data_2LS1

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2LS1   
BMRB  18405  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2LS1
_pdbx_vrpt_summary.PDB_deposition_date         2012-04-18
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:03:19
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Uncharacterized protein"
#
_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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3  100.00  154315  ?     ?     
6  2  3  100.00   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A  100.00  
36  6  3  A   9  1  A  100.00  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A  100.00  
40  6  3  A  10  1  A  100.00  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A  100.00  
52  6  3  A  13  1  A  100.00  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
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  1.06  0.86  148  200  
 2   2  1  A  A  0.99  0.85  148  200  
 3   3  1  A  A  1.06  0.86  148  200  
 4   4  1  A  A  1.05  0.86  148  200  
 5   5  1  A  A  1.03  0.86  148  200  
 6   6  1  A  A  1.03  0.86  148  200  
 7   7  1  A  A  1.04  0.86  148  200  
 8   8  1  A  A  1.06  0.86  148  200  
 9   9  1  A  A  1.07  0.86  148  200  
10  10  1  A  A  1.03  0.86  148  200  
11  11  1  A  A  1.00  0.86  148  200  
12  12  1  A  A  1.00  0.85  148  200  
13  13  1  A  A  1.04  0.85  148  200  
14  14  1  A  A  1.05  0.85  148  200  
15  15  1  A  A  1.07  0.86  148  200  
16  16  1  A  A  1.04  0.85  148  200  
17  17  1  A  A  1.00  0.86  148  200  
18  18  1  A  A  1.05  0.85  148  200  
19  19  1  A  A  1.03  0.86  148  200  
20  20  1  A  A  1.01  0.85  148  200  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       0.00
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               2480
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2960
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.86
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            4000
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.04
#
_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            16
_pdbx_vrpt_summary_nmr.medoid_model                             16
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              73.81
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  76.86
#
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
  1   1  1  A   1  CYS  A   1  .  ?     
  2   1  1  A   2  VAL  A   2  .  ?     
  3   1  1  A   3  TRP  A   3  .  ?     
  4   1  1  A   4  GLY  A   4  .  ?     
  5   1  1  A   5  GLY  A   5  .  ?     
  6   1  1  A   6  ASP  A   6  .  ?     
  7   1  1  A   7  CYS  A   7  .  ?     
  8   1  1  A   8  THR  A   8  .  ?     
  9   1  1  A   9  ASP  A   9  .  ?     
 10   1  1  A  10  PHE  A  10  .  ?     
 11   1  1  A  11  LEU  A  11  .  ?     
 12   1  1  A  12  GLY  A  12  .  ?     
 13   1  1  A  13  CYS  A  13  .  ?     
 14   1  1  A  14  GLY  A  14  .  ?     
 15   1  1  A  15  THR  A  15  .  ?     
 16   1  1  A  16  ALA  A  16  .  ?     
 17   1  1  A  17  TRP  A  17  .  ?     
 18   1  1  A  18  ILE  A  18  .  ?     
 19   1  1  A  19  CYS  A  19  .  ?     
 20   1  1  A  20  VAL  A  20  .  ?     
 21   2  1  A   1  CYS  A   1  .  ?     
 22   2  1  A   2  VAL  A   2  .  ?     
 23   2  1  A   3  TRP  A   3  .  ?     
 24   2  1  A   4  GLY  A   4  .  ?     
 25   2  1  A   5  GLY  A   5  .  ?     
 26   2  1  A   6  ASP  A   6  .  ?     
 27   2  1  A   7  CYS  A   7  .  ?     
 28   2  1  A   8  THR  A   8  .  ?     
 29   2  1  A   9  ASP  A   9  .  ?     
 30   2  1  A  10  PHE  A  10  .  ?     
 31   2  1  A  11  LEU  A  11  .  ?     
 32   2  1  A  12  GLY  A  12  .  ?     
 33   2  1  A  13  CYS  A  13  .  ?     
 34   2  1  A  14  GLY  A  14  .  ?     
 35   2  1  A  15  THR  A  15  .  ?     
 36   2  1  A  16  ALA  A  16  .  ?     
 37   2  1  A  17  TRP  A  17  .  ?     
 38   2  1  A  18  ILE  A  18  .  ?     
 39   2  1  A  19  CYS  A  19  .  ?     
 40   2  1  A  20  VAL  A  20  .  ?     
 41   3  1  A   1  CYS  A   1  .  ?     
 42   3  1  A   2  VAL  A   2  .  ?     
 43   3  1  A   3  TRP  A   3  .  ?     
 44   3  1  A   4  GLY  A   4  .  ?     
 45   3  1  A   5  GLY  A   5  .  ?     
 46   3  1  A   6  ASP  A   6  .  ?     
 47   3  1  A   7  CYS  A   7  .  ?     
 48   3  1  A   8  THR  A   8  .  ?     
 49   3  1  A   9  ASP  A   9  .  ?     
 50   3  1  A  10  PHE  A  10  .  ?     
 51   3  1  A  11  LEU  A  11  .  ?     
 52   3  1  A  12  GLY  A  12  .  ?     
 53   3  1  A  13  CYS  A  13  .  ?     
 54   3  1  A  14  GLY  A  14  .  ?     
 55   3  1  A  15  THR  A  15  .  ?     
 56   3  1  A  16  ALA  A  16  .  ?     
 57   3  1  A  17  TRP  A  17  .  ?     
 58   3  1  A  18  ILE  A  18  .  ?     
 59   3  1  A  19  CYS  A  19  .  ?     
 60   3  1  A  20  VAL  A  20  .  ?     
 61   4  1  A   1  CYS  A   1  .  ?     
 62   4  1  A   2  VAL  A   2  .  ?     
 63   4  1  A   3  TRP  A   3  .  ?     
 64   4  1  A   4  GLY  A   4  .  ?     
 65   4  1  A   5  GLY  A   5  .  ?     
 66   4  1  A   6  ASP  A   6  .  ?     
 67   4  1  A   7  CYS  A   7  .  ?     
 68   4  1  A   8  THR  A   8  .  ?     
 69   4  1  A   9  ASP  A   9  .  ?     
 70   4  1  A  10  PHE  A  10  .  ?     
 71   4  1  A  11  LEU  A  11  .  ?     
 72   4  1  A  12  GLY  A  12  .  ?     
 73   4  1  A  13  CYS  A  13  .  ?     
 74   4  1  A  14  GLY  A  14  .  ?     
 75   4  1  A  15  THR  A  15  .  ?     
 76   4  1  A  16  ALA  A  16  .  ?     
 77   4  1  A  17  TRP  A  17  .  ?     
 78   4  1  A  18  ILE  A  18  .  ?     
 79   4  1  A  19  CYS  A  19  .  ?     
 80   4  1  A  20  VAL  A  20  .  ?     
 81   5  1  A   1  CYS  A   1  .  ?     
 82   5  1  A   2  VAL  A   2  .  ?     
 83   5  1  A   3  TRP  A   3  .  ?     
 84   5  1  A   4  GLY  A   4  .  ?     
 85   5  1  A   5  GLY  A   5  .  ?     
 86   5  1  A   6  ASP  A   6  .  ?     
 87   5  1  A   7  CYS  A   7  .  ?     
 88   5  1  A   8  THR  A   8  .  ?     
 89   5  1  A   9  ASP  A   9  .  ?     
 90   5  1  A  10  PHE  A  10  .  ?     
 91   5  1  A  11  LEU  A  11  .  ?     
 92   5  1  A  12  GLY  A  12  .  ?     
 93   5  1  A  13  CYS  A  13  .  ?     
 94   5  1  A  14  GLY  A  14  .  ?     
 95   5  1  A  15  THR  A  15  .  ?     
 96   5  1  A  16  ALA  A  16  .  ?     
 97   5  1  A  17  TRP  A  17  .  ?     
 98   5  1  A  18  ILE  A  18  .  ?     
 99   5  1  A  19  CYS  A  19  .  ?     
100   5  1  A  20  VAL  A  20  .  ?     
101   6  1  A   1  CYS  A   1  .  ?     
102   6  1  A   2  VAL  A   2  .  ?     
103   6  1  A   3  TRP  A   3  .  ?     
104   6  1  A   4  GLY  A   4  .  ?     
105   6  1  A   5  GLY  A   5  .  ?     
106   6  1  A   6  ASP  A   6  .  ?     
107   6  1  A   7  CYS  A   7  .  ?     
108   6  1  A   8  THR  A   8  .  ?     
109   6  1  A   9  ASP  A   9  .  ?     
110   6  1  A  10  PHE  A  10  .  ?     
111   6  1  A  11  LEU  A  11  .  ?     
112   6  1  A  12  GLY  A  12  .  ?     
113   6  1  A  13  CYS  A  13  .  ?     
114   6  1  A  14  GLY  A  14  .  ?     
115   6  1  A  15  THR  A  15  .  ?     
116   6  1  A  16  ALA  A  16  .  ?     
117   6  1  A  17  TRP  A  17  .  ?     
118   6  1  A  18  ILE  A  18  .  ?     
119   6  1  A  19  CYS  A  19  .  ?     
120   6  1  A  20  VAL  A  20  .  ?     
121   7  1  A   1  CYS  A   1  .  ?     
122   7  1  A   2  VAL  A   2  .  ?     
123   7  1  A   3  TRP  A   3  .  ?     
124   7  1  A   4  GLY  A   4  .  ?     
125   7  1  A   5  GLY  A   5  .  ?     
126   7  1  A   6  ASP  A   6  .  ?     
127   7  1  A   7  CYS  A   7  .  ?     
128   7  1  A   8  THR  A   8  .  ?     
129   7  1  A   9  ASP  A   9  .  ?     
130   7  1  A  10  PHE  A  10  .  ?     
131   7  1  A  11  LEU  A  11  .  ?     
132   7  1  A  12  GLY  A  12  .  ?     
133   7  1  A  13  CYS  A  13  .  ?     
134   7  1  A  14  GLY  A  14  .  ?     
135   7  1  A  15  THR  A  15  .  ?     
136   7  1  A  16  ALA  A  16  .  ?     
