  0.34  molprobity     1  True   
287  287  OUTLIER    55.5  -153.4  Allowed     8     9  0.30    12  0.42  molprobity     1  True   
288  288  t        -169.7    92.2  Allowed     4     5  0.54     5  0.96  molprobity     1  True   
289  289  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
290  290  ?             ?       ?  ?           5     4  0.90     5  0.26  molprobity     ?  False  
291  291  m         -87.6    17.8  Favored     4     6  0.21     8  0.28  molprobity     1  True   
292  292  OUTLIER   -94.5   -13.3  Favored     4     6  0.28     8  0.81  molprobity     1  True   
293  293  t        -101.6  -166.6  Allowed     5     6  0.40     8  0.70  molprobity     1  True   
294  294  t-20     -112.1    84.0  Favored     6     8  0.33    12  0.31  molprobity     1  True   
295  295  Cg_endo   -90.7   -71.3  OUTLIER     7     8  0.55    11  0.51  molprobity     1  True   
296  296  ?        -151.1   -16.1  Allowed     5     5  0.15     7  0.23  molprobity     1  True   
297  297  m         -60.9   -31.0  Favored     4     6  0.48     8  0.36  molprobity     1  True   
298  298  mm        -72.3   -23.3  Favored    11     8  0.27    11  0.62  molprobity     1  True   
299  299  mp        -83.7   -50.0  Favored    11     8  0.26    11  0.23  molprobity     1  True   
300  300  m-20      -87.7   -16.4  Favored     6     8  0.24    11  0.57  molprobity     1  True   
301  301  m120       57.7    48.7  Favored     6     8  0.45    12  0.49  molprobity     1  True   
302  302  Cg_endo   -83.7   -64.8  OUTLIER     7     8  0.43    11  0.55  molprobity     1  True   
303  303  t30       -93.0   -69.5  Allowed     6     8  0.24    11  0.38  molprobity     1  True   
304  304  OUTLIER    57.1    90.5  OUTLIER     8     9  0.25    12  0.30  molprobity     1  True   
305  305  t         -78.4   -66.9  Allowed     4     5  0.54     5  0.48  molprobity     1  True   
306  306  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
307  307  ?             ?       ?  ?           5     4  0.89     5  0.24  molprobity     ?  False  
308  308  m        -116.4    24.7  Favored     4     6  0.32     8  0.36  molprobity     1  True   
309  309  t         -88.7   -37.8  Favored     4     6  0.24     8  0.19  molprobity     1  True   
310  310  t         -74.1   -84.1  OUTLIER     5     6  0.29     8  0.21  molprobity     1  True   
311  311  t-20     -174.8    91.0  Allowed     6     8  0.39    12  0.54  molprobity     1  True   
312  312  Cg_endo  -101.2  -153.2  OUTLIER     7     8  0.72    11  0.62  molprobity     1  True   
313  313  ?         -70.9   -13.4  Favored     5     5  0.22     7  0.28  molprobity     1  True   
314  314  m         -61.0   -30.0  Favored     4     6  0.53     8  0.51  molprobity     1  True   
315  315  mm        -80.8   -34.8  Favored    11     8  0.22    11  0.78  molprobity     1  True   
316  316  tm?       -66.1   -45.8  Favored    11     8  0.34    11  0.34  molprobity     1  True   
317  317  m-80     -100.7   -12.2  Favored     6     8  0.23    11  0.62  molprobity     1  True   
318  318  m120       55.5    47.5  Favored     6     8  0.42    12  0.51  molprobity     1  True   
319  319  Cg_endo   -74.1   -42.2  Allowed     7     8  0.27    11  0.44  molprobity     1  True   
320  320  t30      -123.1   -75.6  Allowed     6     8  0.30    11  0.34  molprobity     1  True   
321  321  OUTLIER    54.0   177.6  OUTLIER     8     9  0.43    12  0.37  molprobity     1  True   
322  322  p        -112.6    91.5  Favored     4     5  0.57     5  0.31  molprobity     1  True   
323  323  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
324  324  ?             ?       ?  ?           5     4  0.91     5  0.20  molprobity     ?  False  
325  325  m         -78.1   -16.5  Favored     4     6  0.23     8  0.19  molprobity     1  True   
326  326  t         -70.5    -9.8  Favored     4     6  0.26     8  0.30  molprobity     1  True   
327  327  t        -102.1     9.3  Favored     5     6  0.30     8  0.58  molprobity     1  True   
328  328  t-20       55.9    77.2  Allowed     6     8  0.38    12  0.38  molprobity     1  True   
329  329  Cg_endo   -87.0   -70.4  OUTLIER     7     8  0.57    11  0.40  molprobity     1  True   
330  330  ?        -159.3    27.1  Allowed     5     5  0.22     7  0.43  molprobity     1  True   
331  331  m         -94.6   -53.3  Favored     4     6  0.29     8  0.58  molprobity     1  True   
332  332  mm        -49.6   -34.6  Favored    11     8  0.36    11  0.64  molprobity     1  True   
333  333  tp        -54.6   -36.3  Favored    11     8  0.28    11  0.28  molprobity     1  True   
334  334  t30       -96.8   -26.9  Favored     6     8  0.25    11  0.56  molprobity     1  True   
335  335  m120       65.6    54.0  Allowed     6     8  0.39    12  0.40  molprobity     1  True   
336  336  Cg_exo    -73.3   -56.9  OUTLIER     7     8  0.41    11  0.52  molprobity     1  True   
337  337  p-10     -110.6   -71.5  Allowed     6     8  0.40    11  0.38  molprobity     1  True   
338  338  OUTLIER    63.4   133.2  OUTLIER     8     9  0.33    12  0.38  molprobity     1  True   
339  339  p         -85.0   -85.3  Allowed     4     5  0.50     5  0.44  molprobity     1  True   
340  340  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  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    2  H      1  0.56  1.98  
  2    3  CA     2  0.49  2.37  
  3    3  N      3  0.41  2.30  
  4    5  HA     4  0.43  2.44  
  5    8  O      5  0.45  2.10  
  6    9  CG1    4  0.43  2.44  
  7   12  N      6  0.55  2.17  
  8   13  HD3    6  0.55  2.17  
  9   13  HD3    5  0.45  2.10  
 10   15  O      7  0.54  2.02  
 11   16  HB2    7  0.54  2.02  
 12   16  HA     2  0.49  2.37  
 13   16  HA     3  0.41  2.30  
 14   17  N      1  0.56  1.98  
 15   29  N      8  0.56  2.14  
 16   30  HD3    8  0.56  2.14  
 17   36  HA     9  0.48  2.39  
 18   40  CG     9  0.48  2.39  
