data_2NCX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2NCX   
BMRB  26039  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2NCX
_pdbx_vrpt_summary.PDB_deposition_date         2016-04-18
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:13:36
_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  Pseudin-2
#
_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   26.03  154571  ?     ?     
4  2  2   72.56   11451  ?     ?     
5  1  3    5.76  154315  ?     ?     
6  2  3   44.07   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    7.33  
 4  6  3  A   1  1  A    7.33  
 5  3  2  A   2  1  A    2.24  
 6  4  2  A   2  1  A    2.24  
 7  5  3  A   2  1  A    2.65  
 8  6  3  A   2  1  A    2.65  
 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    1.05  
12  6  3  A   3  1  A    1.05  
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    2.65  
16  6  3  A   4  1  A    2.65  
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    1.05  
20  6  3  A   5  1  A    1.05  
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    1.05  
24  6  3  A   6  1  A    1.05  
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    2.65  
28  6  3  A   7  1  A    2.65  
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    0.40  
32  6  3  A   8  1  A    0.40  
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    2.65  
36  6  3  A   9  1  A    2.65  
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    7.33  
40  6  3  A  10  1  A    7.33  
41  3  2  A  11  1  A    2.24  
42  4  2  A  11  1  A    2.24  
43  5  3  A  11  1  A    7.33  
44  6  3  A  11  1  A    7.33  
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    2.65  
48  6  3  A  12  1  A    2.65  
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    0.40  
52  6  3  A  13  1  A    0.40  
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    7.33  
56  6  3  A  14  1  A    7.33  
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    1.05  
60  6  3  A  15  1  A    1.05  
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    1.05  
64  6  3  A  16  1  A    1.05  
65  3  2  A  17  1  A    2.24  
66  4  2  A  17  1  A    2.24  
67  5  3  A  17  1  A    2.65  
68  6  3  A  17  1  A    2.65  
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    2.65  
72  6  3  A  18  1  A    2.65  
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    7.33  
76  6  3  A  19  1  A    7.33  
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    7.33  
80  6  3  A  20  1  A    7.33  
#
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  0.93  0.74  190  254  
 2   2  1  A  A  0.91  0.80  190  254  
 3   3  1  A  A  0.94  0.71  190  254  
 4   4  1  A  A  0.97  0.73  190  254  
 5   5  1  A  A  0.93  0.73  190  254  
 6   6  1  A  A  0.97  0.74  190  254  
 7   7  1  A  A  0.89  0.69  190  254  
 8   8  1  A  A  1.02  0.73  190  254  
 9   9  1  A  A  0.97  0.76  190  254  
10  10  1  A  A  1.03  0.72  190  254  
11  11  1  A  A  0.92  0.80  190  254  
12  12  1  A  A  0.92  0.75  190  254  
13  13  1  A  A  0.98  0.72  190  254  
14  14  1  A  A  0.95  0.73  190  254  
15  15  1  A  A  1.00  0.72  190  254  
16  16  1  A  A  0.99  0.79  190  254  
17  17  1  A  A  0.92  0.75  190  254  
18  18  1  A  A  0.93  0.71  190  254  
19  19  1  A  A  0.95  0.75  190  254  
20  20  1  A  A  0.92  0.73  190  254  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.71
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.68
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   15.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       15.75
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               4080
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3800
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.74
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            5080
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.95
#
_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                             7
_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              48.46
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  46.84
#
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  GLY  A   1  .  ?     
  2   1  1  A   2  LEU  A   2  .  ?     
  3   1  1  A   3  ASN  A   3  .  ?     
  4   1  1  A   4  ALA  A   4  .  ?     
  5   1  1  A   5  LEU  A   5  .  ?     
  6   1  1  A   6  LYS  A   6  .  ?     
  7   1  1  A   7  LYS  A   7  .  ?     
  8   1  1  A   8  VAL  A   8  .  ?     
  9   1  1  A   9  PHE  A   9  .  ?     
 10   1  1  A  10  GLN  A  10  .  ?     
 11   1  1  A  11  GLY  A  11  .  ?     
 12   1  1  A  12  ILE  A  12  .  ?     
 13   1  1  A  13  HIS  A  13  .  ?     
 14   1  1  A  14  GLU  A  14  .  ?     
 15   1  1  A  15  ALA  A  15  .  ?     
 16   1  1  A  16  ILE  A  16  .  ?     
 17   1  1  A  17  LYS  A  17  .  ?     
 18   1  1  A  18  LEU  A  18  .  ?     
 19   1  1  A  19  ILE  A  19  .  ?     
 20   1  1  A  20  ASN  A  20  .  ?     
 21   1  1  A  21  ASN  A  21  .  ?     
 22   1  1  A  22  HIS  A  22  .  ?     
 23   1  1  A  23  VAL  A  23  .  ?     
 24   1  1  A  24  GLN  A  24  .  ?     
 25   2  1  A   1  GLY  A   1  .  ?     
 26   2  1  A   2  LEU  A   2  .  ?     
 27   2  1  A   3  ASN  A   3  .  ?     
 28   2  1  A   4  ALA  A   4  .  ?     
 29   2  1  A   5  LEU  A   5  .  ?     
 30   2  1  A   6  LYS  A   6  .  ?     
 31   2  1  A   7  LYS  A   7  .  ?     
 32   2  1  A   8  VAL  A   8  .  ?     
 33   2  1  A   9  PHE  A   9  .  ?     
 34   2  1  A  10  GLN  A  10  .  ?     
 35   2  1  A  11  GLY  A  11  .  ?     
 36   2  1  A  12  ILE  A  12  .  ?     
 37   2  1  A  13  HIS  A  13  .  ?     
 38   2  1  A  14  GLU  A  14  .  ?     
 39   2  1  A  15  ALA  A  15  .  ?     
 40   2  1  A  16  ILE  A  16  .  ?     
 41   2  1  A  17  LYS  A  17  .  ?     
 42   2  1  A  18  LEU  A  18  .  ?     
 43   2  1  A  19  ILE  A  19  .  ?     
 44   2  1  A  20  ASN  A  20  .  ?     
 45   2  1  A  21  ASN  A  21  .  ?     
 46   2  1  A  22  HIS  A  22  .  ?     
 47   2  1  A  23  VAL  A  23  .  ?     
 48   2  1  A  24  GLN  A  24  .  ?     
 49   3  1  A   1  GLY  A   1  .  ?     
 50   3  1  A   2  LEU  A   2  .  ?     
 51   3  1  A   3  ASN  A   3  .  ?     
 52   3  1  A   4  ALA  A   4  .  ?     
 53   3  1  A   5  LEU  A   5  .  ?     
 54   3  1  A   6  LYS  A   6  .  ?     
 55   3  1  A   7  LYS  A   7  .  ?     
 56   3  1  A   8  VAL  A   8  .  ?     
 57   3  1  A   9  PHE  A   9  .  ?     
 58   3  1  A  10  GLN  A  10  .  ?     
 59   3  1  A  11  GLY  A  11  .  ?     
 60   3  1  A  12  ILE  A  12  .  ?     
 61   3  1  A  13  HIS  A  13  .  ?     
 62   3  1  A  14  GLU  A  14  .  ?     
 63   3  1  A  15  ALA  A  15  .  ?     
 64   3  1  A  16  ILE  A  16  .  ?     
 65   3  1  A  17  LYS  A  17  .  ?     
 66   3  1  A  18  LEU  A  18  .  ?     
 67   3  1  A  19  ILE  A  19  .  ?     
 68   3  1  A  20  ASN  A  20  .  ?     
 69   3  1  A  21  ASN  A  21  .  ?     
 70   3  1  A  22  HIS  A  22  .  ?     
 71   3  1  A  23  VAL  A  23  .  ?     
 72   3  1  A  24  GLN  A  24  .  ?     
 73   4  1  A   1  GLY  A   1  .  ?     
 74   4  1  A   2  LEU  A   2  .  ?     
 75   4  1  A   3  ASN  A   3  .  ?     
 76   4  1  A   4  ALA  A   4  .  ?     
 77   4  1  A   5  LEU  A   5  .  ?     
 78   4  1  A   6  LYS  A   6  .  ?     
 79   4  1  A   7  LYS  A   7  .  ?     
 80   4  1  A   8  VAL  A   8  .  ?     
 81   4  1  A   9  PHE  A   9  .  ?     
 82   4  1  A  10  GLN  A  10  .  ?     
 83   4  1  A  11  GLY  A  11  .  ?     
 84   4  1  A  12  ILE  A  12  .  ?     
 85   4  1  A  13  HIS  A  13  .  ?     
 86   4  1  A  14  GLU  A  14  .  ?     
 87   4  1  A  15  ALA  A  15  .  ?     
 88   4  1  A  16  ILE  A  16  .  ?     
 89   4  1  A  17  LYS  A  17  .  ?     
 90   4  1  A  18  LEU  A  18  .  ?     
 91   4  1  A  19  ILE  A  19  .  ?     
 92   4  1  A  20  ASN  A  20  .  ?     
 93   4  1  A  21  ASN  A  21  .  ?     
 94   4  1  A  22  HIS  A  22  .  ?     
 95   4  1  A  23  VAL  A  23  .  ?     
 96   4  1  A  24  GLN  A  24  .  ?     
 97   5  1  A   1  GLY  A   1  .  ?     
 98   5  1  A   2  LEU  A   2  .  ?     
 99   5  1  A   3  ASN  A   3  .  ?     
100   5  1  A   4  ALA  A   4  .  ?     
101   5  1  A   5  LEU  A   5  .  ?     
102   5  1  A   6  LYS  A   6  .  ?     
103   5  1  A   7  LYS  A   7  .  ?     
104   5  1  A   8  VAL  A   8  .  ?     
105   5  1  A   9  PHE  A   9  .  ?     
106   5  1  A  10  GLN  A  10  .  ?     
107   5  1  A  11  GLY  A  11  .  ?     
108   5  1  A  12  ILE  A  12  .  ?     
109   5  1  A  13  HIS  A  13  .  ?     
110   5  1  A  14  GLU  A  14  .  ?     
111   5  1  A  15  ALA  A  15  .  ?     
112   5  1  A  16  ILE  A  16  .  ?     
113   5  1  A  17  LYS  A  17  .  ?     
114   5  1  A  18  LEU  A  18  .  ?     
115   5  1  A  19  ILE  A  19  .  ?     
116   5  1  A  20  ASN  A  20  .  ?     
117   5  1  A  21  ASN  A  21  .  ?     
118   5  1  A  22  HIS  A  22  .  ?     
119   5  1  A  23  VAL  A  23  .  ?     
120   5  1  A  24  GLN  A  24  .  ?     
121   6  1  A   1  GLY  A   1  .  ?     
122   6  1  A   2  LEU  A   2  .  ?     
123   6  1  A   3  ASN  A   3  .  ?     
124   6  1  A   4  ALA  A   4  .  ?     
125   6  1  A   5  LEU  A   5  .  ?     
126   6  1  A   6  LYS  A   6  .  ?     
127   6  1  A   7  LYS  A   7  .  ?     
128   6  1  A   8  VAL  A   8  .  ?     
129   6  1  A   9  PHE  A   9  .  ?     
130   6  1  A  10  GLN  A  10  .  ?     
131   6  1  A  11  GLY  A  11  .  ?     
132   6  1  A  12  ILE  A  12  .  ?     
133   6  1  A  13  HIS  A  13  .  ?     
134   6  1  A  14  GLU  A  14  .  ?     
135   6  1  A  15  ALA  A  15  .  ?     
136   6  1  A  16  ILE  A  16  .  ?     
137   6  1  A  17  LYS  A  17  .  ?     
138   6  1  A  18  LEU  A  18  .  ?     
139   6  1  A  19  ILE  A  19  .  ?     
140   6  1  A  20  ASN  A  20  .  ?     
141   6  1  A  21  ASN  A  21  .  ?     
142   6  1  A  22  HIS  A  22  .  ?     
143   6  1  A  23  VAL  A  23  .  ?     
144   6  1  A  24  GLN  A  24  .  ?     
145   7  1  A   1  GLY  A   1  .  ?     
146   7  1  A   2  LEU  A   2  .  ?     
147   7  1  A   3  ASN  A   3  .  ?     
148   7  1  A   4  ALA  A   4  .  ?     
149   7  1  A   5  LEU  A   5  .  ?     
150   7  1  A   6  LYS  A   6  .  ?     
151   7  1  A   7  LYS  A   7  .  ?     
152   7  1  A   8  VAL  A   8  .  ?     
153   7  1  A   9  PHE  A   9  .  ?     
154   7  1  A  10  GLN  A  10  .  ?     
155   7  1  A  11  GLY  A  11  .  ?     
156   7  1  A  12  ILE  A  12  .  ?     
157   7  1  A  13  HIS  A  13  .  ?     
158   7  1  A  14  GLU  A  14  .  ?     
159   7  1  A  15  ALA  A  15  .  ?     
160   7  1  A  16  ILE  A  16  .  ?     
161   7  1  A  17  LYS  A  17  .  ?     
162   7  1  A  18  LEU  A  18  .  ?     
163   7  1  A  19  ILE  A  19  .  ?     
164   7  1  A  20  ASN  A  20  .  ?     
165   7  1  A  21  ASN  A  21  .  ?     
166   7  1  A  22  HIS  A  22  .  ?     
167   7  1  A  23  VAL  A  23  .  ?     
168   7  1  A  24  GLN  A  24  .  ?     
169   8  1  A   1  GLY  A   1  .  ?     
170   8  1  A   2  LEU  A   2  .  ?     
171   8  1  A   3  ASN  A   3  .  ?     
172   8  1  A   4  ALA  A   4  .  ?     
173   8  1  A   5  LEU  A   5  .  ?     
174   8  1  A   6  LYS  A   6  .  ?     
175   8  1  A   7  LYS  A   7  .  ?     
176   8  1  A   8  VAL  A   8  .  ?     
177   8  1  A   9  PHE  A   9  .  ?     
178   8  1  A  10  GLN  A  10  .  ?     
179   8  1  A  11  GLY  A  11  .  ?     
180   8  1  A  12  ILE  A  12  .  ?     
181   8  1  A  13  HIS  A  13  .  ?     
182   8  1  A  14  GLU  A  14  .  ?     
183   8  1  A  15  ALA  A  15  .  ?     
184   8  1  A  16  ILE  A  16  .  ?     
185   8  1  A  17  LYS  A  17  .  ?     
186   8  1  A  18  LEU  A  18  .  ?     
187   8  1  A  19  ILE  A  19  .  ?     
188   8  1  A  20  ASN  A  20  .  ?     
189   8  1  A  21  ASN  A  21  .  ?     
190   8  1  A  22  HIS  A  22  .  ?     
191   8  1  A  23  VAL  A  23  .  ?     
192   8  1  A  24  GLN  A  24  .  ?     
193   9  1  A   1  GLY  A   1  .  ?     
194   9  1  A   2  LEU  A   2  .  ?     
195   9  1  A   3  ASN  A   3  .  ?     
196   9  1  A   4  ALA  A   4  .  ?     
197   9  1  A   5  LEU  A   5  .  ?     
198   9  1  A   6  LYS  A   6  .  ?     
199   9  1  A   7  LYS  A   7  .  ?     
200   9  1  A   8  VAL  A   8  .  ?     