137   7  1  A  17  TRP  A  17  .  ?     
138   7  1  A  18  ILE  A  18  .  ?     
139   7  1  A  19  CYS  A  19  .  ?     
140   7  1  A  20  VAL  A  20  .  ?     
141   8  1  A   1  CYS  A   1  .  ?     
142   8  1  A   2  VAL  A   2  .  ?     
143   8  1  A   3  TRP  A   3  .  ?     
144   8  1  A   4  GLY  A   4  .  ?     
145   8  1  A   5  GLY  A   5  .  ?     
146   8  1  A   6  ASP  A   6  .  ?     
147   8  1  A   7  CYS  A   7  .  ?     
148   8  1  A   8  THR  A   8  .  ?     
149   8  1  A   9  ASP  A   9  .  ?     
150   8  1  A  10  PHE  A  10  .  ?     
151   8  1  A  11  LEU  A  11  .  ?     
152   8  1  A  12  GLY  A  12  .  ?     
153   8  1  A  13  CYS  A  13  .  ?     
154   8  1  A  14  GLY  A  14  .  ?     
155   8  1  A  15  THR  A  15  .  ?     
156   8  1  A  16  ALA  A  16  .  ?     
157   8  1  A  17  TRP  A  17  .  ?     
158   8  1  A  18  ILE  A  18  .  ?     
159   8  1  A  19  CYS  A  19  .  ?     
160   8  1  A  20  VAL  A  20  .  ?     
161   9  1  A   1  CYS  A   1  .  ?     
162   9  1  A   2  VAL  A   2  .  ?     
163   9  1  A   3  TRP  A   3  .  ?     
164   9  1  A   4  GLY  A   4  .  ?     
165   9  1  A   5  GLY  A   5  .  ?     
166   9  1  A   6  ASP  A   6  .  ?     
167   9  1  A   7  CYS  A   7  .  ?     
168   9  1  A   8  THR  A   8  .  ?     
169   9  1  A   9  ASP  A   9  .  ?     
170   9  1  A  10  PHE  A  10  .  ?     
171   9  1  A  11  LEU  A  11  .  ?     
172   9  1  A  12  GLY  A  12  .  ?     
173   9  1  A  13  CYS  A  13  .  ?     
174   9  1  A  14  GLY  A  14  .  ?     
175   9  1  A  15  THR  A  15  .  ?     
176   9  1  A  16  ALA  A  16  .  ?     
177   9  1  A  17  TRP  A  17  .  ?     
178   9  1  A  18  ILE  A  18  .  ?     
179   9  1  A  19  CYS  A  19  .  ?     
180   9  1  A  20  VAL  A  20  .  ?     
181  10  1  A   1  CYS  A   1  .  ?     
182  10  1  A   2  VAL  A   2  .  ?     
183  10  1  A   3  TRP  A   3  .  ?     
184  10  1  A   4  GLY  A   4  .  ?     
185  10  1  A   5  GLY  A   5  .  ?     
186  10  1  A   6  ASP  A   6  .  ?     
187  10  1  A   7  CYS  A   7  .  ?     
188  10  1  A   8  THR  A   8  .  ?     
189  10  1  A   9  ASP  A   9  .  ?     
190  10  1  A  10  PHE  A  10  .  ?     
191  10  1  A  11  LEU  A  11  .  ?     
192  10  1  A  12  GLY  A  12  .  ?     
193  10  1  A  13  CYS  A  13  .  ?     
194  10  1  A  14  GLY  A  14  .  ?     
195  10  1  A  15  THR  A  15  .  ?     
196  10  1  A  16  ALA  A  16  .  ?     
197  10  1  A  17  TRP  A  17  .  ?     
198  10  1  A  18  ILE  A  18  .  ?     
199  10  1  A  19  CYS  A  19  .  ?     
200  10  1  A  20  VAL  A  20  .  ?     
201  11  1  A   1  CYS  A   1  .  ?     
202  11  1  A   2  VAL  A   2  .  ?     
203  11  1  A   3  TRP  A   3  .  ?     
204  11  1  A   4  GLY  A   4  .  ?     
205  11  1  A   5  GLY  A   5  .  ?     
206  11  1  A   6  ASP  A   6  .  ?     
207  11  1  A   7  CYS  A   7  .  ?     
208  11  1  A   8  THR  A   8  .  ?     
209  11  1  A   9  ASP  A   9  .  ?     
210  11  1  A  10  PHE  A  10  .  ?     
211  11  1  A  11  LEU  A  11  .  ?     
212  11  1  A  12  GLY  A  12  .  ?     
213  11  1  A  13  CYS  A  13  .  ?     
214  11  1  A  14  GLY  A  14  .  ?     
215  11  1  A  15  THR  A  15  .  ?     
216  11  1  A  16  ALA  A  16  .  ?     
217  11  1  A  17  TRP  A  17  .  ?     
218  11  1  A  18  ILE  A  18  .  ?     
219  11  1  A  19  CYS  A  19  .  ?     
220  11  1  A  20  VAL  A  20  .  ?     
221  12  1  A   1  CYS  A   1  .  ?     
222  12  1  A   2  VAL  A   2  .  ?     
223  12  1  A   3  TRP  A   3  .  ?     
224  12  1  A   4  GLY  A   4  .  ?     
225  12  1  A   5  GLY  A   5  .  ?     
226  12  1  A   6  ASP  A   6  .  ?     
227  12  1  A   7  CYS  A   7  .  ?     
228  12  1  A   8  THR  A   8  .  ?     
229  12  1  A   9  ASP  A   9  .  ?     
230  12  1  A  10  PHE  A  10  .  ?     
231  12  1  A  11  LEU  A  11  .  ?     
232  12  1  A  12  GLY  A  12  .  ?     
233  12  1  A  13  CYS  A  13  .  ?     
234  12  1  A  14  GLY  A  14  .  ?     
235  12  1  A  15  THR  A  15  .  ?     
236  12  1  A  16  ALA  A  16  .  ?     
237  12  1  A  17  TRP  A  17  .  ?     
238  12  1  A  18  ILE  A  18  .  ?     
239  12  1  A  19  CYS  A  19  .  ?     
240  12  1  A  20  VAL  A  20  .  ?     
241  13  1  A   1  CYS  A   1  .  ?     
242  13  1  A   2  VAL  A   2  .  ?     
243  13  1  A   3  TRP  A   3  .  ?     
244  13  1  A   4  GLY  A   4  .  ?     
245  13  1  A   5  GLY  A   5  .  ?     
246  13  1  A   6  ASP  A   6  .  ?     
247  13  1  A   7  CYS  A   7  .  ?     
248  13  1  A   8  THR  A   8  .  ?     
249  13  1  A   9  ASP  A   9  .  ?     
250  13  1  A  10  PHE  A  10  .  ?     
251  13  1  A  11  LEU  A  11  .  ?     
252  13  1  A  12  GLY  A  12  .  ?     
253  13  1  A  13  CYS  A  13  .  ?     
254  13  1  A  14  GLY  A  14  .  ?     
255  13  1  A  15  THR  A  15  .  ?     
256  13  1  A  16  ALA  A  16  .  ?     
257  13  1  A  17  TRP  A  17  .  ?     
258  13  1  A  18  ILE  A  18  .  ?     
259  13  1  A  19  CYS  A  19  .  ?     
260  13  1  A  20  VAL  A  20  .  ?     
261  14  1  A   1  CYS  A   1  .  ?     
262  14  1  A   2  VAL  A   2  .  ?     
263  14  1  A   3  TRP  A   3  .  ?     
264  14  1  A   4  GLY  A   4  .  ?     
265  14  1  A   5  GLY  A   5  .  ?     
266  14  1  A   6  ASP  A   6  .  ?     
267  14  1  A   7  CYS  A   7  .  ?     
268  14  1  A   8  THR  A   8  .  ?     
269  14  1  A   9  ASP  A   9  .  ?     
270  14  1  A  10  PHE  A  10  .  ?     
271  14  1  A  11  LEU  A  11  .  ?     
272  14  1  A  12  GLY  A  12  .  ?     
273  14  1  A  13  CYS  A  13  .  ?     
274  14  1  A  14  GLY  A  14  .  ?     
275  14  1  A  15  THR  A  15  .  ?     
276  14  1  A  16  ALA  A  16  .  ?     
277  14  1  A  17  TRP  A  17  .  ?     
278  14  1  A  18  ILE  A  18  .  ?     
279  14  1  A  19  CYS  A  19  .  ?     
280  14  1  A  20  VAL  A  20  .  ?     
281  15  1  A   1  CYS  A   1  .  ?     
282  15  1  A   2  VAL  A   2  .  ?     
283  15  1  A   3  TRP  A   3  .  ?     
284  15  1  A   4  GLY  A   4  .  ?     
285  15  1  A   5  GLY  A   5  .  ?     
286  15  1  A   6  ASP  A   6  .  ?     
287  15  1  A   7  CYS  A   7  .  ?     
288  15  1  A   8  THR  A   8  .  ?     
289  15  1  A   9  ASP  A   9  .  ?     
290  15  1  A  10  PHE  A  10  .  ?     
291  15  1  A  11  LEU  A  11  .  ?     
292  15  1  A  12  GLY  A  12  .  ?     
293  15  1  A  13  CYS  A  13  .  ?     
294  15  1  A  14  GLY  A  14  .  ?     
295  15  1  A  15  THR  A  15  .  ?     
296  15  1  A  16  ALA  A  16  .  ?     
297  15  1  A  17  TRP  A  17  .  ?     
298  15  1  A  18  ILE  A  18  .  ?     
299  15  1  A  19  CYS  A  19  .  ?     
300  15  1  A  20  VAL  A  20  .  ?     
301  16  1  A   1  CYS  A   1  .  ?     
302  16  1  A   2  VAL  A   2  .  ?     
303  16  1  A   3  TRP  A   3  .  ?     
304  16  1  A   4  GLY  A   4  .  ?     
305  16  1  A   5  GLY  A   5  .  ?     
306  16  1  A   6  ASP  A   6  .  ?     