 19   42  O     10  0.49  2.06  
 20   47  HD3   10  0.49  2.06  
 21   56  HA    11  0.44  2.42  
 22   59  O     12  0.48  2.09  
 23   60  CG1   11  0.44  2.42  
 24   63  N     13  0.56  2.15  
 25   64  HD3   13  0.56  2.15  
 26   64  HD3   12  0.48  2.09  
 27   89  O     14  0.42  2.14  
 28   90  HA    15  0.48  2.38  
 29   93  O     16  0.51  2.05  
 30   93  O     17  0.45  2.12  
 31   94  HD12  18  0.48  1.66  
 32   94  HD12  19  0.45  2.27  
 33   94  CG1   15  0.48  2.38  
 34   94  CD1   20  0.46  2.24  
 35   94  HG13  14  0.42  2.14  
 36   97  HA    17  0.45  2.12  
 37   98  HD2   16  0.51  2.05  
 38  100  HE21  18  0.48  1.66  
 39  100  HE21  20  0.46  2.24  
 40  100  NE2   19  0.45  2.27  
 41  100  NE2   21  0.40  2.14  
 42  101  H     21  0.40  2.14  
 43  110  O     22  0.43  2.14  
 44  111  HD12  23  0.47  2.25  
 45  111  HD12  24  0.43  1.71  
 46  114  N     25  0.49  2.22  
 47  115  HD3   25  0.49  2.22  
 48  115  HD3   22  0.43  2.14  
 49  117  NE2   23  0.47  2.25  
 50  117  HE21  24  0.43  1.71  
 51  121  HA    26  0.40  2.46  
 52  124  HA    27  0.41  2.45  
 53  125  CG    26  0.40  2.46  
 54  128  CG1   27  0.41  2.45  
 55  131  N     28  0.47  2.25  
 56  132  HD3   28  0.47  2.25  
 57  134  NE2   29  0.45  2.25  
 58  134  HA    29  0.45  2.25  
 59  138  HA    30  0.56  2.30  
 60  141  HD22  31  0.40  1.76  
 61  142  CG    30  0.56  2.30  
 62  145  HG13  31  0.40  1.76  
 63  148  N     32  0.50  2.22  
 64  149  HD3   32  0.50  2.22  
 65  155  HA    33  0.44  2.42  
 66  159  CG    33  0.44  2.42  
 67  168  CD    34  0.42  2.17  
 68  169  H     34  0.42  2.17  
 69  172  HA    35  0.53  2.34  
 70  175  HA    36  0.43  2.44  
 71  176  CG    35  0.53  2.34  
 72  179  HD12  37  0.50  2.21  
 73  179  HD12  38  0.45  1.72  
 74  179  CG1   36  0.43  2.44  
 75  182  N     39  0.55  2.16  
 76  183  HD3   39  0.55  2.16  
 77  185  NE2   37  0.50  2.21  
 78  185  HE21  38  0.45  1.72  
 79  195  O     40  0.43  2.13  
 80  197  O     41  0.40  2.17  
 81  198  HB2   41  0.40  2.17  
 82  199  N     42  0.41  2.31  
 83  200  HD3   40  0.43  2.13  
 84  200  HD3   42  0.41  2.31  
 85  206  SG    43  0.41  2.55  
 86  210  HG2   43  0.41  2.55  
 87  216  N     44  0.53  2.18  
 88  217  HD3   44  0.53  2.18  
 89  219  NE2   45  0.45  2.27  
 90  219  NE2   46  0.40  2.13  
 91  219  HA    45  0.45  2.27  
 92  220  H     46  0.40  2.13  
 93  250  N     47  0.57  2.15  
 94  251  HD3   47  0.57  2.15  
 95  257  HA    48  0.40  2.47  
 96  261  CG    48  0.40  2.47  
 97  263  O     49  0.48  2.09  
 98  264  HD12  50  0.44  2.26  
 99  268  HD2   49  0.48  2.09  
100  270  NE2   50  0.44  2.26  
101  270  CD    51  0.40  2.19  
102  271  H     51  0.40  2.19  
103  275  HA    52  0.51  2.35  
104  280  O     53  0.43  2.13  
105  284  N     54  0.44  2.26  
106  285  HD3   54  0.44  2.26  
107  285  HD3   53  0.43  2.13  
108  288  CB    52  0.51  2.35  
109  292  CA    55  0.42  2.45  
110  293  O     56  0.45  2.11  
111  293  O     57  0.44  2.13  
112  295  HD3   56  0.45  2.11  
113  298  HD11  57  0.44  2.13  
114  301  N     58  0.54  2.17  
115  302  HD3   58  0.54  2.17  
116  305  HB3   55  0.42  2.45  
117  311  HA    59  0.45  2.41  
118  314  O     60  0.58  1.98  
119  315  CG1   59  0.45  2.41  
120  319  HD2   60  0.58  1.98  
121  325  O     61  0.51  2.06  
122  325  HA    62  0.42  2.45  
123  329  CD    62  0.42  2.45  
124  331  O     63  0.51  2.05  
125  332  HD11  61  0.51  2.06  
126  335  N     64  0.47  2.24  
127  336  HD3   63  0.51  2.05  
128  336  HD3   64  0.47  2.24  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  outlier  ?     
 2  2        ?     
 3  2        ?     
 4  2        ?     
 5  3        ?     
 6  1        ?     
 7  2        True  
 8  1        ?     
 9  3        ?     
10  1        ?     
11  3        True  
12  1        ?     
13  1        ?     
14  2        ?     
15  1        True  
16  3        ?     
17  1        ?     
18  3        ?     
19  1        ?     
20  2        ?     
#
_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  15
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.450
_pdbx_vrpt_cyrange_domain.medoid_model        15
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.602
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:16
#
_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                        assigned_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           90
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           90
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            90
_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   2  0.067  
 2  A  CYS   3  0.058  
 3  A  SER   4  0.041  
 4  A  ASN   5  0.030  
 5  A  PRO   6  0.029  
 6  A  ALA   7  0.028  
 7  A  CYS   8  0.027  
 8  A  ILE   9  0.022  
 9  A  LEU  10  0.028  
10  A  ASN  11  0.048  
11  A  ASN  12  0.068  
12  A  PRO  13  0.089  
13  A  ASN  14  0.098  
14  A  GLN  15  0.107  
15  A  CYS  16  0.108  
#
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  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
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   1    1  stereomethyl  stereomethyl  
 2  88  84  172  overall       Total         
 3  28  43   71  backbone      Total         
 4  60  41  101  sidechain     Total         
 5  88   5   93  overall       H             
 6  28   0   28  backbone      H             
 7  60   5   65  sidechain     H             
 8   0  61   61  overall       C             
 9   0  30   30  backbone      C             
10   0  31   31  sidechain     C             
11   0  18   18  overall       N             
12   0  13   13  backbone      N             
13   0   5    5  sidechain     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   1    1  stereomethyl  stereomethyl  
 2  90  88  178  overall       Total         