201   9  1  A   9  PHE  A   9  .  ?     
202   9  1  A  10  GLN  A  10  .  ?     
203   9  1  A  11  GLY  A  11  .  ?     
204   9  1  A  12  ILE  A  12  .  ?     
205   9  1  A  13  HIS  A  13  .  ?     
206   9  1  A  14  GLU  A  14  .  ?     
207   9  1  A  15  ALA  A  15  .  ?     
208   9  1  A  16  ILE  A  16  .  ?     
209   9  1  A  17  LYS  A  17  .  ?     
210   9  1  A  18  LEU  A  18  .  ?     
211   9  1  A  19  ILE  A  19  .  ?     
212   9  1  A  20  ASN  A  20  .  ?     
213   9  1  A  21  ASN  A  21  .  ?     
214   9  1  A  22  HIS  A  22  .  ?     
215   9  1  A  23  VAL  A  23  .  ?     
216   9  1  A  24  GLN  A  24  .  ?     
217  10  1  A   1  GLY  A   1  .  ?     
218  10  1  A   2  LEU  A   2  .  ?     
219  10  1  A   3  ASN  A   3  .  ?     
220  10  1  A   4  ALA  A   4  .  ?     
221  10  1  A   5  LEU  A   5  .  ?     
222  10  1  A   6  LYS  A   6  .  ?     
223  10  1  A   7  LYS  A   7  .  ?     
224  10  1  A   8  VAL  A   8  .  ?     
225  10  1  A   9  PHE  A   9  .  ?     
226  10  1  A  10  GLN  A  10  .  ?     
227  10  1  A  11  GLY  A  11  .  ?     
228  10  1  A  12  ILE  A  12  .  ?     
229  10  1  A  13  HIS  A  13  .  ?     
230  10  1  A  14  GLU  A  14  .  ?     
231  10  1  A  15  ALA  A  15  .  ?     
232  10  1  A  16  ILE  A  16  .  ?     
233  10  1  A  17  LYS  A  17  .  ?     
234  10  1  A  18  LEU  A  18  .  ?     
235  10  1  A  19  ILE  A  19  .  ?     
236  10  1  A  20  ASN  A  20  .  ?     
237  10  1  A  21  ASN  A  21  .  ?     
238  10  1  A  22  HIS  A  22  .  ?     
239  10  1  A  23  VAL  A  23  .  ?     
240  10  1  A  24  GLN  A  24  .  ?     
241  11  1  A   1  GLY  A   1  .  ?     
242  11  1  A   2  LEU  A   2  .  ?     
243  11  1  A   3  ASN  A   3  .  ?     
244  11  1  A   4  ALA  A   4  .  ?     
245  11  1  A   5  LEU  A   5  .  ?     
246  11  1  A   6  LYS  A   6  .  ?     
247  11  1  A   7  LYS  A   7  .  ?     
248  11  1  A   8  VAL  A   8  .  ?     
249  11  1  A   9  PHE  A   9  .  ?     
250  11  1  A  10  GLN  A  10  .  ?     
251  11  1  A  11  GLY  A  11  .  ?     
252  11  1  A  12  ILE  A  12  .  ?     
253  11  1  A  13  HIS  A  13  .  ?     
254  11  1  A  14  GLU  A  14  .  ?     
255  11  1  A  15  ALA  A  15  .  ?     
256  11  1  A  16  ILE  A  16  .  ?     
257  11  1  A  17  LYS  A  17  .  ?     
258  11  1  A  18  LEU  A  18  .  ?     
259  11  1  A  19  ILE  A  19  .  ?     
260  11  1  A  20  ASN  A  20  .  ?     
261  11  1  A  21  ASN  A  21  .  ?     
262  11  1  A  22  HIS  A  22  .  ?     
263  11  1  A  23  VAL  A  23  .  ?     
264  11  1  A  24  GLN  A  24  .  ?     
265  12  1  A   1  GLY  A   1  .  ?     
266  12  1  A   2  LEU  A   2  .  ?     
267  12  1  A   3  ASN  A   3  .  ?     
268  12  1  A   4  ALA  A   4  .  ?     
269  12  1  A   5  LEU  A   5  .  ?     
270  12  1  A   6  LYS  A   6  .  ?     
271  12  1  A   7  LYS  A   7  .  ?     
272  12  1  A   8  VAL  A   8  .  ?     
273  12  1  A   9  PHE  A   9  .  ?     
274  12  1  A  10  GLN  A  10  .  ?     
275  12  1  A  11  GLY  A  11  .  ?     
276  12  1  A  12  ILE  A  12  .  ?     
277  12  1  A  13  HIS  A  13  .  ?     
278  12  1  A  14  GLU  A  14  .  ?     
279  12  1  A  15  ALA  A  15  .  ?     
280  12  1  A  16  ILE  A  16  .  ?     
281  12  1  A  17  LYS  A  17  .  ?     
282  12  1  A  18  LEU  A  18  .  ?     
283  12  1  A  19  ILE  A  19  .  ?     
284  12  1  A  20  ASN  A  20  .  ?     
285  12  1  A  21  ASN  A  21  .  ?     
286  12  1  A  22  HIS  A  22  .  ?     
287  12  1  A  23  VAL  A  23  .  ?     
288  12  1  A  24  GLN  A  24  .  ?     
289  13  1  A   1  GLY  A   1  .  ?     
290  13  1  A   2  LEU  A   2  .  ?     
291  13  1  A   3  ASN  A   3  .  ?     
292  13  1  A   4  ALA  A   4  .  ?     
293  13  1  A   5  LEU  A   5  .  ?     
294  13  1  A   6  LYS  A   6  .  ?     
295  13  1  A   7  LYS  A   7  .  ?     
296  13  1  A   8  VAL  A   8  .  ?     
297  13  1  A   9  PHE  A   9  .  ?     
298  13  1  A  10  GLN  A  10  .  ?     
299  13  1  A  11  GLY  A  11  .  ?     
300  13  1  A  12  ILE  A  12  .  ?     
301  13  1  A  13  HIS  A  13  .  ?     
302  13  1  A  14  GLU  A  14  .  ?     
303  13  1  A  15  ALA  A  15  .  ?     
304  13  1  A  16  ILE  A  16  .  ?     
305  13  1  A  17  LYS  A  17  .  ?     
306  13  1  A  18  LEU  A  18  .  ?     
307  13  1  A  19  ILE  A  19  .  ?     
308  13  1  A  20  ASN  A  20  .  ?     
309  13  1  A  21  ASN  A  21  .  ?     
310  13  1  A  22  HIS  A  22  .  ?     
311  13  1  A  23  VAL  A  23  .  ?     
312  13  1  A  24  GLN  A  24  .  ?     
313  14  1  A   1  GLY  A   1  .  ?     
314  14  1  A   2  LEU  A   2  .  ?     
315  14  1  A   3  ASN  A   3  .  ?     
316  14  1  A   4  ALA  A   4  .  ?     
317  14  1  A   5  LEU  A   5  .  ?     
318  14  1  A   6  LYS  A   6  .  ?     
319  14  1  A   7  LYS  A   7  .  ?     
320  14  1  A   8  VAL  A   8  .  ?     
321  14  1  A   9  PHE  A   9  .  ?     
322  14  1  A  10  GLN  A  10  .  ?     
323  14  1  A  11  GLY  A  11  .  ?     
324  14  1  A  12  ILE  A  12  .  ?     
325  14  1  A  13  HIS  A  13  .  ?     
326  14  1  A  14  GLU  A  14  .  ?     
327  14  1  A  15  ALA  A  15  .  ?     
328  14  1  A  16  ILE  A  16  .  ?     
329  14  1  A  17  LYS  A  17  .  ?     
330  14  1  A  18  LEU  A  18  .  ?     
331  14  1  A  19  ILE  A  19  .  ?     
332  14  1  A  20  ASN  A  20  .  ?     
333  14  1  A  21  ASN  A  21  .  ?     
334  14  1  A  22  HIS  A  22  .  ?     
335  14  1  A  23  VAL  A  23  .  ?     
336  14  1  A  24  GLN  A  24  .  ?     
337  15  1  A   1  GLY  A   1  .  ?     
338  15  1  A   2  LEU  A   2  .  ?     
339  15  1  A   3  ASN  A   3  .  ?     
340  15  1  A   4  ALA  A   4  .  ?     
341  15  1  A   5  LEU  A   5  .  ?     
342  15  1  A   6  LYS  A   6  .  ?     
343  15  1  A   7  LYS  A   7  .  ?     
344  15  1  A   8  VAL  A   8  .  ?     
345  15  1  A   9  PHE  A   9  .  ?     
346  15  1  A  10  GLN  A  10  .  ?     
347  15  1  A  11  GLY  A  11  .  ?     
348  15  1  A  12  ILE  A  12  .  ?     
349  15  1  A  13  HIS  A  13  .  ?     
350  15  1  A  14  GLU  A  14  .  ?     
351  15  1  A  15  ALA  A  15  .  ?     
352  15  1  A  16  ILE  A  16  .  ?     
353  15  1  A  17  LYS  A  17  .  ?     
354  15  1  A  18  LEU  A  18  .  ?     
355  15  1  A  19  ILE  A  19  .  ?     
356  15  1  A  20  ASN  A  20  .  ?     
357  15  1  A  21  ASN  A  21  .  ?     
358  15  1  A  22  HIS  A  22  .  ?     
359  15  1  A  23  VAL  A  23  .  ?     
360  15  1  A  24  GLN  A  24  .  ?     
361  16  1  A   1  GLY  A   1  .  ?     
362  16  1  A   2  LEU  A   2  .  ?     
363  16  1  A   3  ASN  A   3  .  ?     
364  16  1  A   4  ALA  A   4  .  ?     
365  16  1  A   5  LEU  A   5  .  ?     
366  16  1  A   6  LYS  A   6  .  ?     
367  16  1  A   7  LYS  A   7  .  ?     
368  16  1  A   8  VAL  A   8  .  ?     
369  16  1  A   9  PHE  A   9  .  ?     
370  16  1  A  10  GLN  A  10  .  ?     
371  16  1  A  11  GLY  A  11  .  ?     
372  16  1  A  12  ILE  A  12  .  ?     
373  16  1  A  13  HIS  A  13  .  ?     
374  16  1  A  14  GLU  A  14  .  ?     
375  16  1  A  15  ALA  A  15  .  ?     
376  16  1  A  16  ILE  A  16  .  ?     
377  16  1  A  17  LYS  A  17  .  ?     
378  16  1  A  18  LEU  A  18  .  ?     
379  16  1  A  19  ILE  A  19  .  ?     
380  16  1  A  20  ASN  A  20  .  ?     
381  16  1  A  21  ASN  A  21  .  ?     
382  16  1  A  22  HIS  A  22  .  ?     
383  16  1  A  23  VAL  A  23  .  ?     
384  16  1  A  24  GLN  A  24  .  ?     
385  17  1  A   1  GLY  A   1  .  ?     
386  17  1  A   2  LEU  A   2  .  ?     
387  17  1  A   3  ASN  A   3  .  ?     
388  17  1  A   4  ALA  A   4  .  ?     
389  17  1  A   5  LEU  A   5  .  ?     
390  17  1  A   6  LYS  A   6  .  ?     
391  17  1  A   7  LYS  A   7  .  ?     
392  17  1  A   8  VAL  A   8  .  ?     
393  17  1  A   9  PHE  A   9  .  ?     
394  17  1  A  10  GLN  A  10  .  ?     
395  17  1  A  11  GLY  A  11  .  ?     
396  17  1  A  12  ILE  A  12  .  ?     
397  17  1  A  13  HIS  A  13  .  ?     
398  17  1  A  14  GLU  A  14  .  ?     
399  17  1  A  15  ALA  A  15  .  ?     
400  17  1  A  16  ILE  A  16  .  ?     
401  17  1  A  17  LYS  A  17  .  ?     
402  17  1  A  18  LEU  A  18  .  ?     
403  17  1  A  19  ILE  A  19  .  ?     
404  17  1  A  20  ASN  A  20  .  ?     
405  17  1  A  21  ASN  A  21  .  ?     
406  17  1  A  22  HIS  A  22  .  ?     
407  17  1  A  23  VAL  A  23  .  ?     
408  17  1  A  24  GLN  A  24  .  ?     
409  18  1  A   1  GLY  A   1  .  ?     
410  18  1  A   2  LEU  A   2  .  ?     
411  18  1  A   3  ASN  A   3  .  ?     
412  18  1  A   4  ALA  A   4  .  ?     
413  18  1  A   5  LEU  A   5  .  ?     
414  18  1  A   6  LYS  A   6  .  ?     
415  18  1  A   7  LYS  A   7  .  ?     
416  18  1  A   8  VAL  A   8  .  ?     
417  18  1  A   9  PHE  A   9  .  ?     
418  18  1  A  10  GLN  A  10  .  ?     
419  18  1  A  11  GLY  A  11  .  ?     
420  18  1  A  12  ILE  A  12  .  ?     
421  18  1  A  13  HIS  A  13  .  ?     
422  18  1  A  14  GLU  A  14  .  ?     
423  18  1  A  15  ALA  A  15  .  ?     
424  18  1  A  16  ILE  A  16  .  ?     
425  18  1  A  17  LYS  A  17  .  ?     
426  18  1  A  18  LEU  A  18  .  ?     
427  18  1  A  19  ILE  A  19  .  ?     
428  18  1  A  20  ASN  A  20  .  ?     
429  18  1  A  21  ASN  A  21  .  ?     
430  18  1  A  22  HIS  A  22  .  ?     
431  18  1  A  23  VAL  A  23  .  ?     
432  18  1  A  24  GLN  A  24  .  ?     
433  19  1  A   1  GLY  A   1  .  ?     
434  19  1  A   2  LEU  A   2  .  ?     
435  19  1  A   3  ASN  A   3  .  ?     
436  19  1  A   4  ALA  A   4  .  ?     
437  19  1  A   5  LEU  A   5  .  ?     
438  19  1  A   6  LYS  A   6  .  ?     
439  19  1  A   7  LYS  A   7  .  ?     
440  19  1  A   8  VAL  A   8  .  ?     
441  19  1  A   9  PHE  A   9  .  ?     
442  19  1  A  10  GLN  A  10  .  ?     
443  19  1  A  11  GLY  A  11  .  ?     
444  19  1  A  12  ILE  A  12  .  ?     
445  19  1  A  13  HIS  A  13  .  ?     
446  19  1  A  14  GLU  A  14  .  ?     
447  19  1  A  15  ALA  A  15  .  ?     
448  19  1  A  16  ILE  A  16  .  ?     
449  19  1  A  17  LYS  A  17  .  ?     
450  19  1  A  18  LEU  A  18  .  ?     
451  19  1  A  19  ILE  A  19  .  ?     
452  19  1  A  20  ASN  A  20  .  ?     
453  19  1  A  21  ASN  A  21  .  ?     
454  19  1  A  22  HIS  A  22  .  ?     
455  19  1  A  23  VAL  A  23  .  ?     
456  19  1  A  24  GLN  A  24  .  ?     
457  20  1  A   1  GLY  A   1  .  ?     
458  20  1  A   2  LEU  A   2  .  ?     
459  20  1  A   3  ASN  A   3  .  ?     
