data_6X8R

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6X8R   
BMRB  30758  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6X8R
_pdbx_vrpt_summary.PDB_deposition_date         2020-06-01
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:17:47
_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  "SxIIIC peptide"
#
_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  59.09  158937  ?     ?     
2  2  1  67.41   12864  ?     ?     
3  1  2  19.69  154571  ?     ?     
4  2  2  67.63   11451  ?     ?     
5  1  3  70.04  154315  ?     ?     
6  2  3  95.50   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A  100.00  
36  6  3  A   9  1  A  100.00  
37  3  2  A  10  1  A    2.02  
38  4  2  A  10  1  A    2.02  
39  5  3  A  10  1  A   19.31  
40  6  3  A  10  1  A   19.31  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A   19.31  
44  6  3  A  11  1  A   19.31  
45  3  2  A  12  1  A    0.47  
46  4  2  A  12  1  A    0.47  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A   19.31  
52  6  3  A  13  1  A   19.31  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A   19.31  
64  6  3  A  16  1  A   19.31  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A   19.31  
68  6  3  A  17  1  A   19.31  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A    2.02  
78  4  2  A  20  1  A    2.02  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.68  0.83  166  218  
 2   2  1  A  A  0.72  0.82  166  218  
 3   3  1  A  A  0.74  0.77  166  218  
 4   4  1  A  A  0.69  0.88  166  218  
 5   5  1  A  A  0.72  0.77  166  218  
 6   6  1  A  A  0.69  0.80  166  218  
 7   7  1  A  A  0.69  0.75  166  218  
 8   8  1  A  A  0.67  0.78  166  218  
 9   9  1  A  A  0.68  0.81  166  218  
10  10  1  A  A  0.62  0.76  166  218  
11  11  1  A  A  0.68  0.74  166  218  
12  12  1  A  A  0.72  0.75  166  218  
13  13  1  A  A  0.66  0.76  166  218  
14  14  1  A  A  0.69  0.80  166  218  
15  15  1  A  A  0.70  0.79  166  218  
16  16  1  A  A  0.75  0.79  166  218  
17  17  1  A  A  0.66  0.77  166  218  
18  18  1  A  A  0.67  0.76  166  218  
19  19  1  A  A  0.72  0.85  166  218  
20  20  1  A  A  0.63  0.81  166  218  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.95
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.95
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   1.25
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       1.47
_pdbx_vrpt_summary_geometry.clashscore                                 4.77
_pdbx_vrpt_summary_geometry.clashscore_full_length                     4.52
_pdbx_vrpt_summary_geometry.num_H_reduce                               2900
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3320
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.79
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            4360
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.69
#
_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            1
_pdbx_vrpt_summary_nmr.medoid_model                             13
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              4
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              70.61
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  69.03
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  ARG  A   1  .  ?        ?  
  2   1  1  A   2  GLY  A   2  .  ?        ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?  
  4   1  1  A   4  CYS  A   4  .  ?        ?  
  5   1  1  A   5  ASN  A   5  .  ?        ?  
  6   1  1  A   6  GLY  A   6  .  ?        ?  
  7   1  1  A   7  ARG  A   7  .  ?        2  
  8   1  1  A   8  GLY  A   8  .  ?        ?  
  9   1  1  A   9  GLY  A   9  .  ?        ?  
 10   1  1  A  10  CYS  A  10  .  ?        ?  
 11   1  1  A  11  SER  A  11  .  ?        ?  
 12   1  1  A  12  SER  A  12  .  ?        ?  
 13   1  1  A  13  ARG  A  13  .  ?        ?  
 14   1  1  A  14  TRP  A  14  .  ?        ?  
 15   1  1  A  15  CYS  A  15  .  ?        1  
 16   1  1  A  16  ARG  A  16  .  ?        ?  
 17   1  1  A  17  ASP  A  17  .  ?        ?  
 18   1  1  A  18  HIS  A  18  .  ?        ?  
 19   1  1  A  19  ALA  A  19  .  ?        1  
 20   1  1  A  20  ARG  A  20  .  ?        ?  
 21   1  1  A  21  CYS  A  21  .  ?        ?  
 22   1  1  A  22  CYS  A  22  .  ?        ?  
 23   1  1  A  23  NH2  A  23  .  ?        ?  
 24   2  1  A   1  ARG  A   1  .  ?        ?  
 25   2  1  A   2  GLY  A   2  .  ?        ?  
 26   2  1  A   3  CYS  A   3  .  ?        ?  
 27   2  1  A   4  CYS  A   4  .  ?        ?  
 28   2  1  A   5  ASN  A   5  .  ?        ?  
 29   2  1  A   6  GLY  A   6  .  ?        ?  
 30   2  1  A   7  ARG  A   7  .  ?        2  
 31   2  1  A   8  GLY  A   8  .  ?        ?  
 32   2  1  A   9  GLY  A   9  .  ?        ?  
 33   2  1  A  10  CYS  A  10  .  ?        ?  
 34   2  1  A  11  SER  A  11  .  ?        ?  
 35   2  1  A  12  SER  A  12  .  ?        ?  
 36   2  1  A  13  ARG  A  13  .  ?        ?  
 37   2  1  A  14  TRP  A  14  .  ?        ?  
 38   2  1  A  15  CYS  A  15  .  ?        ?  
 39   2  1  A  16  ARG  A  16  .  ?        ?  
 40   2  1  A  17  ASP  A  17  .  ?        ?  
 41   2  1  A  18  HIS  A  18  .  ?        ?  
 42   2  1  A  19  ALA  A  19  .  ?        ?  
 43   2  1  A  20  ARG  A  20  .  ?        ?  
 44   2  1  A  21  CYS  A  21  .  ?        ?  
 45   2  1  A  22  CYS  A  22  .  ?        ?  
 46   2  1  A  23  NH2  A  23  .  ?        ?  
 47   3  1  A   1  ARG  A   1  .  ?        ?  
 48   3  1  A   2  GLY  A   2  .  ?        ?  
 49   3  1  A   3  CYS  A   3  .  ?        ?  
 50   3  1  A   4  CYS  A   4  .  ?        ?  
 51   3  1  A   5  ASN  A   5  .  ?        ?  
 52   3  1  A   6  GLY  A   6  .  ?        ?  
 53   3  1  A   7  ARG  A   7  .  ?        1  
 54   3  1  A   8  GLY  A   8  .  ?        ?  
 55   3  1  A   9  GLY  A   9  .  ?        ?  
 56   3  1  A  10  CYS  A  10  .  ?        ?  
 57   3  1  A  11  SER  A  11  .  ?        ?  
 58   3  1  A  12  SER  A  12  .  ?        ?  
 59   3  1  A  13  ARG  A  13  .  ?        ?  
 60   3  1  A  14  TRP  A  14  .  ?        ?  
 61   3  1  A  15  CYS  A  15  .  ?        1  
 62   3  1  A  16  ARG  A  16  .  ?        ?  
 63   3  1  A  17  ASP  A  17  .  ?        ?  
 64   3  1  A  18  HIS  A  18  .  ?        ?  
 65   3  1  A  19  ALA  A  19  .  ?        ?  
 66   3  1  A  20  ARG  A  20  .  ?        ?  
 67   3  1  A  21  CYS  A  21  .  ?        ?  
 68   3  1  A  22  CYS  A  22  .  ?        ?  
 69   3  1  A  23  NH2  A  23  .  ?        ?  
 70   4  1  A   1  ARG  A   1  .  ?        ?  
 71   4  1  A   2  GLY  A   2  .  ?        ?  
 72   4  1  A   3  CYS  A   3  .  ?        ?  
 73   4  1  A   4  CYS  A   4  .  ?        ?  
 74   4  1  A   5  ASN  A   5  .  ?        ?  
 75   4  1  A   6  GLY  A   6  .  ?        ?  
 76   4  1  A   7  ARG  A   7  .  ?        ?  