 3  30  47   77  backbone      Total         
 4  60  41  101  sidechain     Total         
 5  90   6   96  overall       H             
 6  30   1   31  backbone      H             
 7  60   5   65  sidechain     H             
 8   0  63   63  overall       C             
 9   0  32   32  backbone      C             
10   0  31   31  sidechain     C             
11   0  19   19  overall       N             
12   0  14   14  backbone      N             
13   0   5    5  sidechain     N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     171  
 2  "Intra-residue (|i-j|=0)"                        87  
 3  "Sequential (|i-j|=1)"                           37  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             25  
 5  "Long range (|i-j|>=5)"                          22  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             10.1  
12  "Number of long range restraints per residue"   1.3  
#
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                  87   50.9   6  3.5   6.9  13   7.6  14.9  
 2  Intra-residue  BackboneBackbone     13    7.6   0  0.0   0.0   0   0.0   0.0  
 3  Intra-residue  BackboneSidechain    50   29.2   3  1.8   6.0   9   5.3  18.0  
 4  Intra-residue  SidechainSidechain   24   14.0   3  1.8  12.5   4   2.3  16.7  
 5  Sequential     all                  37   21.6   0  0.0   0.0   5   2.9  13.5  
 6  Sequential     BackboneBackbone     10    5.8   0  0.0   0.0   0   0.0   0.0  
 7  Sequential     BackboneSidechain    23   13.5   0  0.0   0.0   4   2.3  17.4  
 8  Sequential     SidechainSidechain    4    2.3   0  0.0   0.0   1   0.6  25.0  
 9  MediumRange    all                  25   14.6   1  0.6   4.0   9   5.3  36.0  
10  MediumRange    BackboneBackbone      7    4.1   0  0.0   0.0   1   0.6  14.3  
11  MediumRange    BackboneSidechain    13    7.6   1  0.6   7.7   6   3.5  46.2  
12  MediumRange    SidechainSidechain    5    2.9   0  0.0   0.0   2   1.2  40.0  
13  LongRange      all                  22   12.9   3  1.8  13.6  13   7.6  59.1  
14  LongRange      BackboneBackbone      1    0.6   0  0.0   0.0   0   0.0   0.0  
15  LongRange      BackboneSidechain    10    5.8   1  0.6  10.0   6   3.5  60.0  
16  LongRange      SidechainSidechain   11    6.4   2  1.2  18.2   7   4.1  63.6  
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                   0    0.0   0  0.0   0.0   0   0.0   0.0  
23  Total          all                 171  100.0  10  5.8   5.8  40  23.4  23.4  
24  Total          BackboneBackbone     31   18.1   0  0.0   0.0   1   0.6   3.2  
25  Total          BackboneSidechain    96   56.1   5  2.9   5.2  25  14.6  26.0  
26  Total          SidechainSidechain   44   25.7   5  2.9  11.4  14   8.2  31.8  
#
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  2.79  0.91  0.40  0.82  
 2   2  3.52  0.88  0.44  0.82  
 3   3  3.44  1.02  0.70  0.89  
 4   4  3.13  0.94  0.75  0.81  
 5   5  2.65  0.99  0.80  0.69  
 6   6  3.81  1.02  0.67  0.87  
 7   7  2.07  0.87  0.40  0.68  
 8   8  3.66  0.98  0.84  0.84  
 9   9  2.67  0.91  0.79  0.72  
10  10  3.99  0.95  0.72  0.88  
11  11  2.70  0.79  0.38  0.71  
12  12  3.74  0.93  0.54  0.88  
13  13  3.89  0.87  0.45  0.85  
14  14  2.67  0.87  0.57  0.69  
15  15  2.73  0.83  0.62  0.68  
16  16  3.62  0.89  0.56  0.81  
17  17  3.93  0.96  0.69  0.88  
18  18  2.39  0.83  0.57  0.67  
19  19  3.73  0.91  0.70  0.82  
20  20  3.16  0.75  0.36  0.80  
#
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     1  
  3   1  medium         6  
  4   1  long          10  
  5   1  interchain     0  
  6   1  total         23  
  7   2  intraresidue  10  
  8   2  sequential     1  
  9   2  medium         6  
 10   2  long           8  
 11   2  interchain     0  
 12   2  total         25  
 13   3  intraresidue   9  
 14   3  sequential     2  
 15   3  medium         4  
 16   3  long           3  
 17   3  interchain     0  
 18   3  total         18  
 19   4  intraresidue   9  
 20   4  sequential     2  
 21   4  medium         5  
 22   4  long           7  
 23   4  interchain     0  
 24   4  total         23  
 25   5  intraresidue   8  
 26   5  sequential     1  
 27   5  medium         4  
 28   5  long           9  
 29   5  interchain     0  
 30   5  total         22  
 31   6  intraresidue   7  
 32   6  sequential     2  
 33   6  medium         4  
 34   6  long           8  
 35   6  interchain     0  
 36   6  total         21  
 37   7  intraresidue   7  
 38   7  sequential     2  
 39   7  medium         3  
 40   7  long           5  
 41   7  interchain     0  
 42   7  total         17  
 43   8  intraresidue   7  
 44   8  sequential     2  
 45   8  medium         6  
 46   8  long           8  
 47   8  interchain     0  
 48   8  total         23  
 49   9  intraresidue   8  
 50   9  sequential     1  
 51   9  medium         5  
 52   9  long           7  
 53   9  interchain     0  
 54   9  total         21  
 55  10  intraresidue   9  
 56  10  sequential     3  
 57  10  medium         5  
 58  10  long           9  
 59  10  interchain     0  
 60  10  total         26  
 61  11  intraresidue   8  
 62  11  sequential     2  
 63  11  medium         5  
 64  11  long          10  
 65  11  interchain     0  
 66  11  total         25  
 67  12  intraresidue   8  
 68  12  sequential     1  
 69  12  medium         5  
 70  12  long           9  
 71  12  interchain     0  
 72  12  total         23  
 73  13  intraresidue   9  
 74  13  sequential     1  
 75  13  medium         5  
 76  13  long           9  
 77  13  interchain     0  
 78  13  total         24  
 79  14  intraresidue   7  
 80  14  sequential     2  
 81  14  medium         3  
 82  14  long           6  
 83  14  interchain     0  
 84  14  total         18  
 85  15  intraresidue   8  
 86  15  sequential     1  
 87  15  medium         5  
 88  15  long          10  
 89  15  interchain     0  