460  20  1  A   4  ALA  A   4  .  ?     
461  20  1  A   5  LEU  A   5  .  ?     
462  20  1  A   6  LYS  A   6  .  ?     
463  20  1  A   7  LYS  A   7  .  ?     
464  20  1  A   8  VAL  A   8  .  ?     
465  20  1  A   9  PHE  A   9  .  ?     
466  20  1  A  10  GLN  A  10  .  ?     
467  20  1  A  11  GLY  A  11  .  ?     
468  20  1  A  12  ILE  A  12  .  ?     
469  20  1  A  13  HIS  A  13  .  ?     
470  20  1  A  14  GLU  A  14  .  ?     
471  20  1  A  15  ALA  A  15  .  ?     
472  20  1  A  16  ILE  A  16  .  ?     
473  20  1  A  17  LYS  A  17  .  ?     
474  20  1  A  18  LEU  A  18  .  ?     
475  20  1  A  19  ILE  A  19  .  ?     
476  20  1  A  20  ASN  A  20  .  ?     
477  20  1  A  21  ASN  A  21  .  ?     
478  20  1  A  22  HIS  A  22  .  ?     
479  20  1  A  23  VAL  A  23  .  ?     
480  20  1  A  24  GLN  A  24  .  ?     
#
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  0.49   5  1.30  molprobity     ?  False  
  2    2  mp       -52.0  155.7  Allowed  11   8  0.55  11  1.30  molprobity     ?  False  
  3    3  m120     -55.4  -25.3  Favored   6   8  0.68  11  0.69  molprobity     1  True   
  4    4  ?        -64.0  -66.5  Allowed   5   5  0.52   7  1.19  molprobity     1  True   
  5    5  tt       -50.4  -46.6  Favored  11   8  0.52  11  0.85  molprobity     1  True   
  6    6  mmmm     -61.2  -39.8  Favored  13   9  0.78  11  1.22  molprobity     1  True   
  7    7  ttpm?    -60.3  -57.0  Favored  13   9  0.65  11  0.77  molprobity     1  True   
  8    8  p        -58.7  -46.5  Favored   9   7  0.57  10  1.40  molprobity     1  True   
  9    9  t80      -54.5  -52.9  Favored   9  12  0.58  16  0.51  molprobity     1  True   
 10   10  mt-30    -69.8  -30.5  Favored   8   9  0.78  12  1.08  molprobity     1  True   
 11   11  ?        -54.1  -78.3  Allowed   3   4  0.75   5  0.70  molprobity     1  True   
 12   12  OUTLIER  -58.7  -33.0  Favored  11   8  0.38  11  1.00  molprobity     1  True   
 13   13  t-160    -62.1  -61.1  Favored   7  11  1.13  15  0.86  molprobity     1  True   
 14   14  tt0      -61.5  -36.7  Favored   6   9  1.14  12  0.70  molprobity     1  True   
 15   15  ?        -58.0  -55.8  Favored   5   5  0.42   7  0.46  molprobity     1  True   
 16   16  pt       -66.7  -26.7  Favored  11   8  0.36  11  0.67  molprobity     1  True   
 17   17  OUTLIER  -76.3  -35.4  Favored  13   9  0.71  11  0.59  molprobity     1  True   
 18   18  mt       -75.4  -49.4  Favored  11   8  0.50  11  1.17  molprobity     1  True   
 19   19  tt       -55.5  -49.3  Favored  11   8  0.44  11  0.50  molprobity     1  True   
 20   20  m-20     -65.1  -39.6  Favored   6   8  0.77  11  0.90  molprobity     1  True   
 21   21  m-20     -78.6  -14.9  Favored   6   8  0.78  11  0.85  molprobity     1  True   
 22   22  t-160    -86.9  -42.7  Favored   7  11  1.30  15  0.87  molprobity     1  True   
 23   23  m        -81.0    0.8  Favored   9   7  0.54  10  1.00  molprobity     1  True   
 24   24  tt0          ?      ?  ?         8   7  0.76   8  1.13  molprobity     1  True   
 25   25  ?            ?      ?  ?         5   4  0.68   5  0.80  molprobity     ?  False  
 26   26  OUTLIER  -65.4  -68.3  Allowed  11   8  0.72  11  0.93  molprobity     ?  False  
 27   27  t-20     -61.0  -11.0  Favored   6   8  0.77  11  0.69  molprobity     1  True   
 28   28  ?        -78.2  -61.4  Favored   5   5  0.51   7  1.22  molprobity     1  True   
 29   29  tt       -55.1  -47.2  Favored  11   8  0.48  11  0.93  molprobity     1  True   
 30   30  mmtp     -58.7  -41.5  Favored  13   9  0.76  11  0.88  molprobity     1  True   
 31   31  mtmm     -58.6  -59.6  Favored  13   9  0.74  11  0.92  molprobity     1  True   
 32   32  p        -53.3  -50.2  Favored   9   7  0.65  10  1.53  molprobity     1  True   
 33   33  t80      -50.7  -56.2  Favored   9  12  0.62  16  0.53  molprobity     1  True   
 34   34  pt20     -61.4  -38.2  Favored   8   9  1.45  12  1.44  molprobity     1  True   
 35   35  ?        -52.0  -79.7  OUTLIER   3   4  0.91   5  0.73  molprobity     1  True   
 36   36  OUTLIER  -59.2  -33.8  Favored  11   8  0.47  11  0.93  molprobity     1  True   
 37   37  t-80     -62.1  -60.8  Favored   7  11  1.16  15  0.87  molprobity     1  True   
 38   38  tt0      -64.8  -39.8  Favored   6   9  1.06  12  0.77  molprobity     1  True   
 39   39  ?        -52.4  -70.3  Allowed   5   5  0.58   7  0.70  molprobity     1  True   
 40   40  pp       -52.1  -30.9  Favored  11   8  0.43  11  0.83  molprobity     1  True   
 41   41  OUTLIER  -75.8  -41.4  Favored  13   9  0.61  11  1.04  molprobity     1  True   
 42   42  mt       -69.2  -49.6  Favored  11   8  0.61  11  0.94  molprobity     1  True   
 43   43  tp       -58.5  -45.6  Favored  11   8  0.38  11  0.78  molprobity     1  True   
 44   44  m-20     -61.7  -39.7  Favored   6   8  0.75  11  0.86  molprobity     1  True   
 45   45  t-20     -76.3  -27.1  Favored   6   8  0.74  11  0.46  molprobity     1  True   
 46   46  m170     -77.8  -33.5  Favored   7  11  1.30  15  0.76  molprobity     1  True   
 47   47  m        -91.9   -6.6  Favored   9   7  0.56  10  0.78  molprobity     1  True   
 48   48  tp60         ?      ?  ?         8   7  0.52   8  0.93  molprobity     1  True   
 49   49  ?            ?      ?  ?         5   4  1.23   5  0.77  molprobity     ?  False  
 50   50  tp       -65.5  -39.1  Favored  11   8  0.54  11  0.63  molprobity     ?  False  
 51   51  m120     -54.9  -30.0  Favored   6   8  0.62  11  0.74  molprobity     1  True   
 52   52  ?        -60.6  -57.2  Favored   5   5  0.48   7  1.08  molprobity     1  True   
 53   53  OUTLIER  -56.8  -49.3  Favored  11   8  0.53  11  0.97  molprobity     1  True   
 54   54  OUTLIER  -55.0  -46.1  Favored  13   9  0.82  11  1.23  molprobity     1  True   
 55   55  mtpp     -55.1  -54.9  Favored  13   9  0.73  11  0.85  molprobity     1  True   
 56   56  p        -62.2  -39.3  Favored   9   7  0.49  10  1.20  molprobity     1  True   
 57   57  t80      -58.8  -65.5  Allowed   9  12  0.65  16  1.00  molprobity     1  True   
 58   58  mt-30    -58.4  -21.4  Favored   8   9  0.69  12  0.66  molprobity     1  True   
 59   59  ?        -63.8  -76.4  Allowed   3   4  0.78   5  0.87  molprobity     1  True   
 60   60  OUTLIER  -61.0  -33.8  Favored  11   8  0.40  11  1.07  molprobity     1  True   
 61   61  t-160    -63.3  -55.0  Favored   7  11  1.08  15  0.91  molprobity     1  True   
 62   62  tm-20    -63.9  -46.0  Favored   6   9  1.10  12  0.96  molprobity     1  True   
 63   63  ?        -46.9  -64.2  Allowed   5   5  0.52   7  0.59  molprobity     1  True   
 64   64  pt       -56.9  -34.1  Favored  11   8  0.40  11  0.78  molprobity     1  True   
 65   65  OUTLIER  -70.1  -34.8  Favored  13   9  0.71  11  1.16  molprobity     1  True   
 66   66  tp       -73.7  -52.9  Favored  11   8  0.45  11  0.86  molprobity     1  True   
 67   67  tt       -58.4  -46.6  Favored  11   8  0.35  11  0.58  molprobity     1  True   
 68   68  m-20     -66.2  -36.4  Favored   6   8  0.31  11  1.17  molprobity     1  True   
 69   69  t30      -72.7  -41.1  Favored   6   8  0.34  11  0.89  molprobity     1  True   
 70   70  t-80     -62.8  -48.1  Favored   7  11  1.15  15  0.78  molprobity     1  True   
 71   71  m        -78.9   -4.1  Favored   9   7  0.51  10  0.81  molprobity     1  True   
 72   72  tt0          ?      ?  ?         8   7  0.62   8  1.50  molprobity     1  True   
 73   73  ?            ?      ?  ?         5   4  0.43   5  1.21  molprobity     ?  False  
 74   74  OUTLIER  -48.8  -37.9  Favored  11   8  0.58  11  0.92  molprobity     ?  False  
 75   75  m-20     -45.0  -34.0  Favored   6   8  0.72  11  0.90  molprobity     1  True   
 76   76  ?        -62.6  -60.9  Favored   5   5  0.53   7  0.98  molprobity     1  True   
 77   77  tt       -56.7  -50.8  Favored  11   8  0.52  11  0.96  molprobity     1  True   
 78   78  mmmm     -53.4  -45.7  Favored  13   9  0.80  11  1.03  molprobity     1  True   
 79   79  ttpt     -57.5  -52.2  Favored  13   9  0.79  11  0.90  molprobity     1  True   
 80   80  p        -63.7  -42.5  Favored   9   7  0.42  10  0.99  molprobity     1  True   
 81   81  t80      -56.6  -59.3  Favored   9  12  0.64  16  1.04  molprobity     1  True   
 82   82  mt-30    -63.2  -27.0  Favored   8   9  0.85  12  1.26  molprobity     1  True   
 83   83  ?        -61.2  -77.8  Allowed   3   4  0.94   5  1.03  molprobity     1  True   
 84   84  OUTLIER  -58.6  -34.0  Favored  11   8  0.35  11  0.96  molprobity     1  True   
 85   85  t-160    -63.6  -55.5  Favored   7  11  1.13  15  1.11  molprobity     1  True   
 86   86  tm-20    -61.6  -46.5  Favored   6   9  1.08  12  0.73  molprobity     1  True   
 87   87  ?        -48.0  -62.7  Allowed   5   5  0.47   7  0.65  molprobity     1  True   
 88   88  pt       -60.2  -28.4  Favored  11   8  0.39  11  0.85  molprobity     1  True   
 89   89  OUTLIER  -77.6  -34.7  Favored  13   9  0.72  11  1.29  molprobity     1  True   
 90   90  tp       -69.5  -52.7  Favored  11   8  0.47  11  0.98  molprobity     1  True   
 91   91  tp       -59.3  -45.9  Favored  11   8  0.40  11  0.71  molprobity     1  True   
 92   92  m-20     -65.5  -35.4  Favored   6   8  0.71  11  0.85  molprobity     1  True   
 93   93  m-20     -83.4  -19.1  Favored   6   8  0.62  11  1.02  molprobity     1  True   
 94   94  t-80     -80.4  -38.4  Favored   7  11  1.19  15  0.74  molprobity     1  True   
 95   95  m        -86.7   -2.7  Favored   9   7  0.51  10  0.73  molprobity     1  True   
 96   96  tp60         ?      ?  ?         8   7  0.60   8  1.08  molprobity     1  True   
 97   97  ?            ?      ?  ?         5   4  0.47   5  1.91  molprobity     ?  False  
 98   98  mp       -80.0  155.4  Favored  11   8  0.47  11  1.32  molprobity     ?  False  
 99   99  m-20     -61.7  -43.0  Favored   6   8  0.81  11  0.77  molprobity     1  True   
100  100  ?        -56.1  -63.9  Allowed   5   5  0.60   7  1.22  molprobity     1  True   
101  101  tt       -49.9  -47.9  Favored  11   8  0.52  11  0.77  molprobity     1  True   
102  102  OUTLIER  -57.6  -43.3  Favored  13   9  0.83  11  1.29  molprobity     1  True   
103  103  OUTLIER  -56.7  -66.8  Allowed  13   9  0.71  11  0.81  molprobity     1  True   
104  104  p        -49.3  -46.6  Favored   9   7  0.59  10  1.31  molprobity     1  True   
105  105  t80      -52.8  -59.5  Favored   9  12  0.59  16  0.52  molprobity     1  True   
106  106  mt-30    -66.7  -24.4  Favored   8   9  0.83  12  0.86  molprobity     1  True   
107  107  ?        -61.7  -76.8  Allowed   3   4  0.69   5  0.96  molprobity     1  True   
108  108  OUTLIER  -57.7  -34.4  Favored  11   8  0.42  11  1.13  molprobity     1  True   
109  109  t60      -60.8  -62.4  Allowed   7  11  1.06  15  0.69  molprobity     1  True   
110  110  tt0      -60.8  -38.9  Favored   6   9  1.24  12  0.76  molprobity     1  True   
111  111  ?        -54.2  -62.4  Allowed   5   5  0.45   7  0.60  molprobity     1  True   
112  112  pt       -58.7  -29.2  Favored  11   8  0.34  11  0.62  molprobity     1  True   
113  113  OUTLIER  -74.1  -37.0  Favored  13   9  0.66  11  0.60  molprobity     1  True   
114  114  mt       -74.6  -49.2  Favored  11   8  0.53  11  1.05  molprobity     1  True   
115  115  tp       -57.0  -45.7  Favored  11   8  0.44  11  0.72  molprobity     1  True   
116  116  m-20     -65.2  -43.7  Favored   6   8  0.65  11  0.85  molprobity     1  True   
117  117  t30      -70.5  -25.1  Favored   6   8  0.71  11  0.60  molprobity     1  True   
118  118  t-80     -79.3  -40.9  Favored   7  11  1.07  15  0.93  molprobity     1  True   
119  119  m        -85.9    3.0  Favored   9   7  0.58  10  0.87  molprobity     1  True   
120  120  tt0          ?      ?  ?         8   7  0.67   8  0.98  molprobity     1  True   
121  121  ?            ?      ?  ?         5   4  0.60   5  2.01  molprobity     ?  False  
122  122  mt       -70.5  172.6  Favored  11   8  0.45  11  0.87  molprobity     ?  False  
123  123  m120     -67.1  -27.6  Favored   6   8  0.67  11  0.70  molprobity     1  True   
124  124  ?        -57.6  -62.8  Allowed   5   5  0.58   7  1.23  molprobity     1  True   
125  125  OUTLIER  -55.2  -45.6  Favored  11   8  0.49  11  1.04  molprobity     1  True   
126  126  mptm?    -55.1  -46.3  Favored  13   9  0.60  11  0.81  molprobity     1  True   
127  127  mtmt     -57.7  -63.5  Allowed  13   9  0.81  11  0.89  molprobity     1  True   
128  128  p        -50.2  -45.9  Favored   9   7  0.63  10  1.48  molprobity     1  True   
129  129  t80      -55.1  -64.0  Allowed   9  12  0.59  16  0.83  molprobity     1  True   