307  16  1  A   7  CYS  A   7  .  ?     
308  16  1  A   8  THR  A   8  .  ?     
309  16  1  A   9  ASP  A   9  .  ?     
310  16  1  A  10  PHE  A  10  .  ?     
311  16  1  A  11  LEU  A  11  .  ?     
312  16  1  A  12  GLY  A  12  .  ?     
313  16  1  A  13  CYS  A  13  .  ?     
314  16  1  A  14  GLY  A  14  .  ?     
315  16  1  A  15  THR  A  15  .  ?     
316  16  1  A  16  ALA  A  16  .  ?     
317  16  1  A  17  TRP  A  17  .  ?     
318  16  1  A  18  ILE  A  18  .  ?     
319  16  1  A  19  CYS  A  19  .  ?     
320  16  1  A  20  VAL  A  20  .  ?     
321  17  1  A   1  CYS  A   1  .  ?     
322  17  1  A   2  VAL  A   2  .  ?     
323  17  1  A   3  TRP  A   3  .  ?     
324  17  1  A   4  GLY  A   4  .  ?     
325  17  1  A   5  GLY  A   5  .  ?     
326  17  1  A   6  ASP  A   6  .  ?     
327  17  1  A   7  CYS  A   7  .  ?     
328  17  1  A   8  THR  A   8  .  ?     
329  17  1  A   9  ASP  A   9  .  ?     
330  17  1  A  10  PHE  A  10  .  ?     
331  17  1  A  11  LEU  A  11  .  ?     
332  17  1  A  12  GLY  A  12  .  ?     
333  17  1  A  13  CYS  A  13  .  ?     
334  17  1  A  14  GLY  A  14  .  ?     
335  17  1  A  15  THR  A  15  .  ?     
336  17  1  A  16  ALA  A  16  .  ?     
337  17  1  A  17  TRP  A  17  .  ?     
338  17  1  A  18  ILE  A  18  .  ?     
339  17  1  A  19  CYS  A  19  .  ?     
340  17  1  A  20  VAL  A  20  .  ?     
341  18  1  A   1  CYS  A   1  .  ?     
342  18  1  A   2  VAL  A   2  .  ?     
343  18  1  A   3  TRP  A   3  .  ?     
344  18  1  A   4  GLY  A   4  .  ?     
345  18  1  A   5  GLY  A   5  .  ?     
346  18  1  A   6  ASP  A   6  .  ?     
347  18  1  A   7  CYS  A   7  .  ?     
348  18  1  A   8  THR  A   8  .  ?     
349  18  1  A   9  ASP  A   9  .  ?     
350  18  1  A  10  PHE  A  10  .  ?     
351  18  1  A  11  LEU  A  11  .  ?     
352  18  1  A  12  GLY  A  12  .  ?     
353  18  1  A  13  CYS  A  13  .  ?     
354  18  1  A  14  GLY  A  14  .  ?     
355  18  1  A  15  THR  A  15  .  ?     
356  18  1  A  16  ALA  A  16  .  ?     
357  18  1  A  17  TRP  A  17  .  ?     
358  18  1  A  18  ILE  A  18  .  ?     
359  18  1  A  19  CYS  A  19  .  ?     
360  18  1  A  20  VAL  A  20  .  ?     
361  19  1  A   1  CYS  A   1  .  ?     
362  19  1  A   2  VAL  A   2  .  ?     
363  19  1  A   3  TRP  A   3  .  ?     
364  19  1  A   4  GLY  A   4  .  ?     
365  19  1  A   5  GLY  A   5  .  ?     
366  19  1  A   6  ASP  A   6  .  ?     
367  19  1  A   7  CYS  A   7  .  ?     
368  19  1  A   8  THR  A   8  .  ?     
369  19  1  A   9  ASP  A   9  .  ?     
370  19  1  A  10  PHE  A  10  .  ?     
371  19  1  A  11  LEU  A  11  .  ?     
372  19  1  A  12  GLY  A  12  .  ?     
373  19  1  A  13  CYS  A  13  .  ?     
374  19  1  A  14  GLY  A  14  .  ?     
375  19  1  A  15  THR  A  15  .  ?     
376  19  1  A  16  ALA  A  16  .  ?     
377  19  1  A  17  TRP  A  17  .  ?     
378  19  1  A  18  ILE  A  18  .  ?     
379  19  1  A  19  CYS  A  19  .  ?     
380  19  1  A  20  VAL  A  20  .  ?     
381  20  1  A   1  CYS  A   1  .  ?     
382  20  1  A   2  VAL  A   2  .  ?     
383  20  1  A   3  TRP  A   3  .  ?     
384  20  1  A   4  GLY  A   4  .  ?     
385  20  1  A   5  GLY  A   5  .  ?     
386  20  1  A   6  ASP  A   6  .  ?     
387  20  1  A   7  CYS  A   7  .  ?     
388  20  1  A   8  THR  A   8  .  ?     
389  20  1  A   9  ASP  A   9  .  ?     
390  20  1  A  10  PHE  A  10  .  ?     
391  20  1  A  11  LEU  A  11  .  ?     
392  20  1  A  12  GLY  A  12  .  ?     
393  20  1  A  13  CYS  A  13  .  ?     
394  20  1  A  14  GLY  A  14  .  ?     
395  20  1  A  15  THR  A  15  .  ?     
396  20  1  A  16  ALA  A  16  .  ?     
397  20  1  A  17  TRP  A  17  .  ?     
398  20  1  A  18  ILE  A  18  .  ?     
399  20  1  A  19  CYS  A  19  .  ?     
400  20  1  A  20  VAL  A  20  .  ?     
#
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  m           ?       ?  ?         4   6  0.67   8  0.99  molprobity     1  True   
  2    2  m      -132.9  -168.5  Allowed   9   7  0.69  10  1.15  molprobity     1  True   
  3    3  t-105  -139.2   143.6  Favored  10  16  0.89  23  1.03  molprobity     1  True   
  4    4  ?        83.4    58.7  Favored   3   4  1.07   5  0.77  molprobity     1  True   
  5    5  ?      -138.8   172.8  Favored   3   4  1.06   5  1.07  molprobity     1  True   
  6    6  m-20    -90.6   -40.1  Favored   4   8  0.68  11  0.77  molprobity     1  True   
  7    7  p      -114.3  -144.6  Allowed   4   6  0.65   8  1.03  molprobity     1  True   
  8    8  m      -140.9   144.4  Favored   7   7  0.68  10  0.79  molprobity     1  True   
  9    9  p30     -87.8   -98.5  Allowed   4   7  0.91   9  2.42  molprobity     1  True   
 10   10  m-85    -93.0   148.0  Favored   9  12  1.09  16  0.85  molprobity     1  True   
 11   11  tp      -85.4   124.8  Favored  11   8  0.90  11  0.62  molprobity     1  True   
 12   12  ?       107.5   -23.3  Favored   3   4  0.78   5  0.82  molprobity     1  True   
 13   13  t       -84.8   -67.0  Allowed   4   6  0.76   8  0.51  molprobity     1  True   
 14   14  ?      -176.5  -164.1  Favored   3   4  1.04   5  1.23  molprobity     1  True   
 15   15  p       -88.6  -176.4  Favored   7   7  0.93  10  0.96  molprobity     1  True   
 16   16  ?      -142.8   162.8  Favored   5   5  0.88   7  1.54  molprobity     1  True   
 17   17  m0      -91.7   -74.4  Allowed  10  16  0.81  23  0.88  molprobity     ?  False  
 18   18  mp      -94.4   128.1  Favored  11   8  0.61  11  0.87  molprobity     ?  False  
 19   19  m      -127.3   163.7  Favored   4   6  0.68   8  1.16  molprobity     ?  False  
 20   20  p           ?       ?  ?         9   7  1.15   7  0.80  molprobity     ?  False  
 21   21  t           ?       ?  ?         4   6  0.72   8  0.78  molprobity     1  True   
 22   22  m      -127.1  -174.1  Allowed   9   7  0.75  10  1.01  molprobity     1  True   
 23   23  t90    -119.5   139.5  Favored  10  16  0.89  23  0.99  molprobity     1  True   
 24   24  ?        79.8    59.1  Favored   3   4  1.07   5  0.58  molprobity     1  True   
 25   25  ?      -134.5   171.6  Favored   3   4  1.00   5  1.13  molprobity     1  True   
 26   26  t70     -92.8   -43.5  Favored   4   8  0.73  11  0.35  molprobity     1  True   
 27   27  p      -106.9  -137.8  Allowed   4   6  0.65   8  0.95  molprobity     1  True   
 28   28  m      -144.5   142.7  Favored   7   7  0.67  10  0.84  molprobity     1  True   
 29   29  p30     -89.2   -98.7  Allowed   4   7  0.86   9  2.20  molprobity     1  True   
 30   30  m-85    -87.5   144.8  Favored   9  12  1.06  16  0.86  molprobity     1  True   
 31   31  tp      -83.5   124.1  Favored  11   8  0.90  11  0.59  molprobity     1  True   
 32   32  ?       110.7   -28.7  Favored   3   4  0.82   5  0.76  molprobity     1  True   
 33   33  t       -84.3   -65.7  Allowed   4   6  0.86   8  0.69  molprobity     1  True   
 34   34  ?      -172.7  -163.3  Favored   3   4  0.87   5  1.10  molprobity     1  True   
 35   35  p       -90.4  -175.3  Favored   7   7  0.87  10  0.97  molprobity     1  True   
 36   36  ?      -143.2   153.4  Favored   5   5  0.85   7  1.45  molprobity     1  True   
 37   37  m0      -89.7   -48.9  Favored  10  16  0.81  23  0.93  molprobity     ?  False  
 38   38  mm      -82.5   118.4  Favored  11   8  0.66  11  0.77  molprobity     ?  False  
 39   39  m      -124.0   166.2  Favored   4   6  0.71   8  0.87  molprobity     ?  False  
 40   40  t           ?       ?  ?         9   7  1.10   7  1.02  molprobity     ?  False  
 41   41  m           ?       ?  ?         4   6  0.62   8  1.04  molprobity     1  True   
 42   42  m      -133.0  -170.6  Allowed   9   7  0.69  10  1.14  molprobity     1  True   
 43   43  t-105  -138.0   147.5  Favored  10  16  0.87  23  1.01  molprobity     1  True   
 44   44  ?        85.2    47.9  Favored   3   4  1.03   5  0.77  molprobity     1  True   
 45   45  ?      -127.8   171.6  Favored   3   4  0.98   5  1.03  molprobity     1  True   
 46   46  m-20    -93.3   -39.5  Favored   4   8  0.70  11  0.78  molprobity     1  True   
 47   47  p      -113.5  -145.2  Allowed   4   6  0.68   8  1.02  molprobity     1  True   