 77   4  1  A   8  GLY  A   8  .  ?        ?  
 78   4  1  A   9  GLY  A   9  .  ?        ?  
 79   4  1  A  10  CYS  A  10  .  ?        ?  
 80   4  1  A  11  SER  A  11  .  ?        ?  
 81   4  1  A  12  SER  A  12  .  ?        ?  
 82   4  1  A  13  ARG  A  13  .  ?        ?  
 83   4  1  A  14  TRP  A  14  .  ?        ?  
 84   4  1  A  15  CYS  A  15  .  ?        ?  
 85   4  1  A  16  ARG  A  16  .  ?        ?  
 86   4  1  A  17  ASP  A  17  .  ?        ?  
 87   4  1  A  18  HIS  A  18  .  ?        ?  
 88   4  1  A  19  ALA  A  19  .  ?        ?  
 89   4  1  A  20  ARG  A  20  .  ?        ?  
 90   4  1  A  21  CYS  A  21  .  ?        ?  
 91   4  1  A  22  CYS  A  22  .  ?        ?  
 92   4  1  A  23  NH2  A  23  .  ?        ?  
 93   5  1  A   1  ARG  A   1  .  ?        ?  
 94   5  1  A   2  GLY  A   2  .  ?        ?  
 95   5  1  A   3  CYS  A   3  .  ?        ?  
 96   5  1  A   4  CYS  A   4  .  ?        ?  
 97   5  1  A   5  ASN  A   5  .  ?        ?  
 98   5  1  A   6  GLY  A   6  .  ?        ?  
 99   5  1  A   7  ARG  A   7  .  ?        ?  
100   5  1  A   8  GLY  A   8  .  ?        ?  
101   5  1  A   9  GLY  A   9  .  ?        ?  
102   5  1  A  10  CYS  A  10  .  ?        ?  
103   5  1  A  11  SER  A  11  .  ?        ?  
104   5  1  A  12  SER  A  12  .  ?        ?  
105   5  1  A  13  ARG  A  13  .  ?        ?  
106   5  1  A  14  TRP  A  14  .  ?        ?  
107   5  1  A  15  CYS  A  15  .  ?        ?  
108   5  1  A  16  ARG  A  16  .  ?        ?  
109   5  1  A  17  ASP  A  17  .  ?        ?  
110   5  1  A  18  HIS  A  18  .  ?        ?  
111   5  1  A  19  ALA  A  19  .  ?        ?  
112   5  1  A  20  ARG  A  20  .  ?        ?  
113   5  1  A  21  CYS  A  21  .  ?        ?  
114   5  1  A  22  CYS  A  22  .  ?        ?  
115   5  1  A  23  NH2  A  23  .  ?        ?  
116   6  1  A   1  ARG  A   1  .  ?        ?  
117   6  1  A   2  GLY  A   2  .  ?        ?  
118   6  1  A   3  CYS  A   3  .  ?        ?  
119   6  1  A   4  CYS  A   4  .  ?        ?  
120   6  1  A   5  ASN  A   5  .  ?        ?  
121   6  1  A   6  GLY  A   6  .  ?        ?  
122   6  1  A   7  ARG  A   7  .  ?        4  
123   6  1  A   8  GLY  A   8  .  ?        1  
124   6  1  A   9  GLY  A   9  .  ?        ?  
125   6  1  A  10  CYS  A  10  .  ?        ?  
126   6  1  A  11  SER  A  11  .  ?        ?  
127   6  1  A  12  SER  A  12  .  ?        ?  
128   6  1  A  13  ARG  A  13  .  ?        ?  
129   6  1  A  14  TRP  A  14  .  ?        ?  
130   6  1  A  15  CYS  A  15  .  ?        2  
131   6  1  A  16  ARG  A  16  .  ?        ?  
132   6  1  A  17  ASP  A  17  .  ?        ?  
133   6  1  A  18  HIS  A  18  .  ?        ?  
134   6  1  A  19  ALA  A  19  .  ?        1  
135   6  1  A  20  ARG  A  20  .  ?        ?  
136   6  1  A  21  CYS  A  21  .  ?        ?  
137   6  1  A  22  CYS  A  22  .  ?        ?  
138   6  1  A  23  NH2  A  23  .  ?        ?  
139   7  1  A   1  ARG  A   1  .  ?        ?  
140   7  1  A   2  GLY  A   2  .  ?        ?  
141   7  1  A   3  CYS  A   3  .  ?        ?  
142   7  1  A   4  CYS  A   4  .  ?        ?  
143   7  1  A   5  ASN  A   5  .  ?        ?  
144   7  1  A   6  GLY  A   6  .  ?        ?  
145   7  1  A   7  ARG  A   7  .  ?        2  
146   7  1  A   8  GLY  A   8  .  ?        ?  
147   7  1  A   9  GLY  A   9  .  ?        ?  
148   7  1  A  10  CYS  A  10  .  ?        ?  
149   7  1  A  11  SER  A  11  .  ?        ?  
150   7  1  A  12  SER  A  12  .  ?        ?  
151   7  1  A  13  ARG  A  13  .  ?        ?  
152   7  1  A  14  TRP  A  14  .  ?        1  
153   7  1  A  15  CYS  A  15  .  ?        ?  
154   7  1  A  16  ARG  A  16  .  ?        ?  
155   7  1  A  17  ASP  A  17  .  ?        ?  
156   7  1  A  18  HIS  A  18  .  ?        1  
157   7  1  A  19  ALA  A  19  .  ?        ?  
158   7  1  A  20  ARG  A  20  .  ?        ?  
159   7  1  A  21  CYS  A  21  .  ?        ?  
160   7  1  A  22  CYS  A  22  .  ?        ?  
161   7  1  A  23  NH2  A  23  .  ?        ?  
162   8  1  A   1  ARG  A   1  .  ?        ?  
163   8  1  A   2  GLY  A   2  .  ?        1  
164   8  1  A   3  CYS  A   3  .  ?        ?  
165   8  1  A   4  CYS  A   4  .  ?        ?  
166   8  1  A   5  ASN  A   5  .  ?        ?  
167   8  1  A   6  GLY  A   6  .  ?        1  
168   8  1  A   7  ARG  A   7  .  ?        ?  
169   8  1  A   8  GLY  A   8  .  ?        ?  
170   8  1  A   9  GLY  A   9  .  ?        ?  
171   8  1  A  10  CYS  A  10  .  ?        ?  
172   8  1  A  11  SER  A  11  .  ?        ?  
173   8  1  A  12  SER  A  12  .  ?        ?  
174   8  1  A  13  ARG  A  13  .  ?        ?  
175   8  1  A  14  TRP  A  14  .  ?        ?  
176   8  1  A  15  CYS  A  15  .  ?        ?  
177   8  1  A  16  ARG  A  16  .  ?        ?  
178   8  1  A  17  ASP  A  17  .  ?        ?  
179   8  1  A  18  HIS  A  18  .  ?        ?  
180   8  1  A  19  ALA  A  19  .  ?        ?  
181   8  1  A  20  ARG  A  20  .  ?        ?  
182   8  1  A  21  CYS  A  21  .  ?        ?  
183   8  1  A  22  CYS  A  22  .  ?        ?  
184   8  1  A  23  NH2  A  23  .  ?        ?  
185   9  1  A   1  ARG  A   1  .  ?        ?  
186   9  1  A   2  GLY  A   2  .  ?        ?  
187   9  1  A   3  CYS  A   3  .  ?        ?  
188   9  1  A   4  CYS  A   4  .  ?        ?  
189   9  1  A   5  ASN  A   5  .  ?        ?  
190   9  1  A   6  GLY  A   6  .  ?        ?  
191   9  1  A   7  ARG  A   7  .  ?        2  
192   9  1  A   8  GLY  A   8  .  ?        ?  
193   9  1  A   9  GLY  A   9  .  ?        ?  