130  130  mt-30    -56.1  -30.2  Favored   8   9  1.05  12  0.95  molprobity     1  True   
131  131  ?        -61.3  -78.0  Allowed   3   4  0.62   5  0.93  molprobity     1  True   
132  132  OUTLIER  -57.5  -35.2  Favored  11   8  0.36  11  1.06  molprobity     1  True   
133  133  t-80     -59.6  -60.0  Favored   7  11  1.01  15  1.12  molprobity     1  True   
134  134  OUTLIER  -59.5  -46.9  Favored   6   9  1.14  12  0.94  molprobity     1  True   
135  135  ?        -50.0  -58.5  Favored   5   5  0.48   7  0.73  molprobity     1  True   
136  136  pt       -61.2  -30.0  Favored  11   8  0.45  11  0.66  molprobity     1  True   
137  137  OUTLIER  -76.2  -33.2  Favored  13   9  0.68  11  0.60  molprobity     1  True   
138  138  tp       -70.9  -54.9  Favored  11   8  0.47  11  1.21  molprobity     1  True   
139  139  tt       -57.7  -49.0  Favored  11   8  0.37  11  0.49  molprobity     1  True   
140  140  m-20     -63.7  -39.1  Favored   6   8  0.91  11  0.83  molprobity     1  True   
141  141  m-20     -82.4  -11.9  Favored   6   8  0.59  11  1.02  molprobity     1  True   
142  142  t-80     -90.3  -36.3  Favored   7  11  1.24  15  0.66  molprobity     1  True   
143  143  m        -85.7   -0.7  Favored   9   7  0.51  10  0.88  molprobity     1  True   
144  144  tm0?         ?      ?  ?         8   7  0.78   8  1.13  molprobity     1  True   
145  145  ?            ?      ?  ?         5   4  0.94   5  1.21  molprobity     ?  False  
146  146  OUTLIER  -88.1  -68.4  Allowed  11   8  0.75  11  0.92  molprobity     ?  False  
147  147  m-80     -57.8  -26.3  Favored   6   8  0.68  11  0.75  molprobity     1  True   
148  148  ?        -62.3  -62.9  Allowed   5   5  0.58   7  1.34  molprobity     1  True   
149  149  tt       -56.2  -45.1  Favored  11   8  0.52  11  0.94  molprobity     1  True   
150  150  mmtm     -57.5  -52.7  Favored  13   9  0.83  11  1.03  molprobity     1  True   
151  151  mtmt     -48.1  -63.0  Allowed  13   9  0.67  11  0.85  molprobity     1  True   
152  152  p        -51.5  -46.9  Favored   9   7  0.56  10  1.47  molprobity     1  True   
153  153  t80      -55.4  -59.3  Favored   9  12  0.54  16  0.43  molprobity     1  True   
154  154  pt20     -60.9  -29.1  Favored   8   9  0.74  12  1.25  molprobity     1  True   
155  155  ?        -62.5  -75.3  Allowed   3   4  0.60   5  0.98  molprobity     1  True   
156  156  OUTLIER  -59.0  -33.9  Favored  11   8  0.45  11  0.99  molprobity     1  True   
157  157  t60      -59.8  -64.7  Allowed   7  11  0.83  15  0.85  molprobity     1  True   
158  158  tt0      -59.5  -38.4  Favored   6   9  1.25  12  0.59  molprobity     1  True   
159  159  ?        -55.2  -61.9  Favored   5   5  0.47   7  0.65  molprobity     1  True   
160  160  pt       -59.6  -25.1  Favored  11   8  0.40  11  0.59  molprobity     1  True   
161  161  OUTLIER  -77.6  -39.4  Favored  13   9  0.60  11  0.57  molprobity     1  True   
162  162  mt       -67.3  -54.1  Favored  11   8  0.50  11  0.98  molprobity     1  True   
163  163  tt       -54.6  -51.0  Favored  11   8  0.34  11  0.54  molprobity     1  True   
164  164  m-20     -61.9  -40.2  Favored   6   8  0.60  11  0.84  molprobity     1  True   
165  165  t30      -76.6  -17.6  Favored   6   8  0.70  11  0.53  molprobity     1  True   
166  166  t-80     -85.2  -40.7  Favored   7  11  0.94  15  0.94  molprobity     1  True   
167  167  m        -85.8   -6.9  Favored   9   7  0.47  10  0.83  molprobity     1  True   
168  168  tt0          ?      ?  ?         8   7  0.51   8  0.86  molprobity     1  True   
169  169  ?            ?      ?  ?         5   4  0.51   5  2.00  molprobity     ?  False  
170  170  mp       -60.5  157.5  Favored  11   8  0.44  11  1.26  molprobity     ?  False  
171  171  OUTLIER  -43.9  -46.7  Favored   6   8  0.82  11  1.10  molprobity     1  True   
172  172  ?        -52.0  -61.1  Favored   5   5  0.57   7  1.38  molprobity     1  True   
173  173  OUTLIER  -54.9  -46.6  Favored  11   8  0.50  11  0.88  molprobity     1  True   
174  174  mmmt     -58.7  -38.6  Favored  13   9  0.82  11  1.23  molprobity     1  True   
175  175  OUTLIER  -67.0  -49.8  Favored  13   9  0.70  11  0.89  molprobity     1  True   
176  176  p        -62.9  -47.8  Favored   9   7  0.50  10  1.30  molprobity     1  True   
177  177  t80      -51.2  -61.5  Favored   9  12  0.59  16  0.70  molprobity     1  True   
178  178  mt-30    -65.9  -21.0  Favored   8   9  0.93  12  1.11  molprobity     1  True   
179  179  ?        -61.0  -78.7  Allowed   3   4  1.04   5  0.66  molprobity     1  True   
180  180  OUTLIER  -57.2  -35.2  Favored  11   8  0.47  11  1.21  molprobity     1  True   
181  181  t-160    -62.2  -58.5  Favored   7  11  1.13  15  0.83  molprobity     1  True   
182  182  tt0      -62.5  -39.0  Favored   6   9  1.07  12  0.84  molprobity     1  True   
183  183  ?        -52.3  -70.1  Allowed   5   5  0.54   7  0.63  molprobity     1  True   
184  184  pt       -50.9  -32.3  Favored  11   8  0.53  11  0.84  molprobity     1  True   
185  185  OUTLIER  -74.9  -32.9  Favored  13   9  0.70  11  1.00  molprobity     1  True   
186  186  mt       -77.2  -52.6  Favored  11   8  0.51  11  0.88  molprobity     1  True   
187  187  tp       -55.6  -41.6  Favored  11   8  0.37  11  0.76  molprobity     1  True   
188  188  m-20     -71.1  -38.2  Favored   6   8  0.43  11  1.21  molprobity     1  True   
189  189  t-20     -71.5  -28.2  Favored   6   8  0.71  11  0.62  molprobity     1  True   
190  190  t-160    -74.7  -53.9  Favored   7  11  1.11  15  1.12  molprobity     1  True   
191  191  m        -72.3  -12.9  Favored   9   7  0.48  10  0.67  molprobity     1  True   
192  192  mm-40        ?      ?  ?         8   7  0.55   8  1.03  molprobity     1  True   
193  193  ?            ?      ?  ?         5   4  0.60   5  1.73  molprobity     ?  False  
194  194  OUTLIER  -65.1  163.9  Favored  11   8  0.47  11  0.61  molprobity     ?  False  
195  195  m-20     -76.5  -38.0  Favored   6   8  0.68  11  0.77  molprobity     1  True   
196  196  ?        -53.7  -61.5  Favored   5   5  0.64   7  1.22  molprobity     1  True   
197  197  tt       -52.3  -39.4  Favored  11   8  0.56  11  0.85  molprobity     1  True   
198  198  mptt     -64.1  -52.0  Favored  13   9  0.77  11  1.19  molprobity     1  True   
199  199  ttpp     -49.7  -51.6  Favored  13   9  0.64  11  0.93  molprobity     1  True   
200  200  p        -63.8  -43.0  Favored   9   7  0.55  10  1.35  molprobity     1  True   
201  201  t80      -56.4  -62.8  Allowed   9  12  0.62  16  0.80  molprobity     1  True   
202  202  mt-30    -56.8  -29.8  Favored   8   9  1.02  12  1.13  molprobity     1  True   
203  203  ?        -61.4  -76.3  Allowed   3   4  0.61   5  0.75  molprobity     1  True   
204  204  OUTLIER  -60.1  -36.0  Favored  11   8  0.41  11  0.99  molprobity     1  True   
205  205  t-160    -58.5  -61.3  Favored   7  11  1.24  15  1.05  molprobity     1  True   
206  206  tt0      -60.7  -39.5  Favored   6   9  1.21  12  0.59  molprobity     1  True   
207  207  ?        -54.4  -66.2  Allowed   5   5  0.45   7  0.52  molprobity     1  True   
208  208  pt       -54.9  -29.5  Favored  11   8  0.41  11  0.57  molprobity     1  True   
209  209  OUTLIER  -78.5  -34.8  Favored  13   9  0.74  11  1.43  molprobity     1  True   
210  210  mt       -72.3  -52.2  Favored  11   8  0.49  11  1.01  molprobity     1  True   
211  211  tt       -54.8  -46.8  Favored  11   8  0.38  11  0.56  molprobity     1  True   
212  212  m-20     -67.9  -33.7  Favored   6   8  0.76  11  0.93  molprobity     1  True   
213  213  t30      -79.7  -18.1  Favored   6   8  0.58  11  0.60  molprobity     1  True   
214  214  t-160    -86.7  -40.8  Favored   7  11  1.29  15  1.14  molprobity     1  True   
215  215  m        -84.2    2.1  Favored   9   7  0.50  10  0.87  molprobity     1  True   
216  216  tm0?         ?      ?  ?         8   7  0.72   8  1.16  molprobity     1  True   
217  217  ?            ?      ?  ?         5   4  0.69   5  0.62  molprobity     ?  False  
218  218  mt       -49.4  -59.0  Favored  11   8  0.70  11  1.00  molprobity     ?  False  
219  219  m-20     -58.1  -22.6  Favored   6   8  0.59  11  1.16  molprobity     1  True   
220  220  ?        -69.6  -58.6  Favored   5   5  0.59   7  1.37  molprobity     1  True   
221  221  tt       -57.9  -45.7  Favored  11   8  0.54  11  0.95  molprobity     1  True   
222  222  mmtt     -56.1  -59.8  Favored  13   9  0.85  11  1.06  molprobity     1  True   
223  223  ttpt     -38.7  -63.1  Allowed  13   9  0.88  11  1.18  molprobity     1  True   
224  224  p        -56.0  -44.9  Favored   9   7  0.69  10  1.74  molprobity     1  True   
225  225  t80      -56.3  -57.5  Favored   9  12  0.58  16  0.55  molprobity     1  True   
226  226  pt20     -64.0  -26.7  Favored   8   9  0.68  12  1.42  molprobity     1  True   
227  227  ?        -62.8  -74.5  Allowed   3   4  0.85   5  0.75  molprobity     1  True   
228  228  OUTLIER  -60.0  -34.6  Favored  11   8  0.45  11  1.04  molprobity     1  True   
229  229  t60      -58.2  -61.8  Favored   7  11  1.07  15  0.93  molprobity     1  True   
230  230  tt0      -62.7  -40.8  Favored   6   9  1.03  12  1.00  molprobity     1  True   
231  231  ?        -52.0  -64.4  Allowed   5   5  0.48   7  0.40  molprobity     1  True   
232  232  pt       -55.8  -33.6  Favored  11   8  0.44  11  0.76  molprobity     1  True   
233  233  OUTLIER  -72.9  -34.4  Favored  13   9  0.68  11  1.18  molprobity     1  True   
234  234  mt       -73.9  -51.2  Favored  11   8  0.46  11  0.92  molprobity     1  True   
235  235  tt       -58.6  -41.8  Favored  11   8  0.35  11  0.68  molprobity     1  True   
236  236  m-20     -67.7  -40.5  Favored   6   8  0.50  11  1.14  molprobity     1  True   
237  237  t30      -74.7  -24.1  Favored   6   8  0.51  11  0.74  molprobity     1  True   
238  238  t-80     -76.9  -48.6  Favored   7  11  1.06  15  1.12  molprobity     1  True   
239  239  m        -79.4   -1.1  Favored   9   7  0.56  10  0.82  molprobity     1  True   
240  240  mt-30        ?      ?  ?         8   7  0.85   8  1.01  molprobity     1  True   
241  241  ?            ?      ?  ?         5   4  1.05   5  1.02  molprobity     ?  False  
242  242  tp       -60.3  -57.7  Favored  11   8  0.63  11  0.95  molprobity     ?  False  
243  243  m-20     -65.1  -24.2  Favored   6   8  0.80  11  0.71  molprobity     1  True   
244  244  ?        -61.5  -61.9  Favored   5   5  0.65   7  1.26  molprobity     1  True   
245  245  tt       -52.1  -47.1  Favored  11   8  0.55  11  0.88  molprobity     1  True   
246  246  mptm?    -56.3  -49.3  Favored  13   9  0.94  11  1.12  molprobity     1  True   
247  247  ttpt     -50.6  -60.2  Favored  13   9  0.72  11  0.85  molprobity     1  True   
248  248  p        -54.6  -46.8  Favored   9   7  0.72  10  1.79  molprobity     1  True   
249  249  t80      -54.7  -60.7  Favored   9  12  0.60  16  0.80  molprobity     1  True   
250  250  mt-30    -56.3  -38.9  Favored   8   9  0.99  12  0.78  molprobity     1  True   
251  251  ?        -50.2  -78.9  OUTLIER   3   4  0.96   5  0.67  molprobity     1  True   
252  252  OUTLIER  -57.9  -36.9  Favored  11   8  0.45  11  1.06  molprobity     1  True   
253  253  t-80     -58.2  -65.6  Allowed   7  11  1.06  15  0.80  molprobity     1  True   
254  254  tt0      -54.0  -42.5  Favored   6   9  1.27  12  0.64  molprobity     1  True   
255  255  ?        -53.9  -70.6  Allowed   5   5  0.68   7  0.94  molprobity     1  True   
256  256  pt       -51.0  -31.3  Favored  11   8  0.43  11  0.76  molprobity     1  True   
257  257  mmpt?    -71.5  -49.5  Favored  13   9  0.68  11  0.57  molprobity     1  True   
258  258  mt       -62.2  -53.0  Favored  11   8  0.55  11  1.06  molprobity     1  True   
259  259  tp       -57.5  -40.2  Favored  11   8  0.49  11  0.62  molprobity     1  True   
260  260  OUTLIER  -58.5  -50.9  Favored   6   8  0.79  11  1.03  molprobity     1  True   
261  261  t-20     -73.9  -26.6  Favored   6   8  0.81  11  0.59  molprobity     1  True   
262  262  t-80     -70.3  -45.8  Favored   7  11  1.08  15  1.03  molprobity     1  True   
263  263  m        -77.6  -30.1  Favored   9   7  0.55  10  0.79  molprobity     1  True   
264  264  mm-40        ?      ?  ?         8   7  0.80   8  0.67  molprobity     1  True   
265  265  ?            ?      ?  ?         5   4  0.86   5  0.62  molprobity     ?  False  
266  266  pt?      -41.1  -36.6  Allowed  11   8  0.72  11  0.87  molprobity     ?  False  
267  267  t-20     -54.0  -29.3  Favored   6   8  0.69  11  0.95  molprobity     1  True   
268  268  ?        -55.5  -66.8  Allowed   5   5  0.46   7  1.06  molprobity     1  True   