 48   48  m      -139.3   144.8  Favored   7   7  0.70  10  0.80  molprobity     1  True   
 49   49  p30     -88.5  -100.7  Allowed   4   7  0.95   9  2.41  molprobity     1  True   
 50   50  m-85    -92.0   158.7  Favored   9  12  1.09  16  0.74  molprobity     1  True   
 51   51  mt      -82.5   123.3  Favored  11   8  0.89  11  0.73  molprobity     1  True   
 52   52  ?        91.7    -6.6  Favored   3   4  0.66   5  0.54  molprobity     1  True   
 53   53  t       -89.7   -69.8  Allowed   4   6  0.77   8  0.56  molprobity     1  True   
 54   54  ?      -173.7  -164.6  Favored   3   4  1.10   5  1.25  molprobity     1  True   
 55   55  p       -88.5   179.4  Favored   7   7  0.92  10  0.99  molprobity     1  True   
 56   56  ?      -136.6   161.9  Favored   5   5  0.91   7  1.55  molprobity     1  True   
 57   57  m0      -86.8   -73.3  Allowed  10  16  0.83  23  0.89  molprobity     ?  False  
 58   58  pt      -97.5   148.9  Favored  11   8  0.67  11  0.96  molprobity     ?  False  
 59   59  m      -141.5   163.6  Favored   4   6  0.74   8  1.19  molprobity     ?  False  
 60   60  p           ?       ?  ?         9   7  1.12   7  0.90  molprobity     ?  False  
 61   61  m           ?       ?  ?         4   6  0.65   8  0.99  molprobity     1  True   
 62   62  m      -133.4  -167.2  Allowed   9   7  0.66  10  1.09  molprobity     1  True   
 63   63  t-105  -140.3   143.7  Favored  10  16  0.86  23  1.02  molprobity     1  True   
 64   64  ?        85.5    55.4  Favored   3   4  1.01   5  0.75  molprobity     1  True   
 65   65  ?      -138.7   168.3  Favored   3   4  0.99   5  1.11  molprobity     1  True   
 66   66  p-10    -91.3   -34.8  Favored   4   8  0.80  11  0.54  molprobity     1  True   
 67   67  p      -111.1  -153.9  Allowed   4   6  0.66   8  1.09  molprobity     1  True   
 68   68  m      -139.6   144.5  Favored   7   7  0.66  10  0.78  molprobity     1  True   
 69   69  p30     -88.1   -98.4  Allowed   4   7  0.90   9  2.40  molprobity     1  True   
 70   70  m-85    -93.0   147.8  Favored   9  12  1.06  16  0.86  molprobity     1  True   
 71   71  tp      -85.2   124.6  Favored  11   8  0.90  11  0.62  molprobity     1  True   
 72   72  ?       107.7   -23.6  Favored   3   4  0.77   5  0.82  molprobity     1  True   
 73   73  t       -84.6   -67.0  Allowed   4   6  0.80   8  0.51  molprobity     1  True   
 74   74  ?      -176.0  -164.1  Favored   3   4  1.07   5  1.23  molprobity     1  True   
 75   75  p       -89.0  -173.1  Favored   7   7  0.91  10  0.99  molprobity     1  True   
 76   76  ?      -139.4   159.2  Favored   5   5  0.89   7  1.49  molprobity     1  True   
 77   77  m0     -104.0   -66.5  Allowed  10  16  0.81  23  1.03  molprobity     ?  False  
 78   78  mt      -89.5   125.2  Favored  11   8  0.64  11  0.85  molprobity     ?  False  
 79   79  p      -150.2   -49.9  Allowed   4   6  0.78   8  0.87  molprobity     ?  False  
 80   80  m           ?       ?  ?         9   7  1.14   7  0.91  molprobity     ?  False  
 81   81  t           ?       ?  ?         4   6  0.69   8  0.84  molprobity     1  True   
 82   82  m      -124.9  -165.2  Allowed   9   7  0.74  10  1.20  molprobity     1  True   
 83   83  t-105  -138.7   143.9  Favored  10  16  0.89  23  1.02  molprobity     1  True   
 84   84  ?        83.2    55.9  Favored   3   4  1.06   5  0.79  molprobity     1  True   
 85   85  ?      -134.5   170.6  Favored   3   4  1.02   5  1.08  molprobity     1  True   
 86   86  m-20    -91.3   -39.5  Favored   4   8  0.68  11  0.78  molprobity     1  True   
 87   87  p      -114.6  -145.5  Allowed   4   6  0.73   8  1.02  molprobity     1  True   
 88   88  m      -141.3   143.6  Favored   7   7  0.66  10  0.79  molprobity     1  True   
 89   89  p30     -88.8  -100.2  Allowed   4   7  0.87   9  2.18  molprobity     1  True   
 90   90  m-85    -88.2   155.8  Favored   9  12  1.07  16  0.80  molprobity     1  True   
 91   91  mt      -81.8   123.7  Favored  11   8  0.91  11  0.73  molprobity     1  True   
 92   92  ?        96.9   -17.8  Favored   3   4  0.74   5  0.47  molprobity     1  True   
 93   93  t       -84.7   -65.4  Allowed   4   6  0.83   8  0.66  molprobity     1  True   
 94   94  ?      -172.2  -164.1  Favored   3   4  0.97   5  1.14  molprobity     1  True   
 95   95  p       -89.8  -177.8  Favored   7   7  0.90  10  0.98  molprobity     1  True   
 96   96  ?      -142.6   162.5  Favored   5   5  0.91   7  1.48  molprobity     1  True   
 97   97  m0      -90.0   -75.8  Allowed  10  16  0.81  23  0.86  molprobity     ?  False  
 98   98  mp      -94.5   128.4  Favored  11   8  0.64  11  0.86  molprobity     ?  False  
 99   99  m      -126.3   163.3  Favored   4   6  0.66   8  1.17  molprobity     ?  False  
100  100  m           ?       ?  ?         9   7  1.13   7  0.98  molprobity     ?  False  
101  101  m           ?       ?  ?         4   6  0.69   8  1.03  molprobity     1  True   
102  102  m      -133.7  -172.7  Allowed   9   7  0.67  10  0.99  molprobity     1  True   
103  103  t90    -126.0   141.8  Favored  10  16  0.89  23  0.97  molprobity     1  True   
104  104  ?        77.5    60.9  Favored   3   4  1.04   5  0.57  molprobity     1  True   
105  105  ?      -136.4   173.4  Favored   3   4  1.05   5  1.09  molprobity     1  True   
106  106  m-20    -88.1   -42.1  Favored   4   8  0.72  11  0.73  molprobity     1  True   
107  107  m      -117.6  -133.4  Allowed   4   6  0.64   8  0.86  molprobity     1  True   
108  108  m      -145.4   144.7  Favored   7   7  0.69  10  0.88  molprobity     1  True   
109  109  p30     -88.7   -98.2  Allowed   4   7  0.90   9  2.37  molprobity     1  True   
110  110  m-85    -90.8   149.4  Favored   9  12  1.09  16  0.84  molprobity     1  True   
111  111  tp      -84.5   125.3  Favored  11   8  0.91  11  0.60  molprobity     1  True   
112  112  ?       103.5   -19.6  Favored   3   4  0.77   5  0.75  molprobity     1  True   
113  113  t       -86.5   -68.2  Allowed   4   6  0.80   8  0.52  molprobity     1  True   
114  114  ?      -173.4  -165.1  Favored   3   4  0.97   5  1.19  molprobity     1  True   
115  115  p       -89.0  -173.3  Favored   7   7  0.88  10  0.98  molprobity     1  True   
116  116  ?      -148.6   150.8  Favored   5   5  0.88   7  1.55  molprobity     1  True   
117  117  m0      -87.4   -55.8  Favored  10  16  0.82  23  0.93  molprobity     ?  False  
118  118  mt      -85.5   126.8  Favored  11   8  0.65  11  0.92  molprobity     ?  False  
119  119  m       -86.5   151.9  Favored   4   6  0.66   8  0.95  molprobity     ?  False  
120  120  m           ?       ?  ?         9   7  1.14   7  0.90  molprobity     ?  False  
121  121  t           ?       ?  ?         4   6  0.65   8  0.89  molprobity     1  True   
122  122  m      -125.1  -167.1  Allowed   9   7  0.78  10  1.26  molprobity     1  True   
123  123  t-105  -137.7   147.6  Favored  10  16  0.86  23  1.03  molprobity     1  True   
124  124  ?        85.6    48.0  Favored   3   4  1.10   5  0.82  molprobity     1  True   
125  125  ?      -128.4   166.9  Favored   3   4  0.97   5  1.09  molprobity     1  True   
126  126  t70     -91.9   -39.5  Favored   4   8  0.74  11  0.38  molprobity     1  True   
127  127  p      -109.4  -145.5  Allowed   4   6  0.68   8  1.02  molprobity     1  True   
128  128  m      -141.2   142.9  Favored   7   7  0.66  10  0.77  molprobity     1  True   
129  129  p30     -88.2   -99.0  Allowed   4   7  0.88   9  2.18  molprobity     1  True   
130  130  m-85    -89.8   149.1  Favored   9  12  1.08  16  0.84  molprobity     1  True   
131  131  mp      -84.3   125.7  Favored  11   8  0.92  11  1.05  molprobity     1  True   
132  132  ?       106.6   -28.4  Favored   3   4  0.85   5  0.66  molprobity     1  True   
133  133  t       -83.3   -65.0  Allowed   4   6  0.86   8  0.64  molprobity     1  True   
134  134  ?      -173.1  -164.6  Favored   3   4  0.97   5  1.15  molprobity     1  True   
135  135  p       -91.1   179.7  Favored   7   7  0.88  10  1.00  molprobity     1  True   
136  136  ?      -139.8   162.9  Favored   5   5  0.91   7  1.43  molprobity     1  True   