194   9  1  A  10  CYS  A  10  .  ?        ?  
195   9  1  A  11  SER  A  11  .  ?        ?  
196   9  1  A  12  SER  A  12  .  ?        ?  
197   9  1  A  13  ARG  A  13  .  ?        ?  
198   9  1  A  14  TRP  A  14  .  ?        ?  
199   9  1  A  15  CYS  A  15  .  ?        ?  
200   9  1  A  16  ARG  A  16  .  ?        ?  
201   9  1  A  17  ASP  A  17  .  ?        ?  
202   9  1  A  18  HIS  A  18  .  ?        ?  
203   9  1  A  19  ALA  A  19  .  ?        ?  
204   9  1  A  20  ARG  A  20  .  ?        ?  
205   9  1  A  21  CYS  A  21  .  ?        ?  
206   9  1  A  22  CYS  A  22  .  ?        ?  
207   9  1  A  23  NH2  A  23  .  ?        ?  
208  10  1  A   1  ARG  A   1  .  ?        ?  
209  10  1  A   2  GLY  A   2  .  ?        ?  
210  10  1  A   3  CYS  A   3  .  ?        ?  
211  10  1  A   4  CYS  A   4  .  ?        ?  
212  10  1  A   5  ASN  A   5  .  ?        ?  
213  10  1  A   6  GLY  A   6  .  ?        ?  
214  10  1  A   7  ARG  A   7  .  ?        1  
215  10  1  A   8  GLY  A   8  .  ?        ?  
216  10  1  A   9  GLY  A   9  .  ?        ?  
217  10  1  A  10  CYS  A  10  .  ?        ?  
218  10  1  A  11  SER  A  11  .  ?        ?  
219  10  1  A  12  SER  A  12  .  ?        1  
220  10  1  A  13  ARG  A  13  .  ?        ?  
221  10  1  A  14  TRP  A  14  .  ?        ?  
222  10  1  A  15  CYS  A  15  .  ?        1  
223  10  1  A  16  ARG  A  16  .  ?        ?  
224  10  1  A  17  ASP  A  17  .  ?        ?  
225  10  1  A  18  HIS  A  18  .  ?        ?  
226  10  1  A  19  ALA  A  19  .  ?        1  
227  10  1  A  20  ARG  A  20  .  ?        ?  
228  10  1  A  21  CYS  A  21  .  ?        ?  
229  10  1  A  22  CYS  A  22  .  ?        ?  
230  10  1  A  23  NH2  A  23  .  ?        ?  
231  11  1  A   1  ARG  A   1  .  ?        ?  
232  11  1  A   2  GLY  A   2  .  ?        ?  
233  11  1  A   3  CYS  A   3  .  ?        ?  
234  11  1  A   4  CYS  A   4  .  ?        ?  
235  11  1  A   5  ASN  A   5  .  ?        ?  
236  11  1  A   6  GLY  A   6  .  ?        ?  
237  11  1  A   7  ARG  A   7  .  ?        2  
238  11  1  A   8  GLY  A   8  .  ?        ?  
239  11  1  A   9  GLY  A   9  .  ?        ?  
240  11  1  A  10  CYS  A  10  .  ?        ?  
241  11  1  A  11  SER  A  11  .  ?        ?  
242  11  1  A  12  SER  A  12  .  ?        ?  
243  11  1  A  13  ARG  A  13  .  ?        ?  
244  11  1  A  14  TRP  A  14  .  ?        ?  
245  11  1  A  15  CYS  A  15  .  ?        1  
246  11  1  A  16  ARG  A  16  .  ?        ?  
247  11  1  A  17  ASP  A  17  .  ?        ?  
248  11  1  A  18  HIS  A  18  .  ?        ?  
249  11  1  A  19  ALA  A  19  .  ?        1  
250  11  1  A  20  ARG  A  20  .  ?        ?  
251  11  1  A  21  CYS  A  21  .  ?        ?  
252  11  1  A  22  CYS  A  22  .  ?        ?  
253  11  1  A  23  NH2  A  23  .  ?        ?  
254  12  1  A   1  ARG  A   1  .  ?        ?  
255  12  1  A   2  GLY  A   2  .  ?        ?  
256  12  1  A   3  CYS  A   3  .  ?        ?  
257  12  1  A   4  CYS  A   4  .  ?        ?  
258  12  1  A   5  ASN  A   5  .  ?        ?  
259  12  1  A   6  GLY  A   6  .  ?        ?  
260  12  1  A   7  ARG  A   7  .  ?        ?  
261  12  1  A   8  GLY  A   8  .  ?        ?  
262  12  1  A   9  GLY  A   9  .  ?        ?  
263  12  1  A  10  CYS  A  10  .  ?        ?  
264  12  1  A  11  SER  A  11  .  ?        ?  
265  12  1  A  12  SER  A  12  .  ?        ?  
266  12  1  A  13  ARG  A  13  .  ?        ?  
267  12  1  A  14  TRP  A  14  .  ?        ?  
268  12  1  A  15  CYS  A  15  .  ?        1  
269  12  1  A  16  ARG  A  16  .  ?        ?  
270  12  1  A  17  ASP  A  17  .  ?        ?  
271  12  1  A  18  HIS  A  18  .  ?        ?  
272  12  1  A  19  ALA  A  19  .  ?        1  
273  12  1  A  20  ARG  A  20  .  ?        ?  
274  12  1  A  21  CYS  A  21  .  ?        ?  
275  12  1  A  22  CYS  A  22  .  ?        ?  
276  12  1  A  23  NH2  A  23  .  ?        ?  
277  13  1  A   1  ARG  A   1  .  ?        ?  
278  13  1  A   2  GLY  A   2  .  ?        ?  
279  13  1  A   3  CYS  A   3  .  ?        ?  
280  13  1  A   4  CYS  A   4  .  ?        ?  
281  13  1  A   5  ASN  A   5  .  ?        ?  
282  13  1  A   6  GLY  A   6  .  ?        ?  
283  13  1  A   7  ARG  A   7  .  ?        2  
284  13  1  A   8  GLY  A   8  .  ?        ?  
285  13  1  A   9  GLY  A   9  .  ?        ?  
286  13  1  A  10  CYS  A  10  .  ?        ?  
287  13  1  A  11  SER  A  11  .  ?        ?  
288  13  1  A  12  SER  A  12  .  ?        ?  
289  13  1  A  13  ARG  A  13  .  ?        ?  
290  13  1  A  14  TRP  A  14  .  ?        ?  
291  13  1  A  15  CYS  A  15  .  ?        ?  
292  13  1  A  16  ARG  A  16  .  ?        ?  
293  13  1  A  17  ASP  A  17  .  ?        ?  
294  13  1  A  18  HIS  A  18  .  ?        ?  
295  13  1  A  19  ALA  A  19  .  ?        ?  
296  13  1  A  20  ARG  A  20  .  ?        ?  
297  13  1  A  21  CYS  A  21  .  ?        ?  
298  13  1  A  22  CYS  A  22  .  ?        ?  
299  13  1  A  23  NH2  A  23  .  ?        ?  
300  14  1  A   1  ARG  A   1  .  ?        ?  
301  14  1  A   2  GLY  A   2  .  ?        ?  
302  14  1  A   3  CYS  A   3  .  ?        ?  
303  14  1  A   4  CYS  A   4  .  ?        ?  
304  14  1  A   5  ASN  A   5  .  ?        ?  
305  14  1  A   6  GLY  A   6  .  ?        ?  
306  14  1  A   7  ARG  A   7  .  ?        3  
307  14  1  A   8  GLY  A   8  .  ?        ?  
308  14  1  A   9  GLY  A   9  .  ?        ?  
309  14  1  A  10  CYS  A  10  .  ?        ?  
310  14  1  A  11  SER  A  11  .  ?        ?  
311  14  1  A  12  SER  A  12  .  ?        ?  