 90  15  total         24  
 91  16  intraresidue   7  
 92  16  sequential     3  
 93  16  medium         5  
 94  16  long           9  
 95  16  interchain     0  
 96  16  total         24  
 97  17  intraresidue   8  
 98  17  sequential     1  
 99  17  medium         5  
100  17  long           9  
101  17  interchain     0  
102  17  total         23  
103  18  intraresidue   7  
104  18  sequential     2  
105  18  medium         5  
106  18  long           8  
107  18  interchain     0  
108  18  total         22  
109  19  intraresidue   9  
110  19  sequential     1  
111  19  medium         6  
112  19  long           9  
113  19  interchain     0  
114  19  total         25  
115  20  intraresidue   7  
116  20  sequential     3  
117  20  medium         5  
118  20  long           5  
119  20  interchain     0  
120  20  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    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  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   0  
  2   1  sequential     0  
  3   1  medium         2  
  4   1  long           1  
  5   1  interchain     0  
  6   1  total          3  
  7   2  intraresidue   1  
  8   2  sequential     0  
  9   2  medium         1  
 10   2  long           1  
 11   2  interchain     0  
 12   2  total          3  
 13   3  intraresidue   1  
 14   3  sequential     1  
 15   3  medium         0  
 16   3  long           1  
 17   3  interchain     0  
 18   3  total          3  
 19   4  intraresidue   2  
 20   4  sequential     1  
 21   4  medium         0  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total          3  
 25   5  intraresidue   1  
 26   5  sequential     0  
 27   5  medium         0  
 28   5  long           0  
 29   5  interchain     0  
 30   5  total          1  
 31   6  intraresidue   0  
 32   6  sequential     1  
 33   6  medium         0  
 34   6  long           1  
 35   6  interchain     0  
 36   6  total          2  
 37   7  intraresidue   0  
 38   7  sequential     0  
 39   7  medium         1  
 40   7  long           0  
 41   7  interchain     0  
 42   7  total          1  
 43   8  intraresidue   0  
 44   8  sequential     1  
 45   8  medium         0  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total          1  
 49   9  intraresidue   1  
 50   9  sequential     0  
 51   9  medium         0  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total          1  
 55  10  intraresidue   0  
 56  10  sequential     0  
 57  10  medium         0  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          0  
 61  11  intraresidue   1  
 62  11  sequential     0  
 63  11  medium         0  
 64  11  long           1  
 65  11  interchain     0  
 66  11  total          2  
 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           1  
 77  13  interchain     0  
 78  13  total          2  
 79  14  intraresidue   0  
 80  14  sequential     0  
 81  14  medium         0  
 82  14  long           0  
 83  14  interchain     0  
 84  14  total          0  
 85  15  intraresidue   0  
 86  15  sequential     0  
 87  15  medium         0  
 88  15  long           2  
 89  15  interchain     0  
 90  15  total          2  
 91  16  intraresidue   0  
 92  16  sequential     0  
 93  16  medium         2  
 94  16  long           2  
 95  16  interchain     0  
 96  16  total          4  
 97  17  intraresidue   0  
 98  17  sequential     0  
 99  17  medium         2  
100  17  long           0  
101  17  interchain     0  
102  17  total          2  
103  18  intraresidue   0  
104  18  sequential     0  
105  18  medium         0  
106  18  long           0  
107  18  interchain     0  
108  18  total          0  
109  19  intraresidue   0  
110  19  sequential     0  
111  19  medium         0  
112  19  long           0  
113  19  interchain     0  
114  19  total          0  
115  20  intraresidue   6  
116  20  sequential     0  
117  20  medium         1  
118  20  long           3  
119  20  interchain     0  
120  20  total         10  
#
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   3.7  
2  0.2-0.5  0.5   6.9  
3  >0.5     4.0  11.8  
#
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   46  1  .  A   6  PRO  ?     1  A   6  HB3   A  .   1  GLY   1  A  1  ?     HA2   20  3.13  3.30  0.70  
 2   24  1  .  A   3  CYS  ?     1  A   3  HB2   A  .  14  ASN  14  A  1  ?     HD22  20  2.25  2.20  0.37  
 3  162  1  .  A  15  GLN  ?     1  A  15  HE21  A  .  15  GLN  15  A  1  ?     H     20  1.67  1.72  0.11  
 4   41  1  .  A   5  ASN  ?     1  A   5  HB3   A  .  12  ASN  12  A  1  ?     HD21  20  1.51  1.44  0.40  
 5  165  1  .  A  15  GLN  ?     1  A  15  HG3   A  .  12  ASN  12  A  1  ?     H     20  1.19  1.19  0.22  
 6  128  1  .  A  12  ASN  ?     1  A  12  HB3   A  .  12  ASN  12  A  1  ?     HD21  20  0.58  0.48  0.24  
 7  150  1  .  A  13  PRO  ?     1  A  13  HG2   A  .  13  PRO  13  A  1  ?     HD3   20  0.51  0.44  0.13  
 8   14  1  .  A   2  CYS  ?     1  A   2  HB3   A  .   2  CYS   2  A  1  ?     H     20  0.42  0.39  0.16  
 9   48  1  .  A   6  PRO  ?     1  A   6  HB3   A  .   6  PRO   6  A  1  ?     HD2   20  0.37  0.36  0.02  
10   70  1  .  A   8  CYS  ?     1  A   8  HB3   A  .   8  CYS   8  A  1  ?     H     20  0.32  0.32  0.04  
11  122  1  .  A  11  ASN  ?     1  A  11  HB3   A  .  13  PRO  13  A  1  ?     HD2   17  1.22  1.23  0.35  
12  139  1  .  A  13  PRO  ?     1  A  13  HB3   A  .  15  GLN  15  A  1  ?     H     17  0.26  0.26  0.07  
13  119  1  .  A  11  ASN  ?     1  A  11  HB3   A  .   8  CYS   8  A  1  ?     HA    16  1.65  1.75  0.18  
14   69  1  .  A   8  CYS  ?     1  A   8  HB2   A  .  14  ASN  14  A  1  ?     HD21  16  1.55  1.56  0.20  
15   20  1  .  A   2  CYS  ?     1  A   2  HB3   A  .  14  ASN  14  A  1  ?     HD21  16  0.95  0.99  0.22  
16   61  1  .  A   7  ALA  ?     1  A   7  HB2   A  .   5  ASN   5  A  1  ?     HD21  16  0.18  0.16  0.08  