137  137  m0      -88.8   -75.1  Allowed  10  16  0.82  23  0.85  molprobity     ?  False  
138  138  mt      -96.6   125.5  Favored  11   8  0.67  11  0.80  molprobity     ?  False  
139  139  m      -123.5   -52.0  Allowed   4   6  0.72   8  1.21  molprobity     ?  False  
140  140  t           ?       ?  ?         9   7  1.12   7  1.07  molprobity     ?  False  
141  141  m           ?       ?  ?         4   6  0.70   8  1.02  molprobity     1  True   
142  142  m      -132.6  -168.1  Allowed   9   7  0.70  10  1.05  molprobity     1  True   
143  143  t-105  -139.8   143.8  Favored  10  16  0.90  23  1.02  molprobity     1  True   
144  144  ?        84.1    54.4  Favored   3   4  1.06   5  0.79  molprobity     1  True   
145  145  ?      -136.4   173.0  Favored   3   4  1.01   5  1.09  molprobity     1  True   
146  146  m-20    -93.5   -41.0  Favored   4   8  0.69  11  0.75  molprobity     1  True   
147  147  p      -110.9  -140.1  Allowed   4   6  0.68   8  0.99  molprobity     1  True   
148  148  m      -141.8   145.5  Favored   7   7  0.66  10  0.83  molprobity     1  True   
149  149  p30     -88.7   -99.6  Allowed   4   7  0.90   9  2.34  molprobity     1  True   
150  150  m-85    -88.4   148.8  Favored   9  12  1.09  16  0.81  molprobity     1  True   
151  151  tt      -83.8   117.9  Favored  11   8  0.93  11  0.83  molprobity     1  True   
152  152  ?        90.6    38.6  Favored   3   4  0.82   5  0.81  molprobity     1  True   
153  153  t      -138.5   -68.4  Allowed   4   6  0.84   8  0.94  molprobity     1  True   
154  154  ?      -173.5  -165.7  Favored   3   4  1.00   5  1.21  molprobity     1  True   
155  155  p       -88.8  -172.3  Favored   7   7  0.91  10  0.95  molprobity     1  True   
156  156  ?      -143.8   150.5  Favored   5   5  0.87   7  1.52  molprobity     1  True   
157  157  m0      -89.2   -50.3  Favored  10  16  0.81  23  0.93  molprobity     ?  False  
158  158  mt      -82.3   119.4  Favored  11   8  0.66  11  0.85  molprobity     ?  False  
159  159  m      -124.2   -49.9  Allowed   4   6  0.72   8  0.98  molprobity     ?  False  
160  160  p           ?       ?  ?         9   7  1.12   7  0.92  molprobity     ?  False  
161  161  m           ?       ?  ?         4   6  0.65   8  1.03  molprobity     1  True   
162  162  m      -133.7  -168.8  Allowed   9   7  0.70  10  1.15  molprobity     1  True   
163  163  t-105  -139.3   145.3  Favored  10  16  0.89  23  1.01  molprobity     1  True   
164  164  ?        84.1    53.6  Favored   3   4  1.04   5  0.77  molprobity     1  True   
165  165  ?      -133.7   172.6  Favored   3   4  1.01   5  1.03  molprobity     1  True   
166  166  m-20    -91.5   -40.0  Favored   4   8  0.70  11  0.78  molprobity     1  True   
167  167  p      -114.2  -144.8  Allowed   4   6  0.68   8  1.02  molprobity     1  True   
168  168  m      -139.8   144.7  Favored   7   7  0.70  10  0.79  molprobity     1  True   
169  169  p30     -88.0   -98.8  Allowed   4   7  0.91   9  2.42  molprobity     1  True   
170  170  m-85    -92.9   148.1  Favored   9  12  1.06  16  0.84  molprobity     1  True   
171  171  tp      -85.4   124.7  Favored  11   8  0.92  11  0.62  molprobity     1  True   
172  172  ?       107.0   -22.7  Favored   3   4  0.74   5  0.82  molprobity     1  True   
173  173  t       -84.8   -67.1  Allowed   4   6  0.77   8  0.50  molprobity     1  True   
174  174  ?      -176.1  -163.9  Favored   3   4  1.02   5  1.25  molprobity     1  True   
175  175  p       -88.8  -178.6  Favored   7   7  0.92  10  0.98  molprobity     1  True   
176  176  ?      -137.9   161.7  Favored   5   5  0.91   7  1.59  molprobity     1  True   
177  177  m0      -87.6   -72.7  Allowed  10  16  0.83  23  0.89  molprobity     ?  False  
178  178  pt      -96.2   148.9  Favored  11   8  0.66  11  0.99  molprobity     ?  False  
179  179  m      -140.7   -52.9  Allowed   4   6  0.72   8  1.30  molprobity     ?  False  
180  180  m           ?       ?  ?         9   7  1.14   7  0.81  molprobity     ?  False  
181  181  t           ?       ?  ?         4   6  0.68   8  0.91  molprobity     1  True   
182  182  m      -124.2  -167.4  Allowed   9   7  0.77  10  1.27  molprobity     1  True   
183  183  t-105  -137.6   148.8  Favored  10  16  0.86  23  1.00  molprobity     1  True   
184  184  ?        85.8    45.3  Favored   3   4  1.07   5  0.81  molprobity     1  True   
185  185  ?      -125.2   166.8  Favored   3   4  1.00   5  1.05  molprobity     1  True   
186  186  t70     -92.6   -39.2  Favored   4   8  0.74  11  0.39  molprobity     1  True   
187  187  p      -109.5  -145.4  Allowed   4   6  0.69   8  1.01  molprobity     1  True   
188  188  m      -140.7   142.5  Favored   7   7  0.68  10  0.79  molprobity     1  True   
189  189  p30     -88.0   -98.6  Allowed   4   7  0.89   9  2.18  molprobity     1  True   
190  190  m-85    -90.6   143.7  Favored   9  12  1.08  16  0.87  molprobity     1  True   
191  191  tp      -84.5   123.2  Favored  11   8  0.90  11  0.62  molprobity     1  True   
192  192  ?       113.6   -30.7  Favored   3   4  0.82   5  0.82  molprobity     1  True   
193  193  t       -83.5   -63.9  Allowed   4   6  0.85   8  0.63  molprobity     1  True   
194  194  ?      -173.5  -164.4  Favored   3   4  0.95   5  1.18  molprobity     1  True   
195  195  p       -91.7   178.1  Favored   7   7  0.91  10  1.00  molprobity     1  True   
196  196  ?      -137.4   163.0  Favored   5   5  0.88   7  1.44  molprobity     1  True   
197  197  m0      -88.0   -74.4  Allowed  10  16  0.81  23  0.85  molprobity     ?  False  
198  198  mm      -98.3   127.4  Favored  11   8  0.69  11  0.76  molprobity     ?  False  
199  199  m      -124.5   -52.2  Allowed   4   6  0.71   8  1.23  molprobity     ?  False  
200  200  t           ?       ?  ?         9   7  1.13   7  1.10  molprobity     ?  False  
201  201  t           ?       ?  ?         4   6  0.70   8  0.76  molprobity     1  True   
202  202  m      -126.7  -168.0  Allowed   9   7  0.72  10  1.04  molprobity     1  True   
203  203  t90    -128.4   141.1  Favored  10  16  0.87  23  0.96  molprobity     1  True   
204  204  ?        82.1    56.1  Favored   3   4  1.03   5  0.59  molprobity     1  True   
205  205  ?      -135.2   170.3  Favored   3   4  1.01   5  1.11  molprobity     1  True   
206  206  t70     -95.1   -38.0  Favored   4   8  0.72  11  0.47  molprobity     1  True   
207  207  p      -105.7  -153.2  Allowed   4   6  0.66   8  1.04  molprobity     1  True   
208  208  m      -140.9   143.3  Favored   7   7  0.68  10  0.77  molprobity     1  True   
209  209  p30     -89.1  -100.3  Allowed   4   7  0.90   9  2.18  molprobity     1  True   
210  210  m-85    -87.0   155.3  Favored   9  12  1.08  16  0.80  molprobity     1  True   
211  211  mt      -81.5   123.3  Favored  11   8  0.89  11  0.73  molprobity     1  True   
212  212  ?        96.9   -17.4  Favored   3   4  0.79   5  0.46  molprobity     1  True   
213  213  t       -84.7   -66.0  Allowed   4   6  0.87   8  0.68  molprobity     1  True   
214  214  ?      -171.7  -163.2  Favored   3   4  0.94   5  1.12  molprobity     1  True   
215  215  p       -89.7  -175.7  Favored   7   7  0.87  10  0.99  molprobity     1  True   
216  216  ?      -138.9   162.5  Favored   5   5  0.90   7  1.42  molprobity     1  True   
217  217  m0     -106.2   -65.7  Allowed  10  16  0.82  23  1.03  molprobity     ?  False  
218  218  mt      -88.7   124.1  Favored  11   8  0.63  11  0.86  molprobity     ?  False  
219  219  p      -150.1   -60.1  Allowed   4   6  0.81   8  0.98  molprobity     ?  False  
220  220  m           ?       ?  ?         9   7  1.15   7  0.94  molprobity     ?  False  
221  221  m           ?       ?  ?         4   6  0.63   8  0.75  molprobity     1  True   
222  222  m       -85.0   166.9  Allowed   9   7  0.76  10  0.83  molprobity     1  True   
223  223  t-105  -121.1   149.7  Favored  10  16  0.89  23  0.99  molprobity     1  True   
224  224  ?        91.2    41.6  Favored   3   4  1.08   5  0.89  molprobity     1  True   
225  225  ?      -126.7   172.6  Favored   3   4  0.98   5  1.07  molprobity     1  True   