269  269  tt       -52.5  -49.1  Favored  11   8  0.49  11  0.88  molprobity     1  True   
270  270  mmmm     -57.8  -40.4  Favored  13   9  0.82  11  1.09  molprobity     1  True   
271  271  mtmt     -61.9  -53.8  Favored  13   9  0.65  11  0.78  molprobity     1  True   
272  272  p        -59.6  -47.6  Favored   9   7  0.48  10  1.31  molprobity     1  True   
273  273  t80      -54.1  -60.5  Favored   9  12  0.53  16  0.76  molprobity     1  True   
274  274  pt20     -56.8  -35.3  Favored   8   9  1.22  12  1.24  molprobity     1  True   
275  275  ?        -56.7  -78.0  Allowed   3   4  1.16   5  0.92  molprobity     1  True   
276  276  OUTLIER  -57.3  -36.0  Favored  11   8  0.47  11  1.03  molprobity     1  True   
277  277  t-160    -59.9  -59.5  Favored   7  11  1.05  15  1.12  molprobity     1  True   
278  278  tt0      -61.7  -43.5  Favored   6   9  1.14  12  0.61  molprobity     1  True   
279  279  ?        -49.6  -68.3  Allowed   5   5  0.60   7  0.56  molprobity     1  True   
280  280  pt       -51.9  -31.7  Favored  11   8  0.40  11  0.70  molprobity     1  True   
281  281  OUTLIER  -75.4  -35.6  Favored  13   9  0.67  11  0.62  molprobity     1  True   
282  282  mt       -75.7  -44.9  Favored  11   8  0.47  11  0.80  molprobity     1  True   
283  283  tp       -62.7  -47.8  Favored  11   8  0.35  11  0.78  molprobity     1  True   
284  284  m-20     -62.4  -38.8  Favored   6   8  0.47  11  1.14  molprobity     1  True   
285  285  OUTLIER  -79.2  -22.4  Favored   6   8  0.40  11  0.93  molprobity     1  True   
286  286  t-80     -72.6  -52.3  Favored   7  11  1.17  15  0.93  molprobity     1  True   
287  287  m        -71.7  -27.1  Favored   9   7  0.48  10  0.63  molprobity     1  True   
288  288  tp60         ?      ?  ?         8   7  0.73   8  1.06  molprobity     1  True   
289  289  ?            ?      ?  ?         5   4  0.69   5  0.95  molprobity     ?  False  
290  290  OUTLIER  -59.8  -29.8  Favored  11   8  0.56  11  0.85  molprobity     ?  False  
291  291  p-10     -59.7  -29.7  Favored   6   8  0.69  11  0.74  molprobity     1  True   
292  292  ?        -61.6  -60.3  Favored   5   5  0.51   7  1.25  molprobity     1  True   
293  293  OUTLIER  -54.8  -50.5  Favored  11   8  0.52  11  0.91  molprobity     1  True   
294  294  OUTLIER  -53.5  -48.2  Favored  13   9  0.88  11  1.46  molprobity     1  True   
295  295  ttpp     -54.7  -57.2  Favored  13   9  0.63  11  0.70  molprobity     1  True   
296  296  p        -57.0  -46.6  Favored   9   7  0.54  10  1.42  molprobity     1  True   
297  297  t80      -52.6  -64.6  Allowed   9  12  0.60  16  0.97  molprobity     1  True   
298  298  mt-30    -58.6  -24.3  Favored   8   9  0.71  12  0.67  molprobity     1  True   
299  299  ?        -60.4  -74.1  Allowed   3   4  1.01   5  0.75  molprobity     1  True   
300  300  OUTLIER  -63.1  -35.0  Favored  11   8  0.42  11  0.99  molprobity     1  True   
301  301  t-80     -61.4  -57.6  Favored   7  11  1.07  15  0.99  molprobity     1  True   
302  302  tt0      -64.6  -39.1  Favored   6   9  1.20  12  0.93  molprobity     1  True   
303  303  ?        -53.1  -59.4  Favored   5   5  0.48   7  0.60  molprobity     1  True   
304  304  pt       -61.3  -31.2  Favored  11   8  0.38  11  0.78  molprobity     1  True   
305  305  OUTLIER  -74.5  -35.9  Favored  13   9  0.69  11  1.03  molprobity     1  True   
306  306  mt       -72.4  -48.3  Favored  11   8  0.48  11  0.94  molprobity     1  True   
307  307  tt       -62.1  -40.6  Favored  11   8  0.32  11  0.76  molprobity     1  True   
308  308  m-20     -66.9  -44.1  Favored   6   8  0.59  11  0.90  molprobity     1  True   
309  309  m-20     -74.0  -21.3  Favored   6   8  0.52  11  0.87  molprobity     1  True   
310  310  t-80     -76.7  -53.1  Favored   7  11  1.20  15  1.00  molprobity     1  True   
311  311  m        -72.6  -12.4  Favored   9   7  0.49  10  0.80  molprobity     1  True   
312  312  tt0          ?      ?  ?         8   7  0.53   8  1.61  molprobity     1  True   
313  313  ?            ?      ?  ?         5   4  1.06   5  0.75  molprobity     ?  False  
314  314  mt       -69.6  -48.2  Favored  11   8  0.62  11  1.08  molprobity     ?  False  
315  315  p30      -53.2  -31.7  Favored   6   8  0.76  11  0.73  molprobity     1  True   
316  316  ?        -62.6  -58.1  Favored   5   5  0.54   7  1.24  molprobity     1  True   
317  317  tt       -56.9  -47.9  Favored  11   8  0.50  11  0.96  molprobity     1  True   
318  318  mmtm     -57.0  -42.5  Favored  13   9  0.73  11  1.04  molprobity     1  True   
319  319  ttmt     -58.5  -58.6  Favored  13   9  0.68  11  1.10  molprobity     1  True   
320  320  p        -57.9  -47.0  Favored   9   7  0.54  10  1.66  molprobity     1  True   
321  321  t80      -51.1  -59.4  Favored   9  12  0.54  16  0.48  molprobity     1  True   
322  322  pt20     -63.8  -27.5  Favored   8   9  0.76  12  1.33  molprobity     1  True   
323  323  ?        -62.1  -76.7  Allowed   3   4  0.85   5  1.05  molprobity     1  True   
324  324  OUTLIER  -57.7  -36.6  Favored  11   8  0.43  11  1.06  molprobity     1  True   
325  325  t-80     -59.3  -59.5  Favored   7  11  1.10  15  0.77  molprobity     1  True   
326  326  tt0      -61.8  -43.4  Favored   6   9  1.21  12  0.67  molprobity     1  True   
327  327  ?        -48.4  -69.2  Allowed   5   5  0.59   7  0.71  molprobity     1  True   
328  328  pt       -50.9  -34.1  Favored  11   8  0.45  11  0.75  molprobity     1  True   
329  329  OUTLIER  -73.9  -35.4  Favored  13   9  0.66  11  0.53  molprobity     1  True   
330  330  mt       -73.8  -47.9  Favored  11   8  0.52  11  0.80  molprobity     1  True   
331  331  tp       -62.7  -41.8  Favored  11   8  0.34  11  0.77  molprobity     1  True   
332  332  m-20     -66.0  -43.7  Favored   6   8  0.50  11  1.03  molprobity     1  True   
333  333  t-20     -66.8  -39.6  Favored   6   8  0.78  11  0.69  molprobity     1  True   
334  334  t-80     -61.2  -53.6  Favored   7  11  1.13  15  0.93  molprobity     1  True   
335  335  m        -72.8  -20.5  Favored   9   7  0.45  10  0.65  molprobity     1  True   
336  336  tt0          ?      ?  ?         8   7  0.51   8  1.50  molprobity     1  True   
337  337  ?            ?      ?  ?         5   4  0.37   5  2.23  molprobity     ?  False  
338  338  mp       -62.6  149.1  Favored  11   8  0.38  11  1.00  molprobity     ?  False  
339  339  m-20     -70.5  -30.6  Favored   6   8  0.65  11  0.85  molprobity     1  True   
340  340  ?        -55.4  -66.8  Allowed   5   5  0.61   7  1.06  molprobity     1  True   
341  341  OUTLIER  -48.9  -46.7  Favored  11   8  0.52  11  0.98  molprobity     1  True   
342  342  OUTLIER  -57.6  -43.9  Favored  13   9  0.68  11  0.98  molprobity     1  True   
343  343  ttpt     -55.6  -62.2  Allowed  13   9  0.83  11  1.25  molprobity     1  True   
344  344  p        -54.6  -44.0  Favored   9   7  0.52  10  1.31  molprobity     1  True   
345  345  t80      -58.5  -59.1  Favored   9  12  0.59  16  0.77  molprobity     1  True   
346  346  mt-30    -62.6  -25.1  Favored   8   9  0.90  12  0.76  molprobity     1  True   
347  347  ?        -63.5  -72.7  Allowed   3   4  0.74   5  0.85  molprobity     1  True   
348  348  OUTLIER  -62.0  -34.4  Favored  11   8  0.38  11  1.02  molprobity     1  True   
349  349  t-80     -60.8  -58.4  Favored   7  11  1.06  15  0.91  molprobity     1  True   
350  350  tt0      -64.4  -41.0  Favored   6   9  1.26  12  0.68  molprobity     1  True   
351  351  ?        -51.4  -65.2  Allowed   5   5  0.52   7  0.67  molprobity     1  True   
352  352  pt       -54.1  -34.3  Favored  11   8  0.43  11  0.73  molprobity     1  True   
353  353  OUTLIER  -73.3  -34.8  Favored  13   9  0.67  11  0.63  molprobity     1  True   
354  354  mt       -72.0  -53.7  Favored  11   8  0.52  11  0.98  molprobity     1  True   
355  355  tp       -57.2  -43.9  Favored  11   8  0.34  11  0.72  molprobity     1  True   
356  356  m-20     -64.4  -42.3  Favored   6   8  0.55  11  1.02  molprobity     1  True   
357  357  t30      -74.3  -22.7  Favored   6   8  0.39  11  1.07  molprobity     1  True   
358  358  t-80     -78.0  -49.5  Favored   7  11  1.15  15  1.01  molprobity     1  True   
359  359  m        -79.2   -4.0  Favored   9   7  0.48  10  0.80  molprobity     1  True   
360  360  tm0?         ?      ?  ?         8   7  0.86   8  1.76  molprobity     1  True   
361  361  ?            ?      ?  ?         5   4  0.64   5  0.81  molprobity     ?  False  
362  362  mm?      -50.1  164.0  Allowed  11   8  0.48  11  1.25  molprobity     ?  False  
363  363  m120     -52.4  -32.2  Favored   6   8  0.73  11  0.70  molprobity     1  True   
364  364  ?        -52.4  -66.8  Allowed   5   5  0.57   7  1.06  molprobity     1  True   
365  365  OUTLIER  -54.0  -43.9  Favored  11   8  0.55  11  0.88  molprobity     1  True   
366  366  mmmp?    -63.1  -39.0  Favored  13   9  0.63  11  1.53  molprobity     1  True   
367  367  mtmt     -56.1  -70.5  Allowed  13   9  0.85  11  0.99  molprobity     1  True   
368  368  p        -47.2  -45.2  Favored   9   7  0.67  10  1.52  molprobity     1  True   
369  369  t80      -56.9  -60.4  Favored   9  12  0.56  16  0.82  molprobity     1  True   
370  370  mm-40    -65.3  -20.2  Favored   8   9  0.88  12  0.78  molprobity     1  True   
371  371  ?        -63.4  -74.8  Allowed   3   4  0.77   5  1.02  molprobity     1  True   
372  372  OUTLIER  -58.2  -39.7  Favored  11   8  0.42  11  1.11  molprobity     1  True   
373  373  t-160    -59.1  -55.0  Favored   7  11  1.36  15  0.80  molprobity     1  True   
374  374  tt0      -66.3  -41.6  Favored   6   9  1.16  12  0.92  molprobity     1  True   
375  375  ?        -48.9  -68.0  Allowed   5   5  0.44   7  0.50  molprobity     1  True   
376  376  pt       -53.5  -31.7  Favored  11   8  0.41  11  0.74  molprobity     1  True   
377  377  OUTLIER  -74.4  -43.2  Favored  13   9  0.69  11  1.43  molprobity     1  True   
378  378  mt       -66.9  -49.6  Favored  11   8  0.54  11  0.98  molprobity     1  True   
379  379  tt       -57.9  -47.4  Favored  11   8  0.36  11  0.63  molprobity     1  True   
380  380  m-20     -68.2  -25.5  Favored   6   8  0.83  11  0.89  molprobity     1  True   
381  381  t-20     -87.9  -23.9  Favored   6   8  0.64  11  0.72  molprobity     1  True   
382  382  t-80     -78.5  -40.7  Favored   7  11  1.38  15  1.04  molprobity     1  True   
383  383  m        -86.2   -3.6  Favored   9   7  0.46  10  0.83  molprobity     1  True   
384  384  OUTLIER      ?      ?  ?         8   7  0.81   8  0.90  molprobity     1  True   
385  385  ?            ?      ?  ?         5   4  1.24   5  1.08  molprobity     ?  False  
386  386  mt       -57.7  -51.5  Favored  11   8  0.60  11  1.00  molprobity     ?  False  
387  387  m120     -70.3   -7.7  Favored   6   8  0.55  11  0.85  molprobity     1  True   
388  388  ?        -78.2  -51.2  Favored   5   5  0.46   7  1.21  molprobity     1  True   
389  389  tt       -61.3  -47.0  Favored  11   8  0.53  11  0.85  molprobity     1  True   
390  390  OUTLIER  -59.7  -41.0  Favored  13   9  0.95  11  1.55  molprobity     1  True   
391  391  mtmm     -56.7  -61.6  Favored  13   9  0.65  11  0.61  molprobity     1  True   
392  392  p        -51.0  -48.2  Favored   9   7  0.60  10  1.68  molprobity     1  True   
393  393  t80      -51.5  -62.4  Allowed   9  12  0.60  16  0.56  molprobity     1  True   
394  394  mm100    -61.9  -31.5  Favored   8   9  1.09  12  0.66  molprobity     1  True   
395  395  ?        -54.0  -79.1  OUTLIER   3   4  0.84   5  0.86  molprobity     1  True   
396  396  OUTLIER  -55.0  -38.4  Favored  11   8  0.44  11  1.05  molprobity     1  True   
397  397  t-80     -58.0  -64.2  Allowed   7  11  1.07  15  0.57  molprobity     1  True   
398  398  tt0      -57.7  -39.2  Favored   6   9  1.19  12  0.66  molprobity     1  True   
399  399  ?        -55.6  -66.5  Allowed   5   5  0.60   7  0.99  molprobity     1  True   
400  400  pt       -53.5  -30.6  Favored  11   8  0.33  11  0.75  molprobity     1  True   
401  401  mmpt?    -71.5  -46.2  Favored  13   9  0.62  11  0.51  molprobity     1  True   
402  402  mt       -65.4  -46.9  Favored  11   8  0.50  11  0.90  molprobity     1  True   
403  403  tt       -61.5  -41.2  Favored  11   8  0.38  11  0.54  molprobity     1  True   
404  404  OUTLIER  -57.8  -54.6  Favored   6   8  0.60  11  0.97  molprobity     1  True   
405  405  t30      -66.4  -30.3  Favored   6   8  0.65  11  0.71  molprobity     1  True   
406  406  t-160    -71.7  -48.4  Favored   7  11  1.09  15  1.05  molprobity     1  True   