17   61  1  .  A   7  ALA  ?     1  A   7  HB1   A  .   5  ASN   5  A  1  ?     HD21  16  0.18  0.16  0.08  
18   61  1  .  A   7  ALA  ?     1  A   7  HB3   A  .   5  ASN   5  A  1  ?     HD21  16  0.18  0.16  0.08  
19   74  1  .  A   8  CYS  ?     1  A   8  HB3   A  .  14  ASN  14  A  1  ?     HD21  15  1.10  1.03  0.26  
20    6  1  .  A   2  CYS  ?     1  A   2  HA    A  .  14  ASN  14  A  1  ?     HD21  15  0.60  0.56  0.21  
21   90  1  .  A   9  ILE  ?     1  A   9  HG12  A  .  10  LEU  10  A  1  ?     H     13  0.17  0.16  0.04  
22  158  1  .  A  15  GLN  ?     1  A  15  HB2   A  .   9  ILE   9  A  1  ?     HA    13  0.15  0.14  0.03  
23  167  1  .  A  16  CYS  ?     1  A  16  HB2   A  .   3  CYS   3  A  1  ?     H     11  1.11  1.27  0.38  
24  120  1  .  A  11  ASN  ?     1  A  11  HB3   A  .  11  ASN  11  A  1  ?     H     11  0.15  0.14  0.03  
25  168  1  .  A  16  CYS  ?     1  A  16  HB2   A  .  16  CYS  16  A  1  ?     H      9  0.24  0.29  0.08  
26   73  1  .  A   8  CYS  ?     1  A   8  HB3   A  .   9  ILE   9  A  1  ?     H      8  0.19  0.19  0.06  
27   50  1  .  A   6  PRO  ?     1  A   6  HD2   A  .   2  CYS   2  A  1  ?     HA     7  0.23  0.23  0.07  
28  138  1  .  A  13  PRO  ?     1  A  13  HB3   A  .  14  ASN  14  A  1  ?     H      6  0.40  0.40  0.05  
29   22  1  .  A   3  CYS  ?     1  A   3  HA    A  .  15  GLN  15  A  1  ?     HE22   6  0.27  0.24  0.13  
30   33  1  .  A   4  SER  ?     1  A   4  HB3   A  .   4  SER   4  A  1  ?     H      5  0.77  0.79  0.05  
31  154  1  .  A  14  ASN  ?     1  A  14  HB3   A  .  15  GLN  15  A  1  ?     HE21   4  1.11  1.08  0.14  
32  110  1  .  A  10  LEU  ?     1  A  10  HD12  A  .  10  LEU  10  A  1  ?     HB2    4  0.51  0.50  0.01  
33  110  1  .  A  10  LEU  ?     1  A  10  HD11  A  .  10  LEU  10  A  1  ?     HB2    4  0.51  0.50  0.01  
34  110  1  .  A  10  LEU  ?     1  A  10  HD13  A  .  10  LEU  10  A  1  ?     HB2    4  0.51  0.50  0.01  
35    7  1  .  A   2  CYS  ?     1  A   2  HB2   A  .   2  CYS   2  A  1  ?     H      4  0.40  0.40  0.02  
36   25  1  .  A   3  CYS  ?     1  A   3  HB3   A  .   3  CYS   3  A  1  ?     H      3  0.74  0.72  0.04  
37  148  1  .  A  13  PRO  ?     1  A  13  HG2   A  .   8  CYS   8  A  1  ?     HA     3  0.45  0.32  0.28  
38  141  1  .  A  13  PRO  ?     1  A  13  HD2   A  .  12  ASN  12  A  1  ?     HA     3  0.15  0.15  0.00  
39  109  1  .  A  10  LEU  ?     1  A  10  HD12  A  .  10  LEU  10  A  1  ?     HA     2  0.34  0.34  0.05  
40  109  1  .  A  10  LEU  ?     1  A  10  HD11  A  .  10  LEU  10  A  1  ?     HA     2  0.34  0.34  0.05  
41  109  1  .  A  10  LEU  ?     1  A  10  HD13  A  .  10  LEU  10  A  1  ?     HA     2  0.34  0.34  0.05  
42   11  1  .  A   2  CYS  ?     1  A   2  HB2   A  .   8  CYS   8  A  1  ?     HB2    2  0.11  0.11  0.00  
43   65  1  .  A   8  CYS  ?     1  A   8  HA    A  .  11  ASN  11  A  1  ?     HD22   2  0.11  0.11  0.00  
#
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   46  1  159  154  HB3   HA2   3.99  
  2   46  1  278  273  HB3   HA2   3.93  
  3   46  1  210  205  HB3   HA2   3.89  
  4   46  1   91   86  HB3   HA2   3.81  
  5   46  1  193  188  HB3   HA2   3.74  
  6   46  1  312  307  HB3   HA2   3.73  
  7   46  1  125  120  HB3   HA2   3.66  
  8   46  1  261  256  HB3   HA2   3.62  
  9   46  1   23   18  HB3   HA2   3.52  
 10   46  1   40   35  HB3   HA2   3.44  
 11   46  1  329  324  HB3   HA2   3.16  
 12   46  1   57   52  HB3   HA2   3.13  
 13   24  1   54   65  HB2   HD22  2.84  
 14   24  1  190  201  HB2   HD22  2.80  
 15   24  1    3   14  HB2   HD22  2.79  
 16   24  1  241  252  HB2   HD22  2.73  
 17   46  1    6    1  HB3   HA2   2.71  
 18   46  1  176  171  HB3   HA2   2.70  
 19   46  1  142  137  HB3   HA2   2.67  
 20   46  1  227  222  HB3   HA2   2.67  
 21   24  1  156  167  HB2   HD22  2.66  
 22   24  1   71   82  HB2   HD22  2.65  
 23   41  1  124  131  HB3   HD21  2.51  
 24   46  1  295  290  HB3   HA2   2.39  
 25   46  1   74   69  HB3   HA2   2.38  
 26   24  1   37   48  HB2   HD22  2.38  
 27   24  1  258  269  HB2   HD22  2.26  
 28   24  1  292  303  HB2   HD22  2.26  
 29   41  1   90   97  HB3   HD21  2.24  
 30   24  1  173  184  HB2   HD22  2.21  
 31   24  1  275  286  HB2   HD22  2.19  
 32   41  1    5   12  HB3   HD21  2.08  
 33   24  1  224  235  HB2   HD22  2.08  
 34  122  1   45   47  HB3   HD2   2.08  
 35   24  1  105  116  HB2   HD22  2.07  
 36   24  1  139  150  HB2   HD22  2.03  
 37   24  1  326  337  HB2   HD22  1.99  
 38   24  1   20   31  HB2   HD22  1.97  
 39   46  1  108  103  HB3   HA2   1.95  
 40   24  1  309  320  HB2   HD22  1.91  
 41   41  1   73   80  HB3   HD21  1.84  
 42  119  1  283  280  HB3   HA    1.83  
 43   24  1   88   99  HB2   HD22  1.82  
 44   69  1  212  218  HB2   HD21  1.81  
 45   69  1   25   31  HB2   HD21  1.80  
 46  119  1   11    8  HB3   HA    1.80  
 47  119  1  249  246  HB3   HA    1.80  
 48  162  1   15   15  HE21  H     1.79  
 49  162  1  100  100  HE21  H     1.78  
 50  119  1   45   42  HB3   HA    1.78  
 51  119  1  147  144  HB3   HA    1.78  
 52  119  1  164  161  HB3   HA    1.78  
 53   69  1  314  320  HB2   HD21  1.77  
 54  162  1   83   83  HE21  H     1.77  
 55  119  1  181  178  HB3   HA    1.77  
 56  119  1  317  314  HB3   HA    1.77  
 57   41  1  192  199  HB3   HD21  1.76  
 58  162  1   32   32  HE21  H     1.76  
 59  162  1  219  219  HE21  H     1.76  
 60  162  1  185  185  HE21  H     1.74  
 61  119  1   96   93  HB3   HA    1.74  
 62  162  1  134  134  HE21  H     1.73  
 63  162  1  117  117  HE21  H     1.72  
 64  162  1  151  151  HE21  H     1.72  
 65  162  1  253  253  HE21  H     1.72  
 66  162  1  287  287  HE21  H     1.72  
 67   69  1  127  133  HB2   HD21  1.71  
 68  162  1  270  270  HE21  H     1.70  
 69  162  1  321  321  HE21  H     1.70  