226  226  t70    -102.2   -39.6  Favored   4   8  0.73  11  0.52  molprobity     1  True   
227  227  p       -98.7  -143.8  Allowed   4   6  0.63   8  1.02  molprobity     1  True   
228  228  m      -144.0   143.3  Favored   7   7  0.66  10  0.86  molprobity     1  True   
229  229  p30     -88.8  -100.9  Allowed   4   7  0.92   9  2.29  molprobity     1  True   
230  230  m-85    -90.5   160.2  Favored   9  12  1.07  16  0.75  molprobity     1  True   
231  231  mt      -81.9   121.5  Favored  11   8  0.91  11  0.72  molprobity     1  True   
232  232  ?        92.1    -6.9  Favored   3   4  0.67   5  0.51  molprobity     1  True   
233  233  t       -88.8   -62.9  Allowed   4   6  0.79   8  0.59  molprobity     1  True   
234  234  ?      -177.1  -164.2  Favored   3   4  0.96   5  1.19  molprobity     1  True   
235  235  p       -88.9  -173.5  Favored   7   7  0.89  10  1.08  molprobity     1  True   
236  236  ?      -144.6   162.2  Favored   5   5  0.87   7  1.41  molprobity     1  True   
237  237  m0     -101.1   -67.5  Allowed  10  16  0.80  23  1.01  molprobity     ?  False  
238  238  mt      -89.3   121.0  Favored  11   8  0.66  11  0.82  molprobity     ?  False  
239  239  p      -151.2   168.5  Favored   4   6  0.74   8  0.80  molprobity     ?  False  
240  240  p           ?       ?  ?         9   7  1.12   7  0.80  molprobity     ?  False  
241  241  m           ?       ?  ?         4   6  0.67   8  1.02  molprobity     1  True   
242  242  m      -134.7  -167.6  Allowed   9   7  0.69  10  1.08  molprobity     1  True   
243  243  t-105  -140.7   141.6  Favored  10  16  0.87  23  1.01  molprobity     1  True   
244  244  ?        82.5    59.9  Favored   3   4  1.03   5  0.79  molprobity     1  True   
245  245  ?      -138.0   177.6  Favored   3   4  1.06   5  1.00  molprobity     1  True   
246  246  m-20    -88.8   -44.5  Favored   4   8  0.71  11  0.72  molprobity     1  True   
247  247  m      -119.8  -131.8  Allowed   4   6  0.62   8  0.88  molprobity     1  True   
248  248  m      -144.3   145.2  Favored   7   7  0.66  10  0.86  molprobity     1  True   
249  249  p30     -88.8   -99.0  Allowed   4   7  0.87   9  2.38  molprobity     1  True   
250  250  m-85    -90.2   148.7  Favored   9  12  1.07  16  0.82  molprobity     1  True   
251  251  tp      -84.3   125.2  Favored  11   8  0.92  11  0.60  molprobity     1  True   
252  252  ?       104.0   -19.9  Favored   3   4  0.78   5  0.75  molprobity     1  True   
253  253  t       -86.5   -68.2  Allowed   4   6  0.76   8  0.52  molprobity     1  True   
254  254  ?      -174.6  -164.4  Favored   3   4  0.99   5  1.19  molprobity     1  True   
255  255  p       -88.7  -172.9  Favored   7   7  0.86  10  0.95  molprobity     1  True   
256  256  ?      -141.9   146.9  Favored   5   5  0.85   7  1.57  molprobity     1  True   
257  257  m0      -87.5   -49.8  Favored  10  16  0.80  23  0.94  molprobity     ?  False  
258  258  mt      -82.5   117.5  Favored  11   8  0.66  11  0.82  molprobity     ?  False  
259  259  t      -145.6   -52.1  Allowed   4   6  0.77   8  0.95  molprobity     ?  False  
260  260  p           ?       ?  ?         9   7  1.16   7  0.91  molprobity     ?  False  
261  261  m           ?       ?  ?         4   6  0.66   8  1.00  molprobity     1  True   
262  262  m      -133.7  -166.3  Allowed   9   7  0.66  10  1.11  molprobity     1  True   
263  263  t-105  -140.3   145.2  Favored  10  16  0.88  23  1.02  molprobity     1  True   
264  264  ?        87.3    53.8  Favored   3   4  1.07   5  0.71  molprobity     1  True   
265  265  ?      -139.4   168.9  Favored   3   4  0.95   5  1.16  molprobity     1  True   
266  266  m-20    -94.3   -33.0  Favored   4   8  0.67  11  0.82  molprobity     1  True   
267  267  m      -101.3  -155.5  Allowed   4   6  0.63   8  0.76  molprobity     1  True   
268  268  m      -140.9   144.9  Favored   7   7  0.66  10  0.81  molprobity     1  True   
269  269  p30     -88.6   -98.7  Allowed   4   7  0.90   9  2.37  molprobity     1  True   
270  270  m-85    -91.9   148.8  Favored   9  12  1.07  16  0.83  molprobity     1  True   
271  271  tp      -84.8   125.0  Favored  11   8  0.90  11  0.60  molprobity     1  True   
272  272  ?       105.6   -21.7  Favored   3   4  0.77   5  0.77  molprobity     1  True   
273  273  t       -85.3   -67.6  Allowed   4   6  0.76   8  0.51  molprobity     1  True   
274  274  ?      -175.4  -164.6  Favored   3   4  1.01   5  1.22  molprobity     1  True   
275  275  p       -88.9  -176.8  Favored   7   7  0.91  10  0.97  molprobity     1  True   
276  276  ?      -143.2   152.0  Favored   5   5  0.89   7  1.79  molprobity     1  True   
277  277  m0      -91.3   -56.4  Favored  10  16  0.83  23  0.89  molprobity     ?  False  
278  278  mt      -83.0   113.3  Favored  11   8  0.64  11  0.74  molprobity     ?  False  
279  279  p      -152.2   165.4  Favored   4   6  0.76   8  0.98  molprobity     ?  False  
280  280  t           ?       ?  ?         9   7  1.10   7  1.03  molprobity     ?  False  
281  281  m           ?       ?  ?         4   6  0.64   8  1.01  molprobity     1  True   
282  282  m      -133.7  -168.1  Allowed   9   7  0.69  10  1.12  molprobity     1  True   
283  283  t-105  -140.0   144.3  Favored  10  16  0.87  23  1.00  molprobity     1  True   
284  284  ?        86.9    55.0  Favored   3   4  1.06   5  0.77  molprobity     1  True   
285  285  ?      -139.0   170.7  Favored   3   4  1.04   5  1.09  molprobity     1  True   
286  286  t70     -93.8   -38.1  Favored   4   8  0.70  11  0.46  molprobity     1  True   
287  287  p      -105.9  -154.6  Allowed   4   6  0.65   8  1.07  molprobity     1  True   
288  288  m      -139.4   144.5  Favored   7   7  0.69  10  0.78  molprobity     1  True   
289  289  p30     -88.2   -99.2  Allowed   4   7  0.89   9  2.40  molprobity     1  True   
290  290  m-85    -92.2   151.8  Favored   9  12  1.08  16  0.81  molprobity     1  True   
291  291  mp      -85.1   126.4  Favored  11   8  0.93  11  1.05  molprobity     1  True   
292  292  ?       101.6   -19.6  Favored   3   4  0.76   5  0.68  molprobity     1  True   
293  293  t       -86.0   -69.0  Allowed   4   6  0.79   8  0.51  molprobity     1  True   
294  294  ?      -175.0  -164.1  Favored   3   4  1.02   5  1.24  molprobity     1  True   
295  295  p       -88.6  -173.5  Favored   7   7  0.90  10  0.99  molprobity     1  True   
296  296  ?      -138.6   158.4  Favored   5   5  0.86   7  1.46  molprobity     1  True   
297  297  m0     -100.4   -70.1  Allowed  10  16  0.83  23  1.00  molprobity     ?  False  
298  298  tp      -87.2   133.6  Favored  11   8  0.57  11  0.87  molprobity     ?  False  
299  299  p      -151.6   -65.3  Allowed   4   6  0.84   8  1.01  molprobity     ?  False  
300  300  t           ?       ?  ?         9   7  1.14   7  1.05  molprobity     ?  False  
301  301  m           ?       ?  ?         4   6  0.65   8  1.03  molprobity     1  True   
302  302  m      -134.2  -171.9  Allowed   9   7  0.67  10  1.01  molprobity     1  True   
303  303  t90    -128.1   144.8  Favored  10  16  0.87  23  0.98  molprobity     1  True   
304  304  ?        79.4    56.0  Favored   3   4  1.06   5  0.59  molprobity     1  True   
305  305  ?      -133.6   171.0  Favored   3   4  1.03   5  1.07  molprobity     1  True   
306  306  m-20    -91.1   -39.3  Favored   4   8  0.70  11  0.77  molprobity     1  True   
307  307  p      -115.2  -143.9  Allowed   4   6  0.66   8  1.01  molprobity     1  True   
308  308  m      -140.6   144.6  Favored   7   7  0.69  10  0.80  molprobity     1  True   
309  309  p30     -88.0   -98.5  Allowed   4   7  0.91   9  2.37  molprobity     1  True   
310  310  m-85    -92.4   148.5  Favored   9  12  1.07  16  0.84  molprobity     1  True   
311  311  tp      -84.8   125.0  Favored  11   8  0.89  11  0.60  molprobity     1  True   
312  312  ?       105.0   -20.9  Favored   3   4  0.77   5  0.77  molprobity     1  True   
313  313  t       -85.6   -67.5  Allowed   4   6  0.77   8  0.50  molprobity     1  True   
314  314  ?      -174.3  -164.7  Favored   3   4  0.99   5  1.22  molprobity     1  True   
315  315  p       -89.1  -177.5  Favored   7   7  0.89  10  0.94  molprobity     1  True   