407  407  m        -74.5  -27.4  Favored   9   7  0.51  10  0.82  molprobity     1  True   
408  408  tp60         ?      ?  ?         8   7  0.47   8  1.08  molprobity     1  True   
409  409  ?            ?      ?  ?         5   4  0.40   5  1.99  molprobity     ?  False  
410  410  OUTLIER  -63.1  168.6  Favored  11   8  0.46  11  0.58  molprobity     ?  False  
411  411  m120     -83.0  -23.7  Favored   6   8  0.61  11  0.99  molprobity     1  True   
412  412  ?        -60.5  -64.3  Allowed   5   5  0.56   7  1.00  molprobity     1  True   
413  413  tt       -53.1  -44.5  Favored  11   8  0.53  11  0.97  molprobity     1  True   
414  414  mmtp     -59.5  -42.3  Favored  13   9  0.64  11  0.84  molprobity     1  True   
415  415  ttmt     -59.0  -60.6  Favored  13   9  0.69  11  1.23  molprobity     1  True   
416  416  p        -55.2  -43.4  Favored   9   7  0.47  10  1.08  molprobity     1  True   
417  417  t80      -55.8  -54.5  Favored   9  12  0.56  16  0.73  molprobity     1  True   
418  418  pt20     -68.9  -26.0  Favored   8   9  0.90  12  1.51  molprobity     1  True   
419  419  ?        -61.9  -78.3  Allowed   3   4  0.64   5  0.96  molprobity     1  True   
420  420  OUTLIER  -57.7  -35.5  Favored  11   8  0.46  11  1.01  molprobity     1  True   
421  421  t60      -59.8  -60.4  Favored   7  11  1.19  15  0.87  molprobity     1  True   
422  422  tm-20    -59.1  -48.6  Favored   6   9  1.03  12  0.69  molprobity     1  True   
423  423  ?        -47.0  -61.8  Allowed   5   5  0.63   7  0.72  molprobity     1  True   
424  424  pt       -58.2  -31.8  Favored  11   8  0.38  11  0.63  molprobity     1  True   
425  425  OUTLIER  -70.8  -37.5  Favored  13   9  0.74  11  0.51  molprobity     1  True   
426  426  tp       -72.5  -48.3  Favored  11   8  0.43  11  0.99  molprobity     1  True   
427  427  tt       -61.9  -46.9  Favored  11   8  0.39  11  0.57  molprobity     1  True   
428  428  m-20     -64.6  -42.4  Favored   6   8  0.46  11  1.19  molprobity     1  True   
429  429  t-20     -68.3  -41.4  Favored   6   8  0.65  11  0.83  molprobity     1  True   
430  430  t-80     -60.2  -53.8  Favored   7  11  1.19  15  0.55  molprobity     1  True   
431  431  m        -73.2   -8.6  Favored   9   7  0.57  10  0.76  molprobity     1  True   
432  432  tt0          ?      ?  ?         8   7  0.76   8  0.74  molprobity     1  True   
433  433  ?            ?      ?  ?         5   4  0.89   5  0.49  molprobity     ?  False  
434  434  tp       -43.3  -65.4  Allowed  11   8  0.66  11  0.98  molprobity     ?  False  
435  435  m120     -63.9  -16.3  Favored   6   8  0.77  11  0.53  molprobity     1  True   
436  436  ?        -69.6  -60.0  Favored   5   5  0.54   7  1.25  molprobity     1  True   
437  437  tt       -55.8  -46.2  Favored  11   8  0.55  11  0.94  molprobity     1  True   
438  438  mmmm     -58.8  -45.3  Favored  13   9  0.89  11  1.14  molprobity     1  True   
439  439  ttpt     -55.2  -59.2  Favored  13   9  0.75  11  1.07  molprobity     1  True   
440  440  p        -56.2  -44.3  Favored   9   7  0.72  10  1.97  molprobity     1  True   
441  441  t80      -55.3  -56.0  Favored   9  12  0.57  16  0.52  molprobity     1  True   
442  442  pt20     -65.0  -32.1  Favored   8   9  0.80  12  1.24  molprobity     1  True   
443  443  ?        -57.2  -75.8  Allowed   3   4  0.86   5  0.64  molprobity     1  True   
444  444  OUTLIER  -60.3  -33.1  Favored  11   8  0.46  11  0.96  molprobity     1  True   
445  445  t60      -59.2  -65.6  Allowed   7  11  1.14  15  0.97  molprobity     1  True   
446  446  tt0      -60.3  -36.9  Favored   6   9  1.19  12  0.75  molprobity     1  True   
447  447  ?        -55.0  -68.1  Allowed   5   5  0.55   7  0.59  molprobity     1  True   
448  448  pt       -55.0  -28.9  Favored  11   8  0.49  11  0.89  molprobity     1  True   
449  449  OUTLIER  -73.8  -38.6  Favored  13   9  0.69  11  0.41  molprobity     1  True   
450  450  mt       -74.1  -47.9  Favored  11   8  0.48  11  0.90  molprobity     1  True   
451  451  tt       -59.6  -45.5  Favored  11   8  0.39  11  0.68  molprobity     1  True   
452  452  m-20     -65.9  -43.6  Favored   6   8  0.48  11  1.10  molprobity     1  True   
453  453  t30      -67.7  -28.1  Favored   6   8  0.59  11  0.80  molprobity     1  True   
454  454  t-160    -76.6  -52.5  Favored   7  11  1.12  15  0.82  molprobity     1  True   
455  455  m        -70.3  -12.3  Favored   9   7  0.50  10  0.67  molprobity     1  True   
456  456  tp60         ?      ?  ?         8   7  0.66   8  1.22  molprobity     1  True   
457  457  ?            ?      ?  ?         5   4  0.88   5  0.68  molprobity     ?  False  
458  458  tp       -61.6  -50.6  Favored  11   8  0.42  11  0.90  molprobity     ?  False  
459  459  t-20     -78.2  -10.5  Favored   6   8  0.73  11  0.93  molprobity     1  True   
460  460  ?        -54.0  -56.5  Favored   5   5  0.60   7  1.29  molprobity     1  True   
461  461  OUTLIER  -56.8  -47.0  Favored  11   8  0.57  11  0.89  molprobity     1  True   
462  462  mppt?    -56.8  -50.1  Favored  13   9  0.74  11  1.12  molprobity     1  True   
463  463  ttpt     -46.8  -64.2  Allowed  13   9  0.76  11  0.87  molprobity     1  True   
464  464  p        -54.5  -44.3  Favored   9   7  0.70  10  1.78  molprobity     1  True   
465  465  t80      -54.7  -63.4  Allowed   9  12  0.55  16  0.53  molprobity     1  True   
466  466  mt-30    -56.5  -35.5  Favored   8   9  0.93  12  0.86  molprobity     1  True   
467  467  ?        -53.1  -78.6  Allowed   3   4  0.81   5  0.78  molprobity     1  True   
468  468  OUTLIER  -58.8  -36.5  Favored  11   8  0.48  11  1.10  molprobity     1  True   
469  469  t60      -56.6  -66.3  Allowed   7  11  1.11  15  0.71  molprobity     1  True   
470  470  tt0      -55.1  -41.0  Favored   6   9  1.16  12  0.77  molprobity     1  True   
471  471  ?        -54.3  -65.2  Allowed   5   5  0.51   7  0.58  molprobity     1  True   
472  472  pt       -55.2  -31.4  Favored  11   8  0.52  11  0.85  molprobity     1  True   
473  473  mmpt?    -70.8  -40.3  Favored  13   9  0.59  11  0.68  molprobity     1  True   
474  474  mt       -72.3  -52.2  Favored  11   8  0.45  11  1.01  molprobity     1  True   
475  475  tt       -56.3  -43.0  Favored  11   8  0.36  11  0.65  molprobity     1  True   
476  476  m-20     -66.9  -42.4  Favored   6   8  0.48  11  1.09  molprobity     1  True   
477  477  t-20     -71.6  -25.3  Favored   6   8  0.61  11  0.78  molprobity     1  True   
478  478  m170     -78.9  -48.5  Favored   7  11  1.19  15  0.95  molprobity     1  True   
479  479  m        -72.7  -17.5  Favored   9   7  0.50  10  0.58  molprobity     1  True   
480  480  mm-40        ?      ?  ?         8   7  0.50   8  0.95  molprobity     1  True   
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  outlier  ?     
 3  1        ?     
 4  2        ?     
 5  1        ?     
 6  2        ?     
 7  2        True  
 8  2        ?     
 9  1        ?     
10  1        ?     
11  4        ?     
12  3        ?     
13  2        ?     
14  3        True  
15  1        True  
16  2        ?     
17  4        True  
18  1        ?     
19  1        ?     
20  outlier  ?     
#
_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  22
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.080
_pdbx_vrpt_cyrange_domain.medoid_model        7
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.122
_pdbx_vrpt_cyrange_domain.residue_string      A:3-A:24
#
_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           163
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           163
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            163
_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  LEU   2  0.080  
 2  A  ASN   3  0.070  
 3  A  ALA   4  0.066  
 4  A  LEU   5  0.070  
 5  A  LYS   6  0.136  
 6  A  LYS   7  0.190  
 7  A  VAL   8  0.240  
 8  A  PHE   9  0.189  
 9  A  GLN  10  0.125  
10  A  GLY  11  0.058  
11  A  ILE  12  0.037  
12  A  HIS  13  0.037  
13  A  GLU  14  0.035  
14  A  ALA  15  0.034  
15  A  ILE  16  0.028  
16  A  LYS  17  0.027  
17  A  LEU  18  0.027  
18  A  ILE  19  0.030  
19  A  ASN  20  0.032  
20  A  ASN  21  0.036  
21  A  HIS  22  0.038  
22  A  VAL  23  0.040  
#
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    4    4  stereomethyl  stereomethyl  
 2  157  167  324  overall       Total         
 3   43   68  111  backbone      Total         
 4  108   81  189  sidechain     Total         
 5    6   18   24  aromatic      Total         
 6  157   24  181  overall       H             
 7   43    2   45  backbone      H             
 8  108   15  123  sidechain     H             
 9    6    7   13  aromatic      H             
10    0  111  111  overall       C             
11    0   44   44  backbone      C             
12    0   58   58  sidechain     C             
13    0    9    9  aromatic      C             
14    0   32   32  overall       N             
15    0   22   22  backbone      N             
16    0    8    8  sidechain     N             
17    0    2    2  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    5    5  stereomethyl  stereomethyl  
 2  163  185  348  overall       Total         
 3   46   76  122  backbone      Total         
 4  111   91  202  sidechain     Total         
 5    6   18   24  aromatic      Total         
 6  163   32  195  overall       H             
 7   46    4   50  backbone      H             
 8  111   21  132  sidechain     H             
 9    6    7   13  aromatic      H             
10    0  119  119  overall       C             
11    0   48   48  backbone      C             
12    0   62   62  sidechain     C             
13    0    9    9  aromatic      C             
14    0   34   34  overall       N             
15    0   24   24  backbone      N             
16    0    8    8  sidechain     N             
17    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"                    210  
 2  "Intra-residue (|i-j|=0)"                       89  
 3  "Sequential (|i-j|=1)"                          78  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            43  
 5  "Long range (|i-j|>=5)"                          0  
 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"             8.8  
12  "Number of long range restraints per residue"  0.0  
#
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                  89   42.4  0  0.0  0.0   7   3.3   7.9  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0   0   0.0   0.0  
 3  Intra-residue  BackboneSidechain    77   36.7  0  0.0  0.0   7   3.3   9.1  
 4  Intra-residue  SidechainSidechain   12    5.7  0  0.0  0.0   0   0.0   0.0  
 5  Sequential     all                  78   37.1  0  0.0  0.0  12   5.7  15.4  
 6  Sequential     BackboneBackbone     20    9.5  0  0.0  0.0   2   1.0  10.0  
 7  Sequential     BackboneSidechain    43   20.5  0  0.0  0.0   8   3.8  18.6  
 8  Sequential     SidechainSidechain   15    7.1  0  0.0  0.0   2   1.0  13.3  
 9  MediumRange    all                  43   20.5  0  0.0  0.0   9   4.3  20.9  
10  MediumRange    BackboneBackbone     10    4.8  0  0.0  0.0   0   0.0   0.0  
11  MediumRange    BackboneSidechain    27   12.9  0  0.0  0.0   7   3.3  25.9  
12  MediumRange    SidechainSidechain    6    2.9  0  0.0  0.0   2   1.0  33.3  
13  LongRange      all                   0    0.0  0  0.0  0.0   0   0.0   0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0   0   0.0   0.0  
15  LongRange      BackboneSidechain     0    0.0  0  0.0  0.0   0   0.0   0.0  
16  LongRange      SidechainSidechain    0    0.0  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                 210  100.0  0  0.0  0.0  28  13.3  13.3  
24  Total          BackboneBackbone     30   14.3  0  0.0  0.0   2   1.0   6.7  
25  Total          BackboneSidechain   147   70.0  0  0.0  0.0  22  10.5  15.0  
26  Total          SidechainSidechain   33   15.7  0  0.0  0.0   4   1.9  12.1  
#
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  0.29  0.20  0.18  0.06  
 2   2  0.45  0.23  0.20  0.13  
 3   3  2.60  0.53  0.16  0.79  
 4   4  2.56  0.60  0.25  0.77  
 5   5  0.23  0.16  0.15  0.03  
 6   6  2.29  0.47  0.16  0.69  
 7   7  0.21  0.17  0.17  0.02  
 8   8  0.31  0.18  0.16  0.06  
 9   9  0.19  0.16  0.16  0.02  
10  10  0.28  0.20  0.21  0.05  
11  11  0.29  0.17  0.14  0.07  
12  12  0.30  0.21  0.20  0.07  
13  13  0.17  0.15  0.16  0.02  
14  14  0.20  0.15  0.15  0.03  
15  15  0.15  0.13  0.13  0.01  
16  16  0.23  0.15  0.15  0.04  
17  17  0.26  0.18  0.16  0.05  
18  18  2.30  0.53  0.16  0.74  
19  19  0.24  0.16  0.15  0.04  
20  20  0.32  0.19  0.15  0.07  