312  14  1  A  13  ARG  A  13  .  ?        ?  
313  14  1  A  14  TRP  A  14  .  ?        ?  
314  14  1  A  15  CYS  A  15  .  ?        1  
315  14  1  A  16  ARG  A  16  .  ?        ?  
316  14  1  A  17  ASP  A  17  .  ?        ?  
317  14  1  A  18  HIS  A  18  .  ?        ?  
318  14  1  A  19  ALA  A  19  .  ?        ?  
319  14  1  A  20  ARG  A  20  .  ?        ?  
320  14  1  A  21  CYS  A  21  .  ?        ?  
321  14  1  A  22  CYS  A  22  .  ?        ?  
322  14  1  A  23  NH2  A  23  .  ?        ?  
323  15  1  A   1  ARG  A   1  .  ?        ?  
324  15  1  A   2  GLY  A   2  .  ?        ?  
325  15  1  A   3  CYS  A   3  .  ?        ?  
326  15  1  A   4  CYS  A   4  .  ?        ?  
327  15  1  A   5  ASN  A   5  .  ?        ?  
328  15  1  A   6  GLY  A   6  .  ?        ?  
329  15  1  A   7  ARG  A   7  .  ?        ?  
330  15  1  A   8  GLY  A   8  .  ?        ?  
331  15  1  A   9  GLY  A   9  .  ?        ?  
332  15  1  A  10  CYS  A  10  .  ?        ?  
333  15  1  A  11  SER  A  11  .  ?        ?  
334  15  1  A  12  SER  A  12  .  ?        ?  
335  15  1  A  13  ARG  A  13  .  ?        ?  
336  15  1  A  14  TRP  A  14  .  ?        ?  
337  15  1  A  15  CYS  A  15  .  ?        1  
338  15  1  A  16  ARG  A  16  .  ?        2  
339  15  1  A  17  ASP  A  17  .  ?        ?  
340  15  1  A  18  HIS  A  18  .  ?        ?  
341  15  1  A  19  ALA  A  19  .  ?        1  
342  15  1  A  20  ARG  A  20  .  ?        ?  
343  15  1  A  21  CYS  A  21  .  ?        ?  
344  15  1  A  22  CYS  A  22  .  ?        ?  
345  15  1  A  23  NH2  A  23  .  ?        ?  
346  16  1  A   1  ARG  A   1  .  ?        ?  
347  16  1  A   2  GLY  A   2  .  ?        ?  
348  16  1  A   3  CYS  A   3  .  ?        ?  
349  16  1  A   4  CYS  A   4  .  ?        ?  
350  16  1  A   5  ASN  A   5  .  ?        ?  
351  16  1  A   6  GLY  A   6  .  ?        ?  
352  16  1  A   7  ARG  A   7  .  ?        3  
353  16  1  A   8  GLY  A   8  .  ?        ?  
354  16  1  A   9  GLY  A   9  .  ?        ?  
355  16  1  A  10  CYS  A  10  .  ?        ?  
356  16  1  A  11  SER  A  11  .  ?        ?  
357  16  1  A  12  SER  A  12  .  ?        ?  
358  16  1  A  13  ARG  A  13  .  ?        ?  
359  16  1  A  14  TRP  A  14  .  ?        ?  
360  16  1  A  15  CYS  A  15  .  ?        1  
361  16  1  A  16  ARG  A  16  .  ?        ?  
362  16  1  A  17  ASP  A  17  .  ?        ?  
363  16  1  A  18  HIS  A  18  .  ?        ?  
364  16  1  A  19  ALA  A  19  .  ?        ?  
365  16  1  A  20  ARG  A  20  .  ?        2  
366  16  1  A  21  CYS  A  21  .  ?        ?  
367  16  1  A  22  CYS  A  22  .  ?        ?  
368  16  1  A  23  NH2  A  23  .  ?        ?  
369  17  1  A   1  ARG  A   1  .  ?        ?  
370  17  1  A   2  GLY  A   2  .  ?        ?  
371  17  1  A   3  CYS  A   3  .  ?        ?  
372  17  1  A   4  CYS  A   4  .  ?        ?  
373  17  1  A   5  ASN  A   5  .  ?        ?  
374  17  1  A   6  GLY  A   6  .  ?        ?  
375  17  1  A   7  ARG  A   7  .  ?        ?  
376  17  1  A   8  GLY  A   8  .  ?        ?  
377  17  1  A   9  GLY  A   9  .  ?        ?  
378  17  1  A  10  CYS  A  10  .  ?        ?  
379  17  1  A  11  SER  A  11  .  ?        ?  
380  17  1  A  12  SER  A  12  .  ?        ?  
381  17  1  A  13  ARG  A  13  .  ?        ?  
382  17  1  A  14  TRP  A  14  .  ?        ?  
383  17  1  A  15  CYS  A  15  .  ?        ?  
384  17  1  A  16  ARG  A  16  .  ?        ?  
385  17  1  A  17  ASP  A  17  .  ?        ?  
386  17  1  A  18  HIS  A  18  .  ?        ?  
387  17  1  A  19  ALA  A  19  .  ?        ?  
388  17  1  A  20  ARG  A  20  .  ?        ?  
389  17  1  A  21  CYS  A  21  .  ?        ?  
390  17  1  A  22  CYS  A  22  .  ?        ?  
391  17  1  A  23  NH2  A  23  .  ?        ?  
392  18  1  A   1  ARG  A   1  .  ?        ?  
393  18  1  A   2  GLY  A   2  .  ?        ?  
394  18  1  A   3  CYS  A   3  .  ?        ?  
395  18  1  A   4  CYS  A   4  .  ?        ?  
396  18  1  A   5  ASN  A   5  .  ?        ?  
397  18  1  A   6  GLY  A   6  .  ?        ?  
398  18  1  A   7  ARG  A   7  .  ?        2  
399  18  1  A   8  GLY  A   8  .  ?        ?  
400  18  1  A   9  GLY  A   9  .  ?        ?  
401  18  1  A  10  CYS  A  10  .  ?        ?  
402  18  1  A  11  SER  A  11  .  ?        ?  
403  18  1  A  12  SER  A  12  .  ?        ?  
404  18  1  A  13  ARG  A  13  .  ?        ?  
405  18  1  A  14  TRP  A  14  .  ?        ?  
406  18  1  A  15  CYS  A  15  .  ?        1  
407  18  1  A  16  ARG  A  16  .  ?        ?  
408  18  1  A  17  ASP  A  17  .  ?        ?  
409  18  1  A  18  HIS  A  18  .  ?        ?  
410  18  1  A  19  ALA  A  19  .  ?        1  
411  18  1  A  20  ARG  A  20  .  ?        ?  
412  18  1  A  21  CYS  A  21  .  ?        ?  
413  18  1  A  22  CYS  A  22  .  ?        ?  
414  18  1  A  23  NH2  A  23  .  ?        ?  
415  19  1  A   1  ARG  A   1  .  ?        2  
416  19  1  A   2  GLY  A   2  .  ?        ?  
417  19  1  A   3  CYS  A   3  .  ?        ?  
418  19  1  A   4  CYS  A   4  .  ?        ?  
419  19  1  A   5  ASN  A   5  .  ?        ?  
420  19  1  A   6  GLY  A   6  .  ?        ?  
421  19  1  A   7  ARG  A   7  .  ?        ?  
422  19  1  A   8  GLY  A   8  .  ?        ?  
423  19  1  A   9  GLY  A   9  .  ?        ?  
424  19  1  A  10  CYS  A  10  .  ?        ?  
425  19  1  A  11  SER  A  11  .  ?        ?  
426  19  1  A  12  SER  A  12  .  ?        ?  
427  19  1  A  13  ARG  A  13  .  ?        ?  
428  19  1  A  14  TRP  A  14  .  ?        ?  
429  19  1  A  15  CYS  A  15  .  ?        ?  