316  316  ?      -142.6   162.2  Favored   5   5  0.93   7  1.57  molprobity     1  True   
317  317  m0      -89.2   -73.0  Allowed  10  16  0.82  23  0.89  molprobity     ?  False  
318  318  mm      -98.9   129.3  Favored  11   8  0.67  11  0.74  molprobity     ?  False  
319  319  m      -127.9   163.7  Favored   4   6  0.66   8  1.15  molprobity     ?  False  
320  320  m           ?       ?  ?         9   7  1.11   7  0.97  molprobity     ?  False  
321  321  t           ?       ?  ?         4   6  0.72   8  0.87  molprobity     1  True   
322  322  m      -127.7  -164.9  Allowed   9   7  0.74  10  1.17  molprobity     1  True   
323  323  t-105  -139.6   143.8  Favored  10  16  0.88  23  1.04  molprobity     1  True   
324  324  ?        85.7    51.5  Favored   3   4  1.06   5  0.78  molprobity     1  True   
325  325  ?      -133.6   170.4  Favored   3   4  0.98   5  1.14  molprobity     1  True   
326  326  t70     -91.7   -42.4  Favored   4   8  0.72  11  0.37  molprobity     1  True   
327  327  p      -107.4  -141.6  Allowed   4   6  0.67   8  0.96  molprobity     1  True   
328  328  m      -143.2   144.1  Favored   7   7  0.67  10  0.84  molprobity     1  True   
329  329  p30     -88.9   -99.8  Allowed   4   7  0.88   9  2.13  molprobity     1  True   
330  330  t80     -82.8   149.3  Favored   9  12  1.09  16  0.55  molprobity     1  True   
331  331  mt      -79.1   109.5  Favored  11   8  0.89  11  0.72  molprobity     1  True   
332  332  ?        89.0    52.5  Favored   3   4  0.81   5  0.66  molprobity     1  True   
333  333  t      -145.9   -72.0  Allowed   4   6  0.91   8  1.10  molprobity     1  True   
334  334  ?      -164.1  -163.1  Favored   3   4  0.97   5  1.14  molprobity     1  True   
335  335  p       -89.7  -174.5  Favored   7   7  0.90  10  0.95  molprobity     1  True   
336  336  ?      -142.0   152.0  Favored   5   5  0.86   7  1.47  molprobity     1  True   
337  337  m0      -89.7   -48.9  Favored  10  16  0.81  23  0.91  molprobity     ?  False  
338  338  mt      -82.3   118.8  Favored  11   8  0.66  11  0.82  molprobity     ?  False  
339  339  m      -123.8   165.9  Favored   4   6  0.72   8  0.88  molprobity     ?  False  
340  340  m           ?       ?  ?         9   7  1.13   7  0.83  molprobity     ?  False  
341  341  m           ?       ?  ?         4   6  0.66   8  1.00  molprobity     1  True   
342  342  m      -133.2  -166.8  Allowed   9   7  0.70  10  1.13  molprobity     1  True   
343  343  t-105  -141.6   143.8  Favored  10  16  0.85  23  1.01  molprobity     1  True   
344  344  ?        86.8    55.1  Favored   3   4  1.03   5  0.73  molprobity     1  True   
345  345  ?      -139.2   172.1  Favored   3   4  1.00   5  1.12  molprobity     1  True   
346  346  t70     -94.3   -38.0  Favored   4   8  0.71  11  0.48  molprobity     1  True   
347  347  p      -104.1  -156.6  Allowed   4   6  0.64   8  1.04  molprobity     1  True   
348  348  m      -139.6   144.2  Favored   7   7  0.68  10  0.77  molprobity     1  True   
349  349  p30     -88.0   -98.6  Allowed   4   7  0.90   9  2.40  molprobity     1  True   
350  350  m-85    -92.5   147.9  Favored   9  12  1.08  16  0.84  molprobity     1  True   
351  351  tp      -85.2   124.6  Favored  11   8  0.91  11  0.62  molprobity     1  True   
352  352  ?       107.3   -22.8  Favored   3   4  0.81   5  0.80  molprobity     1  True   
353  353  t       -84.8   -67.2  Allowed   4   6  0.77   8  0.52  molprobity     1  True   
354  354  ?      -176.1  -163.7  Favored   3   4  0.99   5  1.24  molprobity     1  True   
355  355  p       -88.6  -173.3  Favored   7   7  0.92  10  0.98  molprobity     1  True   
356  356  ?      -136.8   161.1  Favored   5   5  0.86   7  1.46  molprobity     1  True   
357  357  m0     -107.8   -65.3  Allowed  10  16  0.83  23  1.04  molprobity     ?  False  
358  358  mt      -87.9   118.4  Favored  11   8  0.66  11  0.83  molprobity     ?  False  
359  359  p      -151.5   168.7  Favored   4   6  0.76   8  0.78  molprobity     ?  False  
360  360  p           ?       ?  ?         9   7  1.12   7  0.92  molprobity     ?  False  
361  361  m           ?       ?  ?         4   6  0.66   8  1.04  molprobity     1  True   
362  362  m      -134.3  -168.2  Allowed   9   7  0.67  10  1.07  molprobity     1  True   
363  363  t-105  -139.7   143.6  Favored  10  16  0.88  23  1.02  molprobity     1  True   
364  364  ?        85.2    53.4  Favored   3   4  1.03   5  0.81  molprobity     1  True   
365  365  ?      -136.2   168.6  Favored   3   4  0.94   5  1.11  molprobity     1  True   
366  366  p-10    -92.9   -34.2  Favored   4   8  0.79  11  0.64  molprobity     1  True   
367  367  m      -115.8  -137.5  Allowed   4   6  0.56   8  0.91  molprobity     1  True   
368  368  m      -144.2   146.0  Favored   7   7  0.68  10  0.84  molprobity     1  True   
369  369  p30     -89.4  -100.8  Allowed   4   7  0.91   9  2.34  molprobity     1  True   
370  370  m-85    -88.2   156.0  Favored   9  12  1.09  16  0.76  molprobity     1  True   
371  371  mt      -80.7   122.5  Favored  11   8  0.91  11  0.73  molprobity     1  True   
372  372  ?        90.8    -3.9  Favored   3   4  0.71   5  0.49  molprobity     1  True   
373  373  t       -90.9   -70.8  Allowed   4   6  0.76   8  0.56  molprobity     1  True   
374  374  ?      -170.3  -165.3  Favored   3   4  1.00   5  1.20  molprobity     1  True   
375  375  p       -88.6  -173.2  Favored   7   7  0.91  10  0.95  molprobity     1  True   
376  376  ?      -143.1   148.5  Favored   5   5  0.87   7  1.61  molprobity     1  True   
377  377  m0      -88.5   -49.2  Favored  10  16  0.81  23  0.93  molprobity     ?  False  
378  378  mm      -82.5   119.5  Favored  11   8  0.66  11  0.74  molprobity     ?  False  
379  379  t      -150.5   -52.4  Allowed   4   6  0.79   8  0.88  molprobity     ?  False  
380  380  t           ?       ?  ?         9   7  1.13   7  1.04  molprobity     ?  False  
381  381  t           ?       ?  ?         4   6  0.69   8  0.88  molprobity     1  True   
382  382  m      -126.6  -164.9  Allowed   9   7  0.78  10  1.17  molprobity     1  True   
383  383  t-105  -139.4   142.2  Favored  10  16  0.88  23  1.04  molprobity     1  True   
384  384  ?        81.9    58.2  Favored   3   4  1.01   5  0.79  molprobity     1  True   
385  385  ?      -134.9   174.8  Favored   3   4  0.99   5  1.06  molprobity     1  True   
386  386  m-20    -90.2   -42.9  Favored   4   8  0.71  11  0.73  molprobity     1  True   
387  387  m      -119.3  -133.9  Allowed   4   6  0.63   8  0.92  molprobity     1  True   
388  388  m      -145.3   143.6  Favored   7   7  0.65  10  0.85  molprobity     1  True   
389  389  p30     -89.0   -98.9  Allowed   4   7  0.88   9  2.19  molprobity     1  True   
390  390  m-85    -88.0   144.6  Favored   9  12  1.07  16  0.86  molprobity     1  True   
391  391  tp      -83.6   123.9  Favored  11   8  0.90  11  0.59  molprobity     1  True   
392  392  ?       111.0   -28.6  Favored   3   4  0.83   5  0.76  molprobity     1  True   
393  393  t       -84.3   -65.1  Allowed   4   6  0.86   8  0.66  molprobity     1  True   
394  394  ?      -173.0  -163.7  Favored   3   4  0.94   5  1.13  molprobity     1  True   
395  395  p       -89.9  -174.8  Favored   7   7  0.87  10  0.96  molprobity     1  True   
396  396  ?      -142.2   149.4  Favored   5   5  0.87   7  1.52  molprobity     1  True   
397  397  m0      -87.3   -50.6  Favored  10  16  0.79  23  0.91  molprobity     ?  False  
398  398  tt      -79.2   134.1  Favored  11   8  0.59  11  0.65  molprobity     ?  False  
399  399  t      -150.8   155.4  Favored   4   6  0.76   8  0.86  molprobity     ?  False  
400  400  p           ?       ?  ?         9   7  1.13   7  0.77  molprobity     ?  False  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  4        ?     
 3  3        ?     
 4  2        ?     
 5  3        ?     
 6  1        ?     
 7  4        True  
 8  3        ?     
 9  1        ?     
10  4        ?     
11  4        ?     
12  outlier  ?     
13  1        ?     
14  2        ?     
15  2        ?     
16  1        True  
17  outlier  ?     