#
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     5  
  3   1  medium         5  
  4   1  long           0  
  5   1  interchain     0  
  6   1  total         10  
  7   2  intraresidue   1  
  8   2  sequential     5  
  9   2  medium         1  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total          7  
 13   3  intraresidue   1  
 14   3  sequential     5  
 15   3  medium         4  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total         10  
 19   4  intraresidue   2  
 20   4  sequential     5  
 21   4  medium         2  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total          9  
 25   5  intraresidue   0  
 26   5  sequential     3  
 27   5  medium         6  
 28   5  long           0  
 29   5  interchain     0  
 30   5  total          9  
 31   6  intraresidue   2  
 32   6  sequential     6  
 33   6  medium         2  
 34   6  long           0  
 35   6  interchain     0  
 36   6  total         10  
 37   7  intraresidue   0  
 38   7  sequential     4  
 39   7  medium         2  
 40   7  long           0  
 41   7  interchain     0  
 42   7  total          6  
 43   8  intraresidue   0  
 44   8  sequential     6  
 45   8  medium         4  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total         10  
 49   9  intraresidue   0  
 50   9  sequential     3  
 51   9  medium         1  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total          4  
 55  10  intraresidue   0  
 56  10  sequential     4  
 57  10  medium         2  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          6  
 61  11  intraresidue   0  
 62  11  sequential     2  
 63  11  medium         2  
 64  11  long           0  
 65  11  interchain     0  
 66  11  total          4  
 67  12  intraresidue   1  
 68  12  sequential     3  
 69  12  medium         2  
 70  12  long           0  
 71  12  interchain     0  
 72  12  total          6  
 73  13  intraresidue   0  
 74  13  sequential     2  
 75  13  medium         3  
 76  13  long           0  
 77  13  interchain     0  
 78  13  total          5  
 79  14  intraresidue   1  
 80  14  sequential     5  
 81  14  medium         4  
 82  14  long           0  
 83  14  interchain     0  
 84  14  total         10  
 85  15  intraresidue   1  
 86  15  sequential     2  
 87  15  medium         2  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total          5  
 91  16  intraresidue   0  
 92  16  sequential     5  
 93  16  medium         2  
 94  16  long           0  
 95  16  interchain     0  
 96  16  total          7  
 97  17  intraresidue   0  
 98  17  sequential     3  
 99  17  medium         2  
100  17  long           0  
101  17  interchain     0  
102  17  total          5  
103  18  intraresidue   1  
104  18  sequential     5  
105  18  medium         3  
106  18  long           0  
107  18  interchain     0  
108  18  total          9  
109  19  intraresidue   1  
110  19  sequential     4  
111  19  medium         2  
112  19  long           0  
113  19  interchain     0  
114  19  total          7  
115  20  intraresidue   0  
116  20  sequential     2  
117  20  medium         3  
118  20  long           0  
119  20  interchain     0  
120  20  total          5  
#
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   5  
  2   1  sequential     3  
  3   1  medium         2  
  4   1  long           0  
  5   1  interchain     0  
  6   1  total         10  
  7   2  intraresidue   1  
  8   2  sequential     0  
  9   2  medium         0  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total          1  
 13   3  intraresidue   0  
 14   3  sequential     1  
 15   3  medium         1  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total          2  
 19   4  intraresidue   1  
 20   4  sequential     2  
 21   4  medium         1  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total          4  
 25   5  intraresidue   0  
 26   5  sequential     0  
 27   5  medium         2  
 28   5  long           0  
 29   5  interchain     0  
 30   5  total          2  
 31   6  intraresidue   0  
 32   6  sequential     1  
 33   6  medium         0  
 34   6  long           0  
 35   6  interchain     0  
 36   6  total          1  
 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         1  
 46   8  long           0  
 47   8  interchain     0  
 48   8  total          1  
 49   9  intraresidue   0  
 50   9  sequential     2  
 51   9  medium         1  
 52   9  long           0  
 53   9  interchain     0  
 54   9  total          3  
 55  10  intraresidue   0  
 56  10  sequential     1  
 57  10  medium         0  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total          1  
 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     1  
 81  14  medium         0  
 82  14  long           0  
 83  14  interchain     0  
 84  14  total          1  
 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     1  
 99  17  medium         0  
100  17  long           0  
101  17  interchain     0  
102  17  total          1  
103  18  intraresidue   0  
104  18  sequential     0  
105  18  medium         1  
106  18  long           0  
107  18  interchain     0  
108  18  total          1  
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_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  5.3  
2  0.2-0.5  0.5  1.5  
3  >0.5     2.6  0.4  
#
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  103  1  .  A  12  ILE  ?     1  A  12  H     A  .  16  ILE  16  A  1  ?     HG21  18  0.16  0.16  0.03  
 2  103  1  .  A  12  ILE  ?     1  A  12  H     A  .  16  ILE  16  A  1  ?     HG22  18  0.16  0.16  0.03  
 3  103  1  .  A  12  ILE  ?     1  A  12  H     A  .  16  ILE  16  A  1  ?     HG23  18  0.16  0.16  0.03  
 4  113  1  .  A  11  GLY  ?     1  A  11  H     A  .  12  ILE  12  A  1  ?     HG21  17  0.22  0.20  0.07  
 5  113  1  .  A  11  GLY  ?     1  A  11  H     A  .  12  ILE  12  A  1  ?     HG22  17  0.22  0.20  0.07  
 6  113  1  .  A  11  GLY  ?     1  A  11  H     A  .  12  ILE  12  A  1  ?     HG23  17  0.22  0.20  0.07  
 7   99  1  .  A   3  ASN  ?     1  A   3  H     A  .   4  ALA   4  A  1  ?     HA    14  0.23  0.23  0.06  
 8  110  1  .  A  19  ILE  ?     1  A  19  H     A  .  20  ASN  20  A  1  ?     HA    10  0.14  0.13  0.02  
 9   61  1  .  A   3  ASN  ?     1  A   3  H     A  .   4  ALA   4  A  1  ?     HB1    9  0.20  0.19  0.05  
10   61  1  .  A   3  ASN  ?     1  A   3  H     A  .   4  ALA   4  A  1  ?     HB2    9  0.20  0.19  0.05  
11   61  1  .  A   3  ASN  ?     1  A   3  H     A  .   4  ALA   4  A  1  ?     HB3    9  0.20  0.19  0.05  
12  120  1  .  A   5  LEU  ?     1  A   5  H     A  .   6  LYS   6  A  1  ?     HD2    9  0.20  0.18  0.07  
13  120  1  .  A   5  LEU  ?     1  A   5  H     A  .   6  LYS   6  A  1  ?     HD3    9  0.20  0.18  0.07  
14   71  1  .  A   6  LYS  ?     1  A   6  HA    A  .   8  VAL   8  A  1  ?     HG11   9  0.14  0.13  0.03  
15   71  1  .  A   6  LYS  ?     1  A   6  HA    A  .   8  VAL   8  A  1  ?     HG12   9  0.14  0.13  0.03  
16   71  1  .  A   6  LYS  ?     1  A   6  HA    A  .   8  VAL   8  A  1  ?     HG13   9  0.14  0.13  0.03  
17  182  1  .  A  17  LYS  ?     1  A  17  H     A  .  20  ASN  20  A  1  ?     HB2    8  0.13  0.12  0.02  
18  140  1  .  A  17  LYS  ?     1  A  17  HB2   A  .  18  LEU  18  A  1  ?     HA     6  0.17  0.18  0.05  
19  140  1  .  A  17  LYS  ?     1  A  17  HB3   A  .  18  LEU  18  A  1  ?     HA     6  0.17  0.18  0.05  
20  164  1  .  A   4  ALA  ?     1  A   4  H     A  .   6  LYS   6  A  1  ?     HB2    5  0.15  0.15  0.02  
21  164  1  .  A   4  ALA  ?     1  A   4  H     A  .   6  LYS   6  A  1  ?     HB3    5  0.15  0.15  0.02  
22  149  1  .  A  17  LYS  ?     1  A  17  HE2   A  .  19  ILE  19  A  1  ?     HG21   5  0.13  0.14  0.01  
23  149  1  .  A  17  LYS  ?     1  A  17  HE2   A  .  19  ILE  19  A  1  ?     HG22   5  0.13  0.14  0.01  
24  149  1  .  A  17  LYS  ?     1  A  17  HE2   A  .  19  ILE  19  A  1  ?     HG23   5  0.13  0.14  0.01  
25  149  1  .  A  17  LYS  ?     1  A  17  HE3   A  .  19  ILE  19  A  1  ?     HG21   5  0.13  0.14  0.01  
26  149  1  .  A  17  LYS  ?     1  A  17  HE3   A  .  19  ILE  19  A  1  ?     HG22   5  0.13  0.14  0.01  
27  149  1  .  A  17  LYS  ?     1  A  17  HE3   A  .  19  ILE  19  A  1  ?     HG23   5  0.13  0.14  0.01  
28   98  1  .  A  17  LYS  ?     1  A  17  HB2   A  .  18  LEU  18  A  1  ?     HG     4  2.44  2.43  0.14  
29   98  1  .  A  17  LYS  ?     1  A  17  HB3   A  .  18  LEU  18  A  1  ?     HG     4  2.44  2.43  0.14  
30   97  1  .  A  17  LYS  ?     1  A  17  H     A  .  18  LEU  18  A  1  ?     HG     4  1.34  1.34  0.07  
31  160  1  .  A  14  GLU  ?     1  A  14  H     A  .  14  GLU  14  A  1  ?     HG2    4  0.15  0.14  0.03  
32  160  1  .  A  14  GLU  ?     1  A  14  H     A  .  14  GLU  14  A  1  ?     HG3    4  0.15  0.14  0.03  
33  145  1  .  A   5  LEU  ?     1  A   5  HA    A  .   8  VAL   8  A  1  ?     HB     4  0.11  0.11  0.00  
34  137  1  .  A   4  ALA  ?     1  A   4  HB1   A  .   7  LYS   7  A  1  ?     HE2    3  0.18  0.18  0.05  
35  137  1  .  A   4  ALA  ?     1  A   4  HB1   A  .   7  LYS   7  A  1  ?     HE3    3  0.18  0.18  0.05  
36  137  1  .  A   4  ALA  ?     1  A   4  HB2   A  .   7  LYS   7  A  1  ?     HE2    3  0.18  0.18  0.05  
37  137  1  .  A   4  ALA  ?     1  A   4  HB2   A  .   7  LYS   7  A  1  ?     HE3    3  0.18  0.18  0.05  
38  137  1  .  A   4  ALA  ?     1  A   4  HB3   A  .   7  LYS   7  A  1  ?     HE2    3  0.18  0.18  0.05  
39  137  1  .  A   4  ALA  ?     1  A   4  HB3   A  .   7  LYS   7  A  1  ?     HE3    3  0.18  0.18  0.05  
40  189  1  .  A   5  LEU  ?     1  A   5  HD11  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
41  189  1  .  A   5  LEU  ?     1  A   5  HD12  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
42  189  1  .  A   5  LEU  ?     1  A   5  HD13  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
43  189  1  .  A   5  LEU  ?     1  A   5  HD21  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
44  189  1  .  A   5  LEU  ?     1  A   5  HD22  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
45  189  1  .  A   5  LEU  ?     1  A   5  HD23  A  .   6  LYS   6  A  1  ?     HA     3  0.15  0.15  0.00  
46  157  1  .  A  17  LYS  ?     1  A  17  H     A  .  17  LYS  17  A  1  ?     HE2    2  0.13  0.13  0.00  
47  157  1  .  A  17  LYS  ?     1  A  17  H     A  .  17  LYS  17  A  1  ?     HE3    2  0.13  0.13  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   98  1   65   66  HB2   HG    2.60  
  2   98  1   65   66  HB3   HG    2.60  
  3   98  1   89   90  HB2   HG    2.56  
  4   98  1   89   90  HB3   HG    2.56  
  5   98  1  425  426  HB2   HG    2.30  
  6   98  1  425  426  HB3   HG    2.30  
  7   98  1  137  138  HB2   HG    2.29  
  8   98  1  137  138  HB3   HG    2.29  
  9   97  1   65   66  H     HG    1.41  
 10   97  1  425  426  H     HG    1.40  
 11   97  1   89   90  H     HG    1.29  
 12   97  1  137  138  H     HG    1.26  
 13  199  1   40   41  HG12  HD2   0.45  
 14  199  1   40   41  HG12  HD3   0.45  
 15  199  1   40   41  HG13  HD2   0.45  
 16  199  1   40   41  HG13  HD3   0.45  
 17  113  1   35   36  H     HG21  0.39  
 18  113  1   35   36  H     HG22  0.39  
 19  113  1   35   36  H     HG23  0.39  
 20   99  1   75   76  H     HA    0.37  
 21  113  1  467  468  H     HG21  0.32  
 22  113  1  467  468  H     HG22  0.32  
 23  113  1  467  468  H     HG23  0.32  
 24  120  1  173  174  H     HD2   0.31  
 25  120  1  173  174  H     HD3   0.31  
 26  113  1  275  276  H     HG21  0.30  
 27  113  1  275  276  H     HG22  0.30  
 28  113  1  275  276  H     HG23  0.30  
 29   99  1  267  268  H     HA    0.29  
 30  120  1    5    6  H     HD2   0.29  
 31  120  1    5    6  H     HD3   0.29  
 32  113  1  251  252  H     HG21  0.29  
 33  113  1  251  252  H     HG22  0.29  
 34  113  1  251  252  H     HG23  0.29  
 35   61  1  219  220  H     HB1   0.28  
 36   61  1  219  220  H     HB2   0.28  
 37   61  1  219  220  H     HB3   0.28  
 38   61  1   75   76  H     HB1   0.27  
 39   61  1   75   76  H     HB2   0.27  
 40   61  1   75   76  H     HB3   0.27  
 41   99  1    3    4  H     HA    0.26  
 42   99  1  171  172  H     HA    0.26  
 43  113  1  395  396  H     HG21  0.26  
 44  113  1  395  396  H     HG22  0.26  
 45  113  1  395  396  H     HG23  0.26  
 46  113  1   11   12  H     HG21  0.25  
 47  113  1   11   12  H     HG22  0.25  
 48  113  1   11   12  H     HG23  0.25  
 49  113  1   83   84  H     HG21  0.25  
 50  113  1   83   84  H     HG22  0.25  
 51  113  1   83   84  H     HG23  0.25  