430  19  1  A  16  ARG  A  16  .  ?        ?  
431  19  1  A  17  ASP  A  17  .  ?        ?  
432  19  1  A  18  HIS  A  18  .  ?        ?  
433  19  1  A  19  ALA  A  19  .  ?        ?  
434  19  1  A  20  ARG  A  20  .  ?        ?  
435  19  1  A  21  CYS  A  21  .  ?        ?  
436  19  1  A  22  CYS  A  22  .  ?        ?  
437  19  1  A  23  NH2  A  23  .  ?        ?  
438  20  1  A   1  ARG  A   1  .  ?        ?  
439  20  1  A   2  GLY  A   2  .  ?        ?  
440  20  1  A   3  CYS  A   3  .  ?        ?  
441  20  1  A   4  CYS  A   4  .  ?        ?  
442  20  1  A   5  ASN  A   5  .  ?        ?  
443  20  1  A   6  GLY  A   6  .  ?        ?  
444  20  1  A   7  ARG  A   7  .  ?        ?  
445  20  1  A   8  GLY  A   8  .  ?        ?  
446  20  1  A   9  GLY  A   9  .  ?        ?  
447  20  1  A  10  CYS  A  10  .  ?        ?  
448  20  1  A  11  SER  A  11  .  ?        ?  
449  20  1  A  12  SER  A  12  .  ?        ?  
450  20  1  A  13  ARG  A  13  .  ?        ?  
451  20  1  A  14  TRP  A  14  .  ?        ?  
452  20  1  A  15  CYS  A  15  .  ?        ?  
453  20  1  A  16  ARG  A  16  .  ?        ?  
454  20  1  A  17  ASP  A  17  .  ?        ?  
455  20  1  A  18  HIS  A  18  .  ?        ?  
456  20  1  A  19  ALA  A  19  .  ?        ?  
457  20  1  A  20  ARG  A  20  .  ?        ?  
458  20  1  A  21  CYS  A  21  .  ?        ?  
459  20  1  A  22  CYS  A  22  .  ?        ?  
460  20  1  A  23  NH2  A  23  .  ?        ?  
#
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  ptm180        ?       ?  ?          15    11  0.49    14  0.75  molprobity     ?  False  
  2    2  ?        -113.7    51.7  Allowed     3     4  2.00     5  0.50  molprobity     1  True   
  3    3  m         -97.5    13.7  Favored     4     6  1.16     8  0.79  molprobity     1  True   
  4    4  m        -126.8   -42.1  Allowed     4     6  0.75     8  0.98  molprobity     1  True   
  5    5  t-20     -168.8   113.2  Allowed     6     8  0.54    11  0.74  molprobity     1  True   
  6    6  ?         150.2    -6.1  Allowed     3     4  0.76     5  0.48  molprobity     1  True   
  7    7  mmp_?    -111.2   162.7  Favored    13    11  0.60    14  1.17  molprobity     1  True   
  8    8  ?         -76.2    60.5  Favored     3     4  0.80     5  0.36  molprobity     1  True   
  9    9  ?         109.5   137.0  Favored     3     4  1.52     5  0.50  molprobity     1  True   
 10   10  m         -74.8   -13.7  Favored     4     6  0.44     8  0.42  molprobity     1  True   
 11   11  t         -92.0     9.9  Favored     5     6  0.88     8  0.49  molprobity     1  True   
 12   12  t         -73.2   156.0  Favored     5     6  0.48     8  0.58  molprobity     1  True   
 13   13  ttp180    -57.9   -36.6  Favored    13    11  0.53    14  0.45  molprobity     1  True   
 14   14  t90       -58.3   -48.6  Favored    10    16  0.85    23  0.39  molprobity     1  True   
 15   15  m         -88.5   -13.9  Favored     4     6  1.81     8  0.93  molprobity     1  True   
 16   16  tpp180    -73.3   -31.6  Favored    13    11  0.56    14  0.57  molprobity     1  True   
 17   17  t70      -100.1   -48.1  Favored     4     8  0.34    11  0.89  molprobity     1  True   
 18   18  m-70      -99.1    30.4  Favored     7    11  0.77    15  0.64  molprobity     1  True   
 19   19  ?         -59.1   129.2  Favored     5     5  0.54     7  0.78  molprobity     1  True   
 20   20  mtp180   -108.0   -58.0  Favored    13    11  0.63    14  0.55  molprobity     1  True   
 21   21  m        -102.9   -57.2  Favored     4     6  0.48     8  0.44  molprobity     1  True   
 22   22  p        -128.7   109.4  Favored     4     5  0.89     5  0.58  molprobity     1  True   
 23   23  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 24   24  ttm180        ?       ?  ?          15    11  0.55    14  0.87  molprobity     ?  False  
 25   25  ?         -72.0    56.8  Allowed     3     4  1.60     5  0.70  molprobity     1  True   
 26   26  m        -102.0    17.8  Favored     4     6  1.10     8  1.02  molprobity     1  True   
 27   27  m        -126.5   -43.6  Allowed     4     6  0.43     8  1.19  molprobity     1  True   
 28   28  t-20     -166.7   120.8  Allowed     6     8  0.79    11  0.66  molprobity     1  True   
 29   29  ?         150.6   -36.3  Allowed     3     4  0.56     5  0.37  molprobity     1  True   
 30   30  mmp_?     -85.5   170.0  Favored    13    11  0.86    14  0.70  molprobity     1  True   
 31   31  ?         -79.3    60.1  Favored     3     4  0.73     5  0.30  molprobity     1  True   
 32   32  ?          94.7   140.6  Favored     3     4  1.45     5  0.47  molprobity     1  True   
 33   33  m         -76.3    -8.2  Favored     4     6  0.33     8  0.20  molprobity     1  True   
 34   34  t         -67.1   -22.7  Favored     5     6  0.90     8  0.59  molprobity     1  True   
 35   35  m         -61.1   130.6  Favored     5     6  1.00     8  0.92  molprobity     1  True   
 36   36  mmm180    -56.8   -27.5  Favored    13    11  0.48    14  0.72  molprobity     1  True   
 37   37  t90       -53.0   -60.1  Favored    10    16  0.82    23  0.65  molprobity     1  True   
 38   38  m         -77.1   -10.4  Favored     4     6  1.92     8  0.62  molprobity     1  True   
 39   39  mmm180    -79.6   -33.9  Favored    13    11  0.41    14  0.66  molprobity     1  True   
 40   40  t70       -92.8   -37.3  Favored     4     8  0.64    11  0.82  molprobity     1  True   
 41   41  m-70     -108.9    38.5  Favored     7    11  0.71    15  0.83  molprobity     1  True   
 42   42  ?         -63.4   139.6  Favored     5     5  0.71     7  0.93  molprobity     1  True   
 43   43  mmm180   -108.2   -57.8  Favored    13    11  0.52    14  0.66  molprobity     1  True   
 44   44  m        -117.5   -57.0  Favored     4     6  0.37     8  0.12  molprobity     1  True   
 45   45  p         -94.0    76.0  Favored     4     5  0.39     5  0.42  molprobity     1  True   
 46   46  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 47   47  ptp180        ?       ?  ?          15    11  0.55    14  0.70  molprobity     ?  False  
 48   48  ?         -82.2    55.0  Favored     3     4  1.28     5  0.34  molprobity     1  True   
 49   49  m         -95.4    12.4  Favored     4     6  1.34     8  0.76  molprobity     1  True   
 50   50  m        -124.9   -37.3  Favored     4     6  0.95     8  1.12  molprobity     1  True   
 51   51  t30      -170.3   113.8  Allowed     6     8  0.40    11  0.75  molprobity     1  True   
 52   52  ?         150.4   -26.8  Allowed     3     4  0.58     5  0.55  molprobity     1  True   
 53   53  mmm180    -88.8  -179.4  Favored    13    11  0.59    14  0.64  molprobity     1  True   
 54   54  ?         -81.8    50.1  Favored     3     4  0.53     5  0.34  molprobity     1  True   
 55   55  ?          99.0   171.9  Favored     3     4  1.08     5  0.43  molprobity     1  True   
 56   56  m         -80.5    -9.2  Favored     4     6  0.43     8  0.82  molprobity     1  True   