 70   69  1   59   65  HB2   HD21  1.69  
 71   24  1  122  133  HB2   HD22  1.69  
 72  162  1  202  202  HE21  H     1.69  
 73  119  1   28   25  HB3   HA    1.68  
 74  162  1  168  168  HE21  H     1.66  
 75  119  1  266  263  HB3   HA    1.62  
 76   69  1  280  286  HB2   HD21  1.61  
 77   24  1  207  218  HB2   HD22  1.61  
 78   69  1  263  269  HB2   HD21  1.58  
 79   69  1  178  184  HB2   HD21  1.57  
 80   41  1   22   29  HB3   HD21  1.57  
 81   69  1    8   14  HB2   HD21  1.56  
 82   46  1  244  239  HB3   HA2   1.56  
 83  162  1  236  236  HE21  H     1.56  
 84  162  1  304  304  HE21  H     1.56  
 85  119  1   79   76  HB3   HA    1.55  
 86   74  1   25   31  HB3   HD21  1.54  
 87   69  1  161  167  HB2   HD21  1.54  
 88   74  1  212  218  HB3   HD21  1.53  
 89   41  1  158  165  HB3   HD21  1.53  
 90   74  1   59   65  HB3   HD21  1.52  
 91  165  1  100   97  HG3   H     1.52  
 92  162  1   66   66  HE21  H     1.52  
 93  122  1  147  149  HB3   HD2   1.52  
 94  165  1   66   63  HG3   H     1.51  
 95   69  1  246  252  HB2   HD21  1.49  
 96   41  1  226  233  HB3   HD21  1.49  
 97  122  1  113  115  HB3   HD2   1.49  
 98  122  1  283  285  HB3   HD2   1.49  
 99   41  1  294  301  HB3   HD21  1.48  
100   69  1  195  201  HB2   HD21  1.47  
101  119  1  113  110  HB3   HA    1.47  
102   41  1  311  318  HB3   HD21  1.45  
103  162  1  338  338  HE21  H     1.45  
104   69  1  297  303  HB2   HD21  1.44  
105  165  1  338  335  HG3   H     1.44  
106  162  1   49   49  HE21  H     1.44  
107  165  1  219  216  HG3   H     1.43  
108   41  1  328  335  HB3   HD21  1.42  
109   69  1  144  150  HB2   HD21  1.41  
110  165  1  236  233  HG3   H     1.40  
111   41  1  175  182  HB3   HD21  1.39  
112  122  1  300  302  HB3   HD2   1.37  
113   69  1   76   82  HB2   HD21  1.36  
114  165  1   49   46  HG3   H     1.36  
115   41  1  260  267  HB3   HD21  1.34  
116  167  1  220  207  HB2   H     1.34  
117  154  1  116  117  HB3   HE21  1.34  
118  119  1   62   59  HB3   HA    1.34  
119  119  1  300  297  HB3   HA    1.34  
120   74  1  280  286  HB3   HD21  1.33  
121  119  1  130  127  HB3   HA    1.33  
122  167  1  135  122  HB2   H     1.31  
123  167  1  169  156  HB2   H     1.31  
124  122  1  249  251  HB3   HD2   1.31  
125   41  1  141  148  HB3   HD21  1.30  
126  167  1  339  326  HB2   H     1.30  
127  165  1  134  131  HG3   H     1.30  
128  165  1  321  318  HG3   H     1.30  
129  122  1   28   30  HB3   HD2   1.30  
130  167  1  254  241  HB2   H     1.28  
131  167  1  101   88  HB2   H     1.27  
132  165  1  270  267  HG3   H     1.27  
133   41  1  277  284  HB3   HD21  1.26  
134  167  1  203  190  HB2   H     1.26  
135  122  1   62   64  HB3   HD2   1.26  
136  167  1   84   71  HB2   H     1.25  
137  167  1  322  309  HB2   H     1.25  
138   41  1   39   46  HB3   HD21  1.24  
139   20  1  206  218  HB3   HD21  1.24  
140  122  1   79   81  HB3   HD2   1.23  
141   74  1  161  167  HB3   HD21  1.22  
142  165  1   15   12  HG3   H     1.22  
143   41  1  243  250  HB3   HD21  1.19  
144  122  1  164  166  HB3   HD2   1.19  
145   41  1  209  216  HB3   HD21  1.18  
146  165  1  151  148  HG3   H     1.17  
147   20  1  308  320  HB3   HD21  1.16  
148  165  1  117  114  HG3   H     1.15  
149  122  1   96   98  HB3   HD2   1.15  
150   41  1  107  114  HB3   HD21  1.14  
151   20  1    2   14  HB3   HD21  1.13  
152   20  1   19   31  HB3   HD21  1.13  
153   20  1  274  286  HB3   HD21  1.13  
154  165  1  168  165  HG3   H     1.13  
155  165  1  202  199  HG3   H     1.13  
156  122  1  181  183  HB3   HD2   1.13  
157  122  1   11   13  HB3   HD2   1.11  
158   20  1  121  133  HB3   HD21  1.10  
159  165  1   83   80  HG3   H     1.10  
160  154  1  337  338  HB3   HE21  1.09  
161   74  1  144  150  HB3   HD21  1.07  
162  154  1  235  236  HB3   HE21  1.07  
163   74  1  246  252  HB3   HD21  1.06  
164   20  1  257  269  HB3   HD21  1.06  
165   74  1    8   14  HB3   HD21  1.03  
166   20  1   53   65  HB3   HD21  1.02  
167   74  1  195  201  HB3   HD21  1.00  
168   69  1   93   99  HB2   HD21  1.00  
169  165  1  304  301  HG3   H     0.98  
170  122  1  266  268  HB3   HD2   0.98  
171  122  1  317  319  HB3   HD2   0.98  
172   74  1  297  303  HB3   HD21  0.97  
173   20  1  172  184  HB3   HD21  0.97  
174   20  1  155  167  HB3   HD21  0.96  
175  165  1  253  250  HG3   H     0.95  
176  154  1   48   49  HB3   HE21  0.95  
177  128  1  233  233  HB3   HD21  0.94  
178  128  1   80   80  HB3   HD21  0.93  
179    6  1  308  320  HA    HD21  0.92  
180  128  1   63   63  HB3   HD21  0.92  
181  128  1  199  199  HB3   HD21  0.92  
182  128  1  165  165  HB3   HD21  0.91  
183   20  1  189  201  HB3   HD21  0.89  
184   74  1  178  184  HB3   HD21  0.88  
185  165  1  185  182  HG3   H     0.88  
186  165  1  287  284  HG3   H     0.88  
187   74  1  314  320  HB3   HD21  0.87  
188  128  1  131  131  HB3   HD21  0.87  
189   20  1  240  252  HB3   HD21  0.85  
190   74  1  127  133  HB3   HD21  0.84  
191    6  1  121  133  HA    HD21  0.84  
192    6  1  240  252  HA    HD21  0.84  
193  148  1  234  229  HG2   HA    0.84  
194   74  1   76   82  HB3   HD21  0.82  
195   33  1  174  174  HB3   H     0.82  
196   33  1  140  140  HB3   H     0.81  
197   74  1  263  269  HB3   HD21  0.79  
198    6  1  274  286  HA    HD21  0.79  
199   33  1   72   72  HB3   H     0.79  
200   25  1   54   54  HB3   H     0.79  
201   20  1  138  150  HB3   HD21  0.79  
202   33  1   21   21  HB3   H     0.78  
203    6  1  206  218  HA    HD21  0.77  
204   41  1   56   63  HB3   HD21  0.75  
205   20  1   70   82  HB3   HD21  0.75  
206  165  1   32   29  HG3   H     0.75  
207   14  1  155  155  HB3   H     0.74  
208  122  1  130  132  HB3   HD2   0.73  
209   25  1   20   20  HB3   H     0.72  
210    6  1  155  167  HA    HD21  0.71  
211   20  1  291  303  HB3   HD21  0.71  