 52   99  1   51   52  H     HA    0.24  
 53   99  1  219  220  H     HA    0.24  
 54  137  1   52   55  HB1   HE2   0.24  
 55  137  1   52   55  HB1   HE3   0.24  
 56  137  1   52   55  HB2   HE2   0.24  
 57  137  1   52   55  HB2   HE3   0.24  
 58  137  1   52   55  HB3   HE2   0.24  
 59  137  1   52   55  HB3   HE3   0.24  
 60  113  1  443  444  H     HG21  0.24  
 61  113  1  443  444  H     HG22  0.24  
 62  113  1  443  444  H     HG23  0.24  
 63   99  1   99  100  H     HA    0.23  
 64   99  1  363  364  H     HA    0.23  
 65   61  1    3    4  H     HB1   0.23  
 66   61  1    3    4  H     HB2   0.23  
 67   61  1    3    4  H     HB3   0.23  
 68  120  1  269  270  H     HD2   0.23  
 69  120  1  269  270  H     HD3   0.23  
 70  103  1  468  472  H     HG21  0.23  
 71  103  1  468  472  H     HG22  0.23  
 72  103  1  468  472  H     HG23  0.23  
 73  140  1  185  186  HB2   HA    0.22  
 74  140  1  185  186  HB3   HA    0.22  
 75  140  1  233  234  HB2   HA    0.22  
 76  140  1  233  234  HB3   HA    0.22  
 77  120  1  413  414  H     HD2   0.22  
 78  120  1  413  414  H     HD3   0.22  
 79   99  1  147  148  H     HA    0.21  
 80  175  1   40   40  H     HD11  0.21  
 81  175  1   40   40  H     HD12  0.21  
 82  175  1   40   40  H     HD13  0.21  
 83   99  1   27   28  H     HA    0.20  
 84   99  1  315  316  H     HA    0.20  
 85  160  1   86   86  H     HG2   0.20  
 86  160  1   86   86  H     HG3   0.20  
 87  113  1  227  228  H     HG21  0.20  
 88  113  1  227  228  H     HG22  0.20  
 89  113  1  227  228  H     HG23  0.20  
 90   71  1  102  104  HA    HG11  0.19  
 91   71  1  102  104  HA    HG12  0.19  
 92   71  1  102  104  HA    HG13  0.19  
 93   61  1   51   52  H     HB1   0.19  
 94   61  1   51   52  H     HB2   0.19  
 95   61  1   51   52  H     HB3   0.19  
 96   61  1  387  388  H     HB1   0.19  
 97   61  1  387  388  H     HB2   0.19  
 98   61  1  387  388  H     HB3   0.19  
 99  140  1  209  210  HB2   HA    0.19  
100  140  1  209  210  HB3   HA    0.19  
101  113  1  323  324  H     HG21  0.19  
102  113  1  323  324  H     HG22  0.19  
103  113  1  323  324  H     HG23  0.19  
104  113  1  419  420  H     HG21  0.19  
105  113  1  419  420  H     HG22  0.19  
106  113  1  419  420  H     HG23  0.19  
107  103  1  156  160  H     HG21  0.19  
108  103  1  156  160  H     HG22  0.19  
109  103  1  156  160  H     HG23  0.19  
110   71  1  126  128  HA    HG11  0.18  
111   71  1  126  128  HA    HG12  0.18  
112   71  1  126  128  HA    HG13  0.18  
113   61  1  171  172  H     HB1   0.18  
114   61  1  171  172  H     HB2   0.18  
115   61  1  171  172  H     HB3   0.18  
116  137  1  316  319  HB1   HE2   0.18  
117  137  1  316  319  HB1   HE3   0.18  
118  137  1  316  319  HB2   HE2   0.18  
119  137  1  316  319  HB2   HE3   0.18  
120  137  1  316  319  HB3   HE2   0.18  
121  137  1  316  319  HB3   HE3   0.18  
122  120  1  365  366  H     HD2   0.18  
123  120  1  365  366  H     HD3   0.18  
124  110  1   19   20  H     HA    0.18  
125  103  1  108  112  H     HG21  0.18  
126  103  1  108  112  H     HG22  0.18  
127  103  1  108  112  H     HG23  0.18  
128  103  1  132  136  H     HG21  0.18  
129  103  1  132  136  H     HG22  0.18  
130  103  1  132  136  H     HG23  0.18  
131  103  1  276  280  H     HG21  0.18  
132  103  1  276  280  H     HG22  0.18  
133  103  1  276  280  H     HG23  0.18  
134   61  1  435  436  H     HB1   0.17  
135   61  1  435  436  H     HB2   0.17  
136   61  1  435  436  H     HB3   0.17  
137    4  1   79   79  H     HE2   0.17  
138    4  1   79   79  H     HE3   0.17  
139  182  1   17   20  H     HB2   0.17  
140  164  1  100  102  H     HB2   0.17  
141  164  1  100  102  H     HB3   0.17  
142  140  1  305  306  HB2   HA    0.17  
143  140  1  305  306  HB3   HA    0.17  
144  117  1  142  142  HA    HD2   0.17  
145  113  1  155  156  H     HG21  0.17  
146  113  1  155  156  H     HG22  0.17  
147  113  1  155  156  H     HG23  0.17  
148  113  1  299  300  H     HG21  0.17  
149  113  1  299  300  H     HG22  0.17  
150  113  1  299  300  H     HG23  0.17  
151  110  1  163  164  H     HA    0.17  
152  103  1   12   16  H     HG21  0.17  
153  103  1   12   16  H     HG22  0.17  
154  103  1   12   16  H     HG23  0.17  
155  103  1  180  184  H     HG21  0.17  
156  103  1  180  184  H     HG22  0.17  
157  103  1  180  184  H     HG23  0.17  
158  103  1  228  232  H     HG21  0.17  
159  103  1  228  232  H     HG22  0.17  
160  103  1  228  232  H     HG23  0.17  
161   71  1  294  296  HA    HG11  0.16  
162   71  1  294  296  HA    HG12  0.16  
163   71  1  294  296  HA    HG13  0.16  
164   61  1  315  316  H     HB1   0.16  
165   61  1  315  316  H     HB2   0.16  
166   61  1  315  316  H     HB3   0.16  
167  164  1    4    6  H     HB2   0.16  
168  164  1    4    6  H     HB3   0.16  
169  113  1  203  204  H     HG21  0.16  
170  113  1  203  204  H     HG22  0.16  
171  113  1  203  204  H     HG23  0.16  
172  103  1  204  208  H     HG21  0.16  
173  103  1  204  208  H     HG22  0.16  
174  103  1  204  208  H     HG23  0.16  
175  103  1  396  400  H     HG21  0.16  
176  103  1  396  400  H     HG22  0.16  
177  103  1  396  400  H     HG23  0.16  
178  103  1  420  424  H     HG21  0.16  
179  103  1  420  424  H     HG22  0.16  
180  103  1  420  424  H     HG23  0.16  
181   99  1  243  244  H     HA    0.15  
182   99  1  435  436  H     HA    0.15  
183   91  1  434  434  H     HG    0.15  
184  189  1  125  126  HD11  HA    0.15  
185  189  1  125  126  HD12  HA    0.15  
186  189  1  125  126  HD13  HA    0.15  
187  189  1  125  126  HD21  HA    0.15  
188  189  1  125  126  HD22  HA    0.15  
189  189  1  125  126  HD23  HA    0.15  
190  189  1  365  366  HD11  HA    0.15  
191  189  1  365  366  HD12  HA    0.15  
192  189  1  365  366  HD13  HA    0.15  
193  189  1  365  366  HD21  HA    0.15  
194  189  1  365  366  HD22  HA    0.15  
195  189  1  365  366  HD23  HA    0.15  
196  164  1  460  462  H     HB2   0.15  
197  164  1  460  462  H     HB3   0.15  
198  149  1  353  355  HE2   HG21  0.15  
199  149  1  353  355  HE2   HG22  0.15  
200  149  1  353  355  HE2   HG23  0.15  
201  149  1  353  355  HE3   HG21  0.15  
202  149  1  353  355  HE3   HG22  0.15  
203  149  1  353  355  HE3   HG23  0.15  
204  120  1  149  150  H     HD2   0.15  
205  120  1  149  150  H     HD3   0.15  
206  120  1  437  438  H     HD2   0.15  
207  120  1  437  438  H     HD3   0.15  
208  110  1  115  116  H     HA    0.15  
209  110  1  379  380  H     HA    0.15  
210  103  1  300  304  H     HG21  0.15  
211  103  1  300  304  H     HG22  0.15  
212  103  1  300  304  H     HG23  0.15  
213  103  1  324  328  H     HG21  0.15  
214  103  1  324  328  H     HG22  0.15  
215  103  1  324  328  H     HG23  0.15  
216  103  1  444  448  H     HG21  0.15  
217  103  1  444  448  H     HG22  0.15  
218  103  1  444  448  H     HG23  0.15  
219   99  1  387  388  H     HA    0.14  
220   71  1   54   56  HA    HG11  0.14  
221   71  1   54   56  HA    HG12  0.14  
222   71  1   54   56  HA    HG13  0.14  
223  189  1  341  342  HD11  HA    0.14  
224  189  1  341  342  HD12  HA    0.14  
225  189  1  341  342  HD13  HA    0.14  
226  189  1  341  342  HD21  HA    0.14  
227  189  1  341  342  HD22  HA    0.14  
228  189  1  341  342  HD23  HA    0.14  
229  182  1  161  164  H     HB2   0.14  
230  164  1  172  174  H     HB2   0.14  
231  164  1  172  174  H     HB3   0.14  
232  160  1  422  422  H     HG2   0.14  
233  160  1  422  422  H     HG3   0.14  
234  149  1  281  283  HE2   HG21  0.14  
235  149  1  281  283  HE2   HG22  0.14  
236  149  1  281  283  HE2   HG23  0.14  
237  149  1  281  283  HE3   HG21  0.14  
238  149  1  281  283  HE3   HG22  0.14  
239  149  1  281  283  HE3   HG23  0.14  
240  149  1  329  331  HE2   HG21  0.14  
241  149  1  329  331  HE2   HG22  0.14  
242  149  1  329  331  HE2   HG23  0.14  
243  149  1  329  331  HE3   HG21  0.14  
244  149  1  329  331  HE3   HG22  0.14  
245  149  1  329  331  HE3   HG23  0.14  
246  113  1  179  180  H     HG21  0.14  
247  113  1  179  180  H     HG22  0.14  
248  113  1  179  180  H     HG23  0.14  
249   71  1   78   80  HA    HG11  0.13  
250   71  1   78   80  HA    HG12  0.13  
251   71  1   78   80  HA    HG13  0.13  
252   71  1  414  416  HA    HG11  0.13  
253   71  1  414  416  HA    HG12  0.13  
254   71  1  414  416  HA    HG13  0.13  
255  182  1  113  116  H     HB2   0.13  
256  182  1  473  476  H     HB2   0.13  
257  169  1  388  390  HB1   H     0.13  
258  169  1  388  390  HB2   H     0.13  
259  169  1  388  390  HB3   H     0.13  
260  160  1   62   62  H     HG2   0.13  
261  160  1   62   62  H     HG3   0.13  
262  157  1  281  281  H     HE2   0.13  
263  157  1  281  281  H     HE3   0.13  
264  157  1  353  353  H     HE2   0.13  
265  157  1  353  353  H     HE3   0.13  
266  141  1   99  102  HA    HG2   0.13  
267  141  1   99  102  HA    HG3   0.13  
268  120  1   29   30  H     HD2   0.13  
269  120  1   29   30  H     HD3   0.13  
270  113  1  107  108  H     HG21  0.13  
271  113  1  107  108  H     HG22  0.13  
272  113  1  107  108  H     HG23  0.13  
273  110  1  139  140  H     HA    0.13  
274  110  1  355  356  H     HA    0.13  
275  110  1  475  476  H     HA    0.13  
276  103  1   84   88  H     HG21  0.13  
277  103  1   84   88  H     HG22  0.13  
278  103  1   84   88  H     HG23  0.13  
279   94  1  319  319  H     HD2   0.12  
280   94  1  319  319  H     HD3   0.12  
281   71  1    6    8  HA    HG11  0.12  
282   71  1    6    8  HA    HG12  0.12  
283   71  1    6    8  HA    HG13  0.12  
284  182  1   65   68  H     HB2   0.12  
285  182  1  305  308  H     HB2   0.12  
286  174  1  334  335  H     HG21  0.12  
287  174  1  334  335  H     HG22  0.12  
288  174  1  334  335  H     HG23  0.12  
289  164  1  364  366  H     HB2   0.12  
290  164  1  364  366  H     HB3   0.12  
291  149  1  185  187  HE2   HG21  0.12  
292  149  1  185  187  HE2   HG22  0.12  
293  149  1  185  187  HE2   HG23  0.12  
294  149  1  185  187  HE3   HG21  0.12  
295  149  1  185  187  HE3   HG22  0.12  
296  149  1  185  187  HE3   HG23  0.12  
297  145  1  101  104  HA    HB    0.12  
298  138  1  131  132  HA2   HD11  0.12  
299  138  1  131  132  HA2   HD12  0.12  
300  138  1  131  132  HA2   HD13  0.12  
301  138  1  131  132  HA3   HD11  0.12  
302  138  1  131  132  HA3   HD12  0.12  
303  138  1  131  132  HA3   HD13  0.12  
304  137  1    4    7  HB1   HE2   0.12  
305  137  1    4    7  HB1   HE3   0.12  
306  137  1    4    7  HB2   HE2   0.12  
307  137  1    4    7  HB2   HE3   0.12  
308  137  1    4    7  HB3   HE2   0.12  
309  137  1    4    7  HB3   HE3   0.12  
310  120  1  317  318  H     HD2   0.12  
311  120  1  317  318  H     HD3   0.12  
312  110  1  211  212  H     HA    0.12  
313  110  1  427  428  H     HA    0.12  
314  103  1  252  256  H     HG21  0.12  
315  103  1  252  256  H     HG22  0.12  
316  103  1  252  256  H     HG23  0.12  
317  103  1  348  352  H     HG21  0.12  
318  103  1  348  352  H     HG22  0.12  
319  103  1  348  352  H     HG23  0.12  
320   71  1   30   32  HA    HG11  0.11  
321   71  1   30   32  HA    HG12  0.11  
322   71  1   30   32  HA    HG13  0.11  
323   71  1  318  320  HA    HG11  0.11  
324   71  1  318  320  HA    HG12  0.11  
325   71  1  318  320  HA    HG13  0.11  
326   61  1   27   28  H     HB1   0.11  
327   61  1   27   28  H     HB2   0.11  
328   61  1   27   28  H     HB3   0.11  
329  182  1  185  188  H     HB2   0.11  
330  182  1  425  428  H     HB2   0.11  
331  160  1  134  134  H     HG2   0.11  
332  160  1  134  134  H     HG3   0.11  
333  149  1  377  379  HE2   HG21  0.11  
334  149  1  377  379  HE2   HG22  0.11  
335  149  1  377  379  HE2   HG23  0.11  
336  149  1  377  379  HE3   HG21  0.11  
337  149  1  377  379  HE3   HG22  0.11  
338  149  1  377  379  HE3   HG23  0.11  
339  145  1  221  224  HA    HB    0.11  
340  145  1  245  248  HA    HB    0.11  
341  145  1  437  440  HA    HB    0.11  
342  140  1   65   66  HB2   HA    0.11  
343  140  1   65   66  HB3   HA    0.11  
344  140  1  377  378  HB2   HA    0.11  
345  140  1  377  378  HB3   HA    0.11  
346  113  1  131  132  H     HG21  0.11  
347  113  1  131  132  H     HG22  0.11  
348  113  1  131  132  H     HG23  0.11  
349  110  1  187  188  H     HA    0.11  
350  103  1   60   64  H     HG21  0.11  
351  103  1   60   64  H     HG22  0.11  
352  103  1   60   64  H     HG23  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  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  
##