 57   57  m         -71.3   -14.4  Favored     5     6  1.29     8  1.48  molprobity     1  True   
 58   58  p         -67.7   140.0  Favored     5     6  0.77     8  0.90  molprobity     1  True   
 59   59  ttp180    -59.2   -30.5  Favored    13    11  0.43    14  0.47  molprobity     1  True   
 60   60  t90       -59.0   -48.1  Favored    10    16  0.72    23  0.56  molprobity     1  True   
 61   61  m         -83.5   -11.1  Favored     4     6  1.70     8  0.80  molprobity     1  True   
 62   62  mmm180    -76.9   -41.8  Favored    13    11  0.51    14  0.78  molprobity     1  True   
 63   63  t70       -87.8   -53.7  Favored     4     8  0.45    11  0.91  molprobity     1  True   
 64   64  m-70      -98.3    33.5  Favored     7    11  0.51    15  0.73  molprobity     1  True   
 65   65  ?         -55.4   108.9  Allowed     5     5  0.59     7  0.45  molprobity     1  True   
 66   66  ttp180    -86.4   -36.1  Favored    13    11  0.65    14  0.46  molprobity     1  True   
 67   67  m        -129.8   -64.7  Allowed     4     6  0.61     8  0.51  molprobity     1  True   
 68   68  t        -126.5   100.6  Favored     4     5  0.49     5  0.94  molprobity     1  True   
 69   69  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 70   70  ptp180        ?       ?  ?          15    11  0.53    14  0.93  molprobity     ?  False  
 71   71  ?        -119.5    62.5  Allowed     3     4  1.91     5  0.37  molprobity     1  True   
 72   72  m         -93.3     4.9  Favored     4     6  0.90     8  0.90  molprobity     1  True   
 73   73  m        -107.7   -34.9  Favored     4     6  0.69     8  0.88  molprobity     1  True   
 74   74  t-20     -178.3   120.7  Allowed     6     8  0.47    11  0.51  molprobity     1  True   
 75   75  ?         123.3    45.2  Allowed     3     4  0.75     5  0.36  molprobity     1  True   
 76   76  tpp180   -160.9   171.4  Favored    13    11  0.83    14  0.85  molprobity     1  True   
 77   77  ?         -71.8    67.9  Allowed     3     4  0.47     5  0.18  molprobity     1  True   
 78   78  ?          78.4  -174.0  Favored     3     4  1.37     5  0.43  molprobity     1  True   
 79   79  t         -92.9   -34.4  Favored     4     6  0.88     8  0.57  molprobity     1  True   
 80   80  t         -85.5    79.1  Favored     5     6  1.33     8  0.96  molprobity     1  True   
 81   81  t        -148.7   164.4  Favored     5     6  1.47     8  0.75  molprobity     1  True   
 82   82  ttt180    -73.6   -40.0  Favored    13    11  0.52    14  0.86  molprobity     1  True   
 83   83  t90       -59.6   -54.4  Favored    10    16  0.80    23  0.42  molprobity     1  True   
 84   84  m         -76.3   -10.2  Favored     4     6  1.70     8  0.69  molprobity     1  True   
 85   85  ttm180    -82.8   -40.6  Favored    13    11  0.89    14  0.56  molprobity     1  True   
 86   86  t70       -88.2   -45.7  Favored     4     8  0.46    11  0.95  molprobity     1  True   
 87   87  m-70     -101.7    31.6  Favored     7    11  0.54    15  0.59  molprobity     1  True   
 88   88  ?         -53.8   133.2  Favored     5     5  0.59     7  0.70  molprobity     1  True   
 89   89  tpt180   -108.0   -58.6  Allowed    13    11  0.58    14  0.47  molprobity     1  True   
 90   90  m        -109.9   -67.3  Allowed     4     6  0.66     8  0.51  molprobity     1  True   
 91   91  t        -109.5   101.4  Favored     4     5  0.78     5  0.61  molprobity     1  True   
 92   92  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 93   93  mtm180        ?       ?  ?          15    11  0.45    14  0.87  molprobity     ?  False  
 94   94  ?         -81.6    58.2  Favored     3     4  1.60     5  0.65  molprobity     1  True   
 95   95  m         -99.1    15.6  Favored     4     6  1.16     8  1.35  molprobity     1  True   
 96   96  m        -125.7   -50.3  Allowed     4     6  1.04     8  1.08  molprobity     1  True   
 97   97  t30      -162.9   116.5  Allowed     6     8  0.60    11  0.55  molprobity     1  True   
 98   98  ?         150.8   -48.0  Allowed     3     4  0.43     5  0.45  molprobity     1  True   
 99   99  mtp180    -88.6  -169.4  Favored    13    11  0.49    14  0.61  molprobity     1  True   
100  100  ?         -51.2   -40.0  Favored     3     4  0.36     5  0.55  molprobity     1  True   
101  101  ?         144.4  -158.0  Favored     3     4  0.93     5  0.44  molprobity     1  True   
102  102  m         -88.4   -18.2  Favored     4     6  0.76     8  0.42  molprobity     1  True   
103  103  t         -90.8   -27.0  Favored     5     6  0.77     8  0.73  molprobity     1  True   
104  104  m         -63.1   126.5  Favored     5     6  1.10     8  0.95  molprobity     1  True   
105  105  ptm180    -51.5   -34.3  Favored    13    11  0.41    14  0.64  molprobity     1  True   
106  106  t90       -62.4   -56.3  Favored    10    16  0.83    23  0.61  molprobity     1  True   
107  107  m         -83.1   -10.5  Favored     4     6  1.72     8  0.68  molprobity     1  True   
108  108  ttp180    -79.0   -29.7  Favored    13    11  0.57    14  0.76  molprobity     1  True   
109  109  t70       -94.9   -52.5  Favored     4     8  0.43    11  1.00  molprobity     1  True   
110  110  m-70      -91.6    29.5  Allowed     7    11  0.53    15  0.62  molprobity     1  True   
111  111  ?         -52.4   118.0  Favored     5     5  0.44     7  0.44  molprobity     1  True   
112  112  tpt180    -93.4   -39.2  Favored    13    11  0.66    14  0.57  molprobity     1  True   
113  113  m        -118.7   -70.1  Allowed     4     6  0.42     8  0.20  molprobity     1  True   
114  114  t         -96.7   -80.9  Allowed     4     5  0.38     5  0.52  molprobity     1  True   
115  115  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
116  116  mmt180        ?       ?  ?          15    11  0.60    14  1.08  molprobity     ?  False  
117  117  ?         -70.5     5.8  Favored     3     4  0.98     5  0.24  molprobity     1  True   
118  118  m         -80.3    -2.0  Favored     4     6  0.73     8  0.58  molprobity     1  True   
119  119  m        -112.2   -37.6  Favored     4     6  0.82     8  0.59  molprobity     1  True   
120  120  t-20     -162.6   110.5  Allowed     6     8  0.76    11  0.40  molprobity     1  True   
121  121  ?         126.5  -140.3  Favored     3     4  0.91     5  0.85  molprobity     1  True   
122  122  tpm_?      53.9  -168.8  Allowed    13    11  0.87    14  0.98  molprobity     1  True   
123  123  ?         -86.6   -49.9  Favored     3     4  0.83     5  0.68  molprobity     1  True   
124  124  ?        -166.1   175.3  Favored     3     4  0.96     5  0.39  molprobity     1  True   
125  125  m         -77.7   -24.3  Favored     4     6  0.43     8  0.53  molprobity     1  True   
126  126  t         -72.1   -22.1  Favored     5     6  0.69     8  0.53  molprobity     1  True   
127  127  m         -64.3   135.5  Favored     5     6  0.97     8  1.06  molprobity     1  True   
128  128  ptp180    -56.8   -21.2  Favored    13    11  0.85    14  0.71  molprobity     1  True   