212   14  1  206  206  HB3   H     0.71  
213    6  1   87   99  HA    HD21  0.70  
214   25  1   37   37  HB3   H     0.70  
215  150  1  319  319  HG2   HD3   0.70  
216  150  1  166  166  HG2   HD3   0.69  
217   14  1   36   36  HB3   H     0.69  
218   14  1  274  274  HB3   H     0.69  
219  150  1  268  268  HG2   HD3   0.68  
220   33  1   55   55  HB3   H     0.67  
221  150  1   81   81  HG2   HD3   0.67  
222  150  1   98   98  HG2   HD3   0.67  
223  128  1   12   12  HB3   HD21  0.66  
224  128  1   97   97  HB3   HD21  0.66  
225  150  1  234  234  HG2   HD3   0.64  
226  150  1  132  132  HG2   HD3   0.62  
227  128  1  301  301  HB3   HD21  0.62  
228  150  1  200  200  HG2   HD3   0.60  
229  150  1  285  285  HG2   HD3   0.59  
230  128  1  267  267  HB3   HD21  0.58  
231    6  1  172  184  HA    HD21  0.56  
232    6  1  189  201  HA    HD21  0.54  
233   14  1  257  257  HB3   H     0.54  
234    6  1  291  303  HA    HD21  0.52  
235  110  1  265  265  HD12  HB2   0.52  
236  110  1  265  265  HD11  HB2   0.52  
237  110  1  265  265  HD13  HB2   0.52  
238  110  1  214  214  HD12  HB2   0.50  
239  110  1  214  214  HD11  HB2   0.50  
240  110  1  214  214  HD13  HB2   0.50  
241  110  1  231  231  HD12  HB2   0.50  
242  110  1  231  231  HD11  HB2   0.50  
243  110  1  231  231  HD13  HB2   0.50  
244  110  1  316  316  HD12  HB2   0.50  
245  110  1  316  316  HD11  HB2   0.50  
246  110  1  316  316  HD13  HB2   0.50  
247  138  1  200  201  HB3   H     0.49  
248    6  1   70   82  HA    HD21  0.48  
249   22  1  258  270  HA    HE22  0.48  
250   14  1   87   87  HB3   H     0.48  
251   61  1  143  141  HB2   HD21  0.46  
252   61  1  143  141  HB1   HD21  0.46  
253   61  1  143  141  HB3   HD21  0.46  
254  167  1  237  224  HB2   H     0.46  
255   14  1  189  189  HB3   H     0.45  
256  138  1   98   99  HB3   H     0.45  
257  150  1   30   30  HG2   HD3   0.44  
258  150  1  149  149  HG2   HD3   0.44  
259  139  1   98  100  HB3   H     0.43  
260    7  1   36   36  HB2   H     0.42  
261  150  1  302  302  HG2   HD3   0.42  
262   14  1  121  121  HB3   H     0.42  
263   70  1  331  331  HB3   H     0.41  
264   14  1   19   19  HB3   H     0.41  
265    7  1  206  206  HB2   H     0.40  
266    6  1    2   14  HA    HD21  0.40  
267   48  1  159  159  HB3   HD2   0.40  
268   48  1  227  227  HB3   HD2   0.40  
269  150  1   47   47  HG2   HD3   0.40  
270  150  1  115  115  HG2   HD3   0.40  
271  150  1  217  217  HG2   HD3   0.40  
272   14  1  223  223  HB3   H     0.40  
273  138  1   81   82  HB3   H     0.40  
274  138  1  132  133  HB3   H     0.40  
275    7  1  274  274  HB2   H     0.39  
276   48  1  193  193  HB3   HD2   0.39  
277   22  1  292  304  HA    HE22  0.39  
278  150  1   13   13  HG2   HD3   0.39  
279  150  1   64   64  HG2   HD3   0.39  
280  150  1  251  251  HG2   HD3   0.39  
281  150  1  336  336  HG2   HD3   0.39  
282  139  1  319  321  HB3   H     0.39  
283  109  1  197  197  HD12  HA    0.39  
284  109  1  197  197  HD11  HA    0.39  
285  109  1  197  197  HD13  HA    0.39  
286    6  1   53   65  HA    HD21  0.38  
287   48  1   23   23  HB3   HD2   0.38  
288   48  1   57   57  HB3   HD2   0.38  
289   48  1   74   74  HB3   HD2   0.38  
290   48  1  210  210  HB3   HD2   0.38  
291   48  1  244  244  HB3   HD2   0.38  
292  150  1  183  183  HG2   HD3   0.38  
293   14  1    2    2  HB3   H     0.38  
294  128  1  148  148  HB3   HD21  0.38  
295  128  1  318  318  HB3   HD21  0.38  
296    7  1  155  155  HB2   H     0.37  
297   48  1   40   40  HB3   HD2   0.37  
298   48  1  278  278  HB3   HD2   0.37  
299   14  1  308  308  HB3   H     0.37  
300  128  1  250  250  HB3   HD21  0.37  
301   70  1  161  161  HB3   H     0.36  
302   70  1  280  280  HB3   H     0.36  
303   48  1  108  108  HB3   HD2   0.36  
304   48  1  261  261  HB3   HD2   0.36  
305   48  1  329  329  HB3   HD2   0.36  
306  138  1  166  167  HB3   H     0.36  
307  128  1  182  182  HB3   HD21  0.36  
308  128  1  284  284  HB3   HD21  0.36  
309  128  1  335  335  HB3   HD21  0.36  
310  122  1  334  336  HB3   HD2   0.36  
311   70  1  110  110  HB3   H     0.35  
312   70  1  212  212  HB3   H     0.35  
313   70  1  229  229  HB3   H     0.35  
314   48  1    6    6  HB3   HD2   0.35  
315   48  1   91   91  HB3   HD2   0.35  
316   48  1  125  125  HB3   HD2   0.35  
317   48  1  142  142  HB3   HD2   0.35  
318   48  1  176  176  HB3   HD2   0.35  
319   48  1  312  312  HB3   HD2   0.35  
320  128  1   46   46  HB3   HD21  0.35  
321  128  1  114  114  HB3   HD21  0.35  
322   70  1    8    8  HB3   H     0.34  
323   70  1  246  246  HB3   H     0.34  
324   20  1   87   99  HB3   HD21  0.34  
325  128  1   29   29  HB3   HD21  0.34  
326  128  1  216  216  HB3   HD21  0.34  
327   70  1   59   59  HB3   H     0.33  
328  138  1  268  269  HB3   H     0.33  
329   70  1   25   25  HB3   H     0.32  
330   70  1   42   42  HB3   H     0.32  
331  168  1   84   84  HB2   H     0.32  
332  168  1  101  101  HB2   H     0.32  
333  148  1  285  280  HG2   HA    0.32  
334   14  1  172  172  HB3   H     0.32  
335  139  1   81   83  HB3   H     0.32  
336  139  1  166  168  HB3   H     0.32  
337   70  1  195  195  HB3   H     0.31  
338   70  1  263  263  HB3   H     0.31  
339   48  1  295  295  HB3   HD2   0.31  
340  139  1  251  253  HB3   H     0.31  
341   70  1  127  127  HB3   H     0.30  
342   70  1  297  297  HB3   H     0.30  
343   70  1  314  314  HB3   H     0.30  
344   50  1   23   19  HD2   HA    0.30  
345   50  1  193  189  HD2   HA    0.30  
346   50  1  227  223  HD2   HA    0.30  
347  168  1  203  203  HB2   H     0.30  
348  168  1  254  254  HB2   H     0.30  
349   14  1  138  138  HB3   H     0.30  
350  139  1  268  270  HB3   H     0.30  
351  101  1  197  194  HB2   HA    0.30  
352    6  1   19   31  HA    HD21  0.29  