18  2        True  
19  3        True  
20  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  16
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.140
_pdbx_vrpt_cyrange_domain.medoid_model        16
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.165
_pdbx_vrpt_cyrange_domain.residue_string      A:1-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           178
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           178
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            178
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  CYS   1  0.070  
 2  A  VAL   2  0.067  
 3  A  TRP   3  0.060  
 4  A  GLY   4  0.051  
 5  A  GLY   5  0.036  
 6  A  ASP   6  0.029  
 7  A  CYS   7  0.023  
 8  A  THR   8  0.036  
 9  A  ASP   9  0.046  
10  A  PHE  10  0.049  
11  A  LEU  11  0.048  
12  A  GLY  12  0.041  
13  A  CYS  13  0.033  
14  A  GLY  14  0.020  
15  A  THR  15  0.013  
16  A  ALA  16  0.013  
17  A  TRP  17  0.016  
18  A  ILE  18  0.019  
19  A  CYS  19  0.020  
20  A  VAL  20  0.020  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        TRP
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    3
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  CG
_pdbx_vrpt_chemical_shift_outlier.value          29.573
_pdbx_vrpt_chemical_shift_outlier.zscore         -42.150
_pdbx_vrpt_chemical_shift_outlier.prediction     101.31~120.62
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
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  18  
3  CB  0.50  0.00  0.00  15  
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   2    2  stereomethyl  stereomethyl  
 2  124  44  168  overall       Total         
 3   48  36   84  backbone      Total         
 4   59   3   62  sidechain     Total         
 5   17   5   22  aromatic      Total         
 6   84   4   88  overall       H             
 7   34   2   36  backbone      H             
 8   41   0   41  sidechain     H             
 9    9   2   11  aromatic      H             
10   40  23   63  overall       C             
11   14  18   32  backbone      C             
12   18   3   21  sidechain     C             
13    8   2   10  aromatic      C             
14    0  17   17  overall       N             
15    0  16   16  backbone      N             
16    0   1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   3    3  stereomethyl  stereomethyl  
 2  176  53  229  overall       Total         
 3   60  44  104  backbone      Total         
 4   88   3   91  sidechain     Total         
 5   28   6   34  aromatic      Total         
 6  118   4  122  overall       H             
 7   42   2   44  backbone      H             
 8   61   0   61  sidechain     H             
 9   15   2   17  aromatic      H             
10   58  27   85  overall       C             
11   18  22   40  backbone      C             
12   27   3   30  sidechain     C             
13   13   2   15  aromatic      C             
14    0  22   22  overall       N             
15    0  20   20  backbone      N             
16    0   2    2  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    157  
 2  "Intra-residue (|i-j|=0)"                       61  
 3  "Sequential (|i-j|=1)"                          41  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            13  
 5  "Long range (|i-j|>=5)"                         42  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               12  
10  "Number of unmapped restraints"                  4  
11  "Number of restraints per residue"             8.4  
12  "Number of long range restraints per residue"  2.1  
#
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                  61   38.9  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone     11    7.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    34   21.7  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   16   10.2  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  41   26.1  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone     19   12.1  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    20   12.7  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain    2    1.3  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  13    8.3  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone      2    1.3  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    10    6.4  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain    1    0.6  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  42   26.8  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone      8    5.1  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    25   15.9  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    9    5.7  0  0.0  0.0  0  0.0  0.0  
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                 157  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone     40   25.5  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    89   56.7  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain   28   17.8  0  0.0  0.0  0  0.0  0.0  
#
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  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
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  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 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  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 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    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 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          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
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  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 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  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 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    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 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          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
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  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI    12  100.0  0  0.0  0.0  5  41.7  41.7  
2  Total  12  100.0  0  0.0  0.0  5  41.7  41.7  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  2.20  1.80  1.80  0.40  
 2   2  0.00  0.00  0.00  0.00  
 3   3  3.20  2.07  1.50  0.80  
 4   4  1.90  1.50  1.50  0.40  
 5   5  1.20  1.20  1.20  0.00  
 6   6  3.50  2.47  2.60  0.90  
 7   7  1.80  1.50  1.50  0.30  
 8   8  1.30  1.25  1.25  0.05  
 9   9  2.40  1.87  2.00  0.50  
10  10  2.00  2.00  2.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  5.00  2.12  1.20  1.66  
13  13  2.50  1.67  1.30  0.59  
14  14  2.20  1.57  1.40  0.46  
15  15  1.80  1.60  1.60  0.16  
16  16  2.00  2.00  2.00  0.00  
17  17  1.10  1.10  1.10  0.00  
18  18  2.00  1.63  1.50  0.26  
19  19  1.50  1.45  1.45  0.05  
20  20  2.70  2.70  2.70  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    2  
 2   1  Total  2  
 3   2  PHI    0  
 4   2  Total  0  
 5   3  PHI    3  
 6   3  Total  3  
 7   4  PHI    2  
 8   4  Total  2  
 9   5  PHI    1  
10   5  Total  1  
11   6  PHI    3  
12   6  Total  3  
13   7  PHI    2  
14   7  Total  2  
15   8  PHI    2  
16   8  Total  2  
17   9  PHI    3  
18   9  Total  3  
19  10  PHI    2  
20  10  Total  2  
21  11  PHI    0  
22  11  Total  0  
23  12  PHI    4  
24  12  Total  4  
25  13  PHI    3  
26  13  Total  3  
27  14  PHI    3  
28  14  Total  3  
29  15  PHI    3  
30  15  Total  3  
31  16  PHI    1  
32  16  Total  1  
33  17  PHI    1  
34  17  Total  1  
35  18  PHI    3  
36  18  Total  3  
37  19  PHI    2  
38  19  Total  2  
39  20  PHI    1  
40  20  Total  1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    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_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    1  
 2   1  Total  1  
 3   2  PHI    0  
 4   2  Total  0  
 5   3  PHI    0  
 6   3  Total  0  
 7   4  PHI    0  
 8   4  Total  0  
 9   5  PHI    1  
10   5  Total  1  
11   6  PHI    0  
12   6  Total  0  
13   7  PHI    0  
14   7  Total  0  
15   8  PHI    1  
16   8  Total  1  
17   9  PHI    0  
18   9  Total  0  
19  10  PHI    0  
20  10  Total  0  
21  11  PHI    1  
22  11  Total  1  
23  12  PHI    0  
24  12  Total  0  
25  13  PHI    0  
26  13  Total  0  
27  14  PHI    0  
28  14  Total  0  
29  15  PHI    0  
30  15  Total  0  
31  16  PHI    1  
32  16  Total  1  
33  17  PHI    0  
34  17  Total  0  
35  18  PHI    0  
36  18  Total  0  
37  19  PHI    0  
38  19  Total  0  
39  20  PHI    0  
40  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   5.0   2.0   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
1   6  1  .  A   8  THR  ?     1  A   8  C  A  .   9  ASP   9  A  1  ?     N  .  A   9  ASP  ?     1  A   9  CA  A  .   9  ASP   9  A  1  ?     C  16  1.62  1.65  0.36  
2   8  1  .  A  14  GLY  ?     1  A  14  C  A  .  15  THR  15  A  1  ?     N  .  A  15  THR  ?     1  A  15  CA  A  .  15  THR  15  A  1  ?     C  11  1.28  1.30  0.14  
3  10  1  .  A  16  ALA  ?     1  A  16  C  A  .  17  TRP  17  A  1  ?     N  .  A  17  TRP  ?     1  A  17  CA  A  .  17  TRP  17  A  1  ?     C   8  2.26  2.45  0.62  
4  11  1  .  A  18  ILE  ?     1  A  18  C  A  .  19  CYS  19  A  1  ?     N  .  A  19  CYS  ?     1  A  19  CA  A  .  19  CYS  19  A  1  ?     C   5  2.00  1.60  0.82  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1   1  1  221  222  222  222  C  N  CA  C  5.00  
 2  11  1  118  119  119  119  C  N  CA  C  3.50  
 3  10  1   56   57   57   57  C  N  CA  C  3.20  
 4  10  1  396  397  397  397  C  N  CA  C  2.70  
 5  10  1  116  117  117  117  C  N  CA  C  2.60  
 6  10  1  256  257  257  257  C  N  CA  C  2.50  
 7  10  1  176  177  177  177  C  N  CA  C  2.40  
 8   6  1    8    9    9    9  C  N  CA  C  2.20  
 9  11  1  278  279  279  279  C  N  CA  C  2.20  
10   6  1  168  169  169  169  C  N  CA  C  2.00  
11   6  1  188  189  189  189  C  N  CA  C  2.00  
12   6  1  308  309  309  309  C  N  CA  C  2.00  
13   6  1  348  349  349  349  C  N  CA  C  2.00  
14  10  1  196  197  197  197  C  N  CA  C  2.00  
15   6  1   68   69   69   69  C  N  CA  C  1.90  
16   6  1  128  129  129  129  C  N  CA  C  1.80  
17   6  1  288  289  289  289  C  N  CA  C  1.80  
18  11  1  298  299  299  299  C  N  CA  C  1.60  
19   8  1   54   55   55   55  C  N  CA  C  1.50  
20   6  1   48   49   49   49  C  N  CA  C  1.50  
21  11  1  358  359  359  359  C  N  CA  C  1.50  
22  10  1  376  377  377  377  C  N  CA  C  1.50  
23   8  1   14   15   15   15  C  N  CA  C  1.40  
24   8  1  294  295  295  295  C  N  CA  C  1.40  
25   8  1  354  355  355  355  C  N  CA  C  1.40  
26   8  1  374  375  375  375  C  N  CA  C  1.40  
27   6  1  268  269  269  269  C  N  CA  C  1.40  
28   8  1  254  255  255  255  C  N  CA  C  1.30  
29   6  1  108  109  109  109  C  N  CA  C  1.30  
30   6  1  148  149  149  149  C  N  CA  C  1.30  
31   8  1  154  155  155  155  C  N  CA  C  1.20  
32   8  1  174  175  175  175  C  N  CA  C  1.20  
33   6  1   88   89   89   89  C  N  CA  C  1.20  
34   6  1  228  229  229  229  C  N  CA  C  1.20  
35   6  1  248  249  249  249  C  N  CA  C  1.20  
36  11  1  238  239  239  239  C  N  CA  C  1.20  
37  10  1  136  137  137  137  C  N  CA  C  1.20  
38   8  1   74   75   75   75  C  N  CA  C  1.10  
39   8  1  234  235  235  235  C  N  CA  C  1.10  
40   8  1  274  275  275  275  C  N  CA  C  1.10  
41   6  1  328  329  329  329  C  N  CA  C  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