129  129  t90       -62.6   -51.1  Favored    10    16  0.92    23  0.62  molprobity     1  True   
130  130  m         -81.0   -15.3  Favored     4     6  1.58     8  0.47  molprobity     1  True   
131  131  mmm180    -69.2   -30.3  Favored    13    11  0.54    14  0.76  molprobity     1  True   
132  132  t70       -96.3   -51.4  Favored     4     8  0.29    11  0.96  molprobity     1  True   
133  133  m-70      -87.9    30.6  Allowed     7    11  0.72    15  0.56  molprobity     1  True   
134  134  ?         -66.1    90.5  Allowed     5     5  0.80     7  0.41  molprobity     1  True   
135  135  mmm180    -84.6   -53.8  Favored    13    11  0.71    14  0.43  molprobity     1  True   
136  136  m        -108.5   -63.2  Allowed     4     6  0.63     8  0.38  molprobity     1  True   
137  137  t        -122.0   100.3  Favored     4     5  0.41     5  0.53  molprobity     1  True   
138  138  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
139  139  tpp180        ?       ?  ?          15    11  0.53    14  0.63  molprobity     ?  False  
140  140  ?         -77.4    46.3  Favored     3     4  2.03     5  0.79  molprobity     1  True   
141  141  m         -91.0     3.0  Favored     4     6  0.30     8  0.99  molprobity     1  True   
142  142  m        -126.6   -11.7  Favored     4     6  0.89     8  0.91  molprobity     1  True   
143  143  t-20     -134.6   -25.3  Allowed     6     8  0.75    11  0.75  molprobity     1  True   
144  144  ?         150.6   101.9  Allowed     3     4  1.11     5  0.80  molprobity     1  True   
145  145  mmp_?    -133.9  -166.5  Allowed    13    11  0.71    14  0.96  molprobity     1  True   
146  146  ?         -80.9    56.2  Favored     3     4  0.46     5  0.26  molprobity     1  True   
147  147  ?          79.0   171.8  Favored     3     4  0.74     5  0.26  molprobity     1  True   
148  148  m         -80.7   -16.4  Favored     4     6  0.37     8  0.45  molprobity     1  True   
149  149  t         -83.4    -3.0  Favored     5     6  0.96     8  0.50  molprobity     1  True   
150  150  t         -64.0   147.6  Favored     5     6  1.01     8  0.58  molprobity     1  True   
151  151  mtt180    -68.0   -24.7  Favored    13    11  0.44    14  0.49  molprobity     1  True   
152  152  t90       -69.9   -56.4  Favored    10    16  0.74    23  0.61  molprobity     1  True   
153  153  m         -71.6   -19.6  Favored     4     6  1.31     8  0.55  molprobity     1  True   
154  154  mtp180    -74.8   -41.7  Favored    13    11  0.48    14  0.65  molprobity     1  True   
155  155  t70       -87.1   -53.4  Favored     4     8  0.59    11  0.95  molprobity     1  True   
156  156  m-70     -102.8    36.6  Favored     7    11  0.54    15  0.84  molprobity     1  True   
157  157  ?         -48.6   108.1  Allowed     5     5  0.57     7  0.62  molprobity     1  True   
158  158  tpp180    -83.1   -35.0  Favored    13    11  0.59    14  0.53  molprobity     1  True   
159  159  m        -142.6   -74.0  Allowed     4     6  0.44     8  0.46  molprobity     1  True   
160  160  t        -108.0    95.0  Favored     4     5  0.57     5  0.60  molprobity     1  True   
161  161  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
162  162  mpt_?         ?       ?  ?          15    11  0.63    14  1.25  molprobity     ?  False  
163  163  ?         -86.6    39.0  Favored     3     4  1.31     5  0.66  molprobity     1  True   
164  164  m         -94.7    15.4  Favored     4     6  1.10     8  0.64  molprobity     1  True   
165  165  m        -126.0   -37.1  Favored     4     6  0.89     8  1.04  molprobity     1  True   
166  166  t-20     -173.5   114.5  Allowed     6     8  0.61    11  0.59  molprobity     1  True   
167  167  ?         126.1    37.3  Allowed     3     4  0.64     5  0.39  molprobity     1  True   
168  168  tpp180   -153.3   153.2  Favored    13    11  0.62    14  0.77  molprobity     1  True   
169  169  ?         -72.2    64.4  Allowed     3     4  0.65     5  0.39  molprobity     1  True   
170  170  ?          99.2   138.8  Favored     3     4  1.02     5  0.40  molprobity     1  True   
171  171  m         -78.3   -23.8  Favored     4     6  0.48     8  0.56  molprobity     1  True   
172  172  t         -85.1    -5.7  Favored     5     6  0.72     8  0.46  molprobity     1  True   
173  173  t         -70.3   154.0  Favored     5     6  0.83     8  0.64  molprobity     1  True   
174  174  ttm180    -62.2   -27.6  Favored    13    11  0.57    14  0.57  molprobity     1  True   
175  175  t90       -61.4   -63.1  Allowed    10    16  0.80    23  0.38  molprobity     1  True   
176  176  m         -76.3   -15.5  Favored     4     6  1.47     8  0.50  molprobity     1  True   
177  177  tpp180    -75.6   -23.3  Favored    13    11  0.76    14  0.48  molprobity     1  True   
178  178  t70      -103.9   -45.4  Favored     4     8  0.38    11  0.92  molprobity     1  True   
179  179  m-70      -93.7    28.3  Favored     7    11  0.73    15  0.63  molprobity     1  True   
180  180  ?         -53.9   123.4  Favored     5     5  0.61     7  0.61  molprobity     1  True   
181  181  tpp180   -108.4   -48.2  Favored    13    11  0.78    14  0.68  molprobity     1  True   
182  182  m        -117.5   -63.9  Allowed     4     6  0.65     8  0.39  molprobity     1  True   
183  183  p        -110.8   104.3  Favored     4     5  0.73     5  0.60  molprobity     1  True   
184  184  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
185  185  mmt180        ?       ?  ?          15    11  0.74    14  0.52  molprobity     ?  False  
186  186  ?         -66.6   -13.7  Favored     3     4  1.18     5  0.54  molprobity     1  True   
187  187  m         -81.6    10.8  Favored     4     6  0.93     8  1.05  molprobity     1  True   
188  188  m        -125.8   -39.0  Favored     4     6  0.84     8  0.64  molprobity     1  True   
189  189  t-20     -171.3   119.0  Allowed     6     8  0.55    11  0.38  molprobity     1  True   
190  190  ?          90.2    70.4  Allowed     3     4  0.82     5  0.46  molprobity     1  True   
191  191  tpm_?    -134.6  -177.0  Favored    13    11  0.84    14  1.13  molprobity     1  True   
192  192  ?         -69.9   -31.4  Favored     3     4  0.59     5  0.83  molprobity     1  True   
193  193  ?         176.4   153.4  Favored     3     4  1.45     5  0.74  molprobity     1  True   
194  194  t         -75.2   -15.8  Favored     4     6  0.61     8  0.47  molprobity     1  True   
195  195  t         -83.2    -1.8  Favored     5     6  0.67     8  0.39  molprobity     1  True   
196  196  t         -69.1   155.9  Favored     5     6  0.81     8  0.61  molprobity     1  True   
197  197  ttm180    -67.0   -27.1  Favored    13    11  0.59    14  0.67  molprobity     1  True   
198  198  t90       -59.9   -48.9  Favored    10    16  0.76    23  0.55  molprobity     1  True   
199  199  m         -79.2   -12.3  Favored     4     6  1.76     8  0.73  molprobity     1  True   
200  200  ttm180    -83.6   -38.3  Favored    13    11  0.79    14  0.69  molprobity     1  True   