353  168  1  169  169  HB2   H     0.29  
354   14  1  291  291  HB3   H     0.29  
355   73  1   93   94  HB3   H     0.28  
356   70  1   93   93  HB3   H     0.28  
357  109  1   27   27  HD12  HA    0.28  
358  109  1   27   27  HD11  HA    0.28  
359  109  1   27   27  HD13  HA    0.28  
360   70  1  178  178  HB3   H     0.27  
361   14  1  104  104  HB3   H     0.27  
362   14  1  240  240  HB3   H     0.27  
363   14  1  325  325  HB3   H     0.27  
364  139  1   64   66  HB3   H     0.27  
365   90  1   60   61  HG12  H     0.26  
366   73  1  263  264  HB3   H     0.26  
367   70  1  144  144  HB3   H     0.26  
368  139  1  200  202  HB3   H     0.26  
369  139  1  217  219  HB3   H     0.26  
370   70  1   76   76  HB3   H     0.25  
371   22  1  224  236  HA    HE22  0.25  
372   14  1   70   70  HB3   H     0.25  
373  139  1  132  134  HB3   H     0.25  
374   61  1  177  175  HB2   HD21  0.24  
375   61  1  177  175  HB1   HD21  0.24  
376   61  1  177  175  HB3   HD21  0.24  
377   61  1  262  260  HB2   HD21  0.24  
378   61  1  262  260  HB1   HD21  0.24  
379   61  1  262  260  HB3   HD21  0.24  
380   22  1  173  185  HA    HE22  0.24  
381  168  1  322  322  HB2   H     0.24  
382   14  1   53   53  HB3   H     0.24  
383  139  1  183  185  HB3   H     0.24  
384   73  1  127  128  HB3   H     0.23  
385   50  1  210  206  HD2   HA    0.23  
386  158  1   83   77  HB2   HA    0.22  
387  158  1  117  111  HB2   HA    0.22  
388  139  1  302  304  HB3   H     0.22  
389   90  1   43   44  HG12  H     0.21  
390   73  1  314  315  HB3   H     0.21  
391    6  1  257  269  HA    HD21  0.21  
392   50  1    6    2  HD2   HA    0.20  
393  120  1  249  249  HB3   H     0.20  
394   90  1  230  231  HG12  H     0.19  
395   90  1  332  333  HG12  H     0.19  
396  158  1  219  213  HB2   HA    0.19  
397  148  1   13    8  HG2   HA    0.19  
398  139  1   13   15  HB3   H     0.19  
399  139  1   30   32  HB3   H     0.19  
400  139  1  336  338  HB3   H     0.19  
401  120  1   45   45  HB3   H     0.19  
402   61  1    7    5  HB2   HD21  0.18  
403   61  1    7    5  HB1   HD21  0.18  
404   61  1    7    5  HB3   HD21  0.18  
405   61  1  313  311  HB2   HD21  0.18  
406   61  1  313  311  HB1   HD21  0.18  
407   61  1  313  311  HB3   HD21  0.18  
408  158  1  202  196  HB2   HA    0.18  
409  120  1  113  113  HB3   H     0.18  
410   90  1  145  146  HG12  H     0.17  
411   90  1  298  299  HG12  H     0.17  
412   73  1  178  179  HB3   H     0.17  
413   61  1  126  124  HB2   HD21  0.17  
414   61  1  126  124  HB1   HD21  0.17  
415   61  1  126  124  HB3   HD21  0.17  
416   61  1  296  294  HB2   HD21  0.17  
417   61  1  296  294  HB1   HD21  0.17  
418   61  1  296  294  HB3   HD21  0.17  
419   61  1  330  328  HB2   HD21  0.17  
420   61  1  330  328  HB1   HD21  0.17  
421   61  1  330  328  HB3   HD21  0.17  
422  167  1   16    3  HB2   H     0.17  
423  139  1  285  287  HB3   H     0.17  
424   90  1   26   27  HG12  H     0.16  
425   90  1  162  163  HG12  H     0.16  
426   73  1  297  298  HB3   H     0.16  
427   50  1  125  121  HD2   HA    0.16  
428  158  1  100   94  HB2   HA    0.16  
429  141  1  251  250  HD2   HA    0.16  
430  139  1  149  151  HB3   H     0.16  
431   61  1  245  243  HB2   HD21  0.15  
432   61  1  245  243  HB1   HD21  0.15  
433   61  1  245  243  HB3   HD21  0.15  
434   61  1  279  277  HB2   HD21  0.15  
435   61  1  279  277  HB1   HD21  0.15  
436   61  1  279  277  HB3   HD21  0.15  
437  141  1   64   63  HD2   HA    0.15  
438  141  1  183  182  HD2   HA    0.15  
439  120  1  147  147  HB3   H     0.15  
440  120  1  283  283  HB3   H     0.15  
441   90  1    9   10  HG12  H     0.14  
442   90  1  213  214  HG12  H     0.14  
443   61  1  211  209  HB2   HD21  0.14  
444   61  1  211  209  HB1   HD21  0.14  
445   61  1  211  209  HB3   HD21  0.14  
446   61  1  228  226  HB2   HD21  0.14  
447   61  1  228  226  HB1   HD21  0.14  
448   61  1  228  226  HB3   HD21  0.14  
449   22  1   20   32  HA    HE22  0.14  
450  168  1  220  220  HB2   H     0.14  
451  158  1   15    9  HB2   HA    0.14  
452  158  1  287  281  HB2   HA    0.14  
453  120  1   28   28  HB3   H     0.14  
454  120  1  181  181  HB3   H     0.14  
455  120  1  317  317  HB3   H     0.14  
456   90  1  111  112  HG12  H     0.13  
457   90  1  281  282  HG12  H     0.13  
458   50  1  312  308  HD2   HA    0.13  
459  168  1  135  135  HB2   H     0.13  
460  168  1  339  339  HB2   H     0.13  
461  158  1  168  162  HB2   HA    0.13  
462  158  1  270  264  HB2   HA    0.13  
463  158  1  321  315  HB2   HA    0.13  
464  158  1  338  332  HB2   HA    0.13  
465  126  1   63   65  HA    H     0.13  
466  120  1   62   62  HB3   H     0.13  
467   73  1  161  162  HB3   H     0.12  
468   73  1  331  332  HB3   H     0.12  
469   61  1  194  192  HB2   HD21  0.12  
470   61  1  194  192  HB1   HD21  0.12  
471   61  1  194  192  HB3   HD21  0.12  
472   22  1  105  117  HA    HE22  0.12  
473  158  1  185  179  HB2   HA    0.12  
474  158  1  253  247  HB2   HA    0.12  
475  120  1  164  164  HB3   H     0.12  
476   12  1  240  246  HB2   HB3   0.12  
477   11  1  172  178  HB2   HB2   0.12  
478   90  1  264  265  HG12  H     0.11  
479   65  1  212  215  HA    HD22  0.11  
480   65  1  331  334  HA    HD22  0.11  
481   61  1   24   22  HB2   HD21  0.11  
482   61  1   24   22  HB1   HD21  0.11  
483   61  1   24   22  HB3   HD21  0.11  
484   61  1   41   39  HB2   HD21  0.11  
485   61  1   41   39  HB1   HD21  0.11  
486   61  1   41   39  HB3   HD21  0.11  
487   61  1  160  158  HB2   HD21  0.11  
488   61  1  160  158  HB1   HD21  0.11  
489   61  1  160  158  HB3   HD21  0.11  
490  120  1  300  300  HB3   H     0.11  
491   11  1  138  144  HB2   HB2   0.11  
#
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  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