201  201  t70       -91.8   -42.4  Favored     4     8  0.45    11  0.90  molprobity     1  True   
202  202  m-70     -106.6    38.4  Favored     7    11  0.58    15  0.65  molprobity     1  True   
203  203  ?         -60.3    97.8  Allowed     5     5  0.77     7  0.46  molprobity     1  True   
204  204  mmm180    -79.2   -58.1  Favored    13    11  0.72    14  0.57  molprobity     1  True   
205  205  m        -107.5   -69.7  Allowed     4     6  0.46     8  0.36  molprobity     1  True   
206  206  p         -99.9   115.8  Favored     4     5  0.75     5  1.03  molprobity     1  True   
207  207  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
208  208  tpp180        ?       ?  ?          15    11  0.60    14  0.72  molprobity     ?  False  
209  209  ?         -77.1    46.8  Favored     3     4  1.86     5  0.70  molprobity     1  True   
210  210  m         -85.0     2.0  Favored     4     6  0.50     8  0.69  molprobity     1  True   
211  211  m        -116.2   -26.8  Favored     4     6  0.31     8  0.73  molprobity     1  True   
212  212  t-20      -82.1   -52.2  Favored     6     8  0.49    11  0.29  molprobity     1  True   
213  213  ?         143.2    70.5  OUTLIER     3     4  0.70     5  0.36  molprobity     1  True   
214  214  ttp85     -81.7   177.2  Favored    13    11  0.65    14  0.97  molprobity     1  True   
215  215  ?         -73.9    74.9  Allowed     3     4  0.66     5  0.17  molprobity     1  True   
216  216  ?          95.5   132.3  Favored     3     4  1.06     5  0.77  molprobity     1  True   
217  217  m         -93.3   -22.5  Favored     4     6  0.45     8  0.49  molprobity     1  True   
218  218  t         -82.4   -20.6  Favored     5     6  0.84     8  0.52  molprobity     1  True   
219  219  t         -67.7   154.2  Favored     5     6  1.06     8  0.73  molprobity     1  True   
220  220  mtm180    -58.9   -27.1  Favored    13    11  0.56    14  0.67  molprobity     1  True   
221  221  OUTLIER   -67.2   -61.1  Favored    10    16  0.68    23  0.56  molprobity     1  True   
222  222  m         -74.6   -10.4  Favored     4     6  1.53     8  0.48  molprobity     1  True   
223  223  tpp180    -78.8   -46.0  Favored    13    11  0.63    14  0.38  molprobity     1  True   
224  224  t70       -87.0   -53.0  Favored     4     8  0.69    11  0.90  molprobity     1  True   
225  225  m-70      -95.8    30.4  Favored     7    11  0.54    15  0.65  molprobity     1  True   
226  226  ?         -59.1   116.0  Favored     5     5  0.78     7  0.64  molprobity     1  True   
227  227  tpp180    -89.9   -34.1  Favored    13    11  0.80    14  0.52  molprobity     1  True   
228  228  m        -136.7   -71.0  Allowed     4     6  0.43     8  0.26  molprobity     1  True   
229  229  t         -87.5    95.7  Favored     4     5  0.51     5  0.45  molprobity     1  True   
230  230  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
231  231  ptp180        ?       ?  ?          15    11  0.53    14  0.80  molprobity     ?  False  
232  232  ?         -87.7    56.0  Favored     3     4  1.89     5  0.35  molprobity     1  True   
233  233  m         -96.2    13.1  Favored     4     6  1.02     8  0.78  molprobity     1  True   
234  234  m        -125.8   -39.3  Favored     4     6  0.73     8  1.00  molprobity     1  True   
235  235  t-20     -170.8   116.2  Allowed     6     8  0.54    11  0.54  molprobity     1  True   
236  236  ?         141.8    16.9  Allowed     3     4  0.79     5  0.36  molprobity     1  True   
237  237  mmp_?    -125.2   179.3  Favored    13    11  0.57    14  0.94  molprobity     1  True   
238  238  ?         -75.3   -31.5  Favored     3     4  0.61     5  0.51  molprobity     1  True   
239  239  ?        -178.3   172.9  Favored     3     4  1.05     5  0.50  molprobity     1  True   
240  240  m         -84.6   -13.2  Favored     4     6  0.28     8  0.21  molprobity     1  True   
241  241  t         -84.9    -0.4  Favored     5     6  0.73     8  0.45  molprobity     1  True   
242  242  t         -71.4   152.0  Favored     5     6  0.75     8  0.66  molprobity     1  True   
243  243  ptm180    -65.7   -24.4  Favored    13    11  0.58    14  0.75  molprobity     1  True   
244  244  OUTLIER   -66.2   -58.3  Favored    10    16  0.70    23  0.47  molprobity     1  True   
245  245  m         -75.3   -16.2  Favored     4     6  1.22     8  0.72  molprobity     1  True   
246  246  ttm180    -66.6   -38.2  Favored    13    11  0.65    14  0.75  molprobity     1  True   
247  247  t70      -101.7   -52.3  Favored     4     8  0.54    11  0.89  molprobity     1  True   
248  248  m-70      -96.7    29.7  Favored     7    11  0.68    15  0.70  molprobity     1  True   
249  249  ?         -55.1   129.7  Favored     5     5  0.64     7  0.59  molprobity     1  True   
250  250  mmp_?    -108.1   -43.4  Favored    13    11  0.73    14  0.71  molprobity     1  True   
251  251  m        -121.5   -56.2  Allowed     4     6  0.50     8  0.33  molprobity     1  True   
252  252  t        -117.1   103.9  Favored     4     5  0.45     5  0.54  molprobity     1  True   
253  253  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
254  254  mmm180        ?       ?  ?          15    11  0.59    14  0.56  molprobity     ?  False  
255  255  ?         -78.2    35.9  Allowed     3     4  1.10     5  0.36  molprobity     1  True   
256  256  m         -95.5    11.6  Favored     4     6  0.85     8  1.01  molprobity     1  True   
257  257  m        -125.7   -45.0  Allowed     4     6  0.79     8  0.98  molprobity     1  True   
258  258  t30      -164.5   117.0  Allowed     6     8  0.88    11  0.48  molprobity     1  True   
259  259  ?         134.1  -151.7  Favored     3     4  0.95     5  0.80  molprobity     1  True   
260  260  tpm_?      54.6  -152.0  Allowed    13    11  0.89    14  1.22  molprobity     1  True   
261  261  ?        -103.8    37.0  Favored     3     4  0.88     5  1.03  molprobity     1  True   
262  262  ?          88.7  -167.7  Favored     3     4  1.42     5  0.49  molprobity     1  True   
263  263  m         -80.6    -8.0  Favored     4     6  0.35     8  0.29  molprobity     1  True   
264  264  t         -68.3   -35.2  Favored     5     6  0.64     8  0.37  molprobity     1  True   
265  265  m         -56.2   131.2  Favored     5     6  0.74     8  0.95  molprobity     1  True   
266  266  ptp85     -50.0   -30.8  Favored    13    11  0.71    14  0.72  molprobity     1  True   
267  267  t90       -62.5   -63.2  Allowed    10    16  0.70    23  0.58  molprobity     1  True   
268  268  m         -75.1   -19.0  Favored     4     6  1.41     8  0.54  molprobity     1  True   
269  269  ttm180    -66.7   -36.0  Favored    13    11  0.61    14  0.65  molprobity     1  True   
270  270  t70       -90.8   -53.6  Favored     4     8  0.43    11  0.92  molprobity     1  True   
271  271  m-70      -94.6    33.7  Allowed     7    11  0.56    15  0.68  molprobity     1  True   
272  272  ?         -62.5    91.2  OUTLIER     5     5  0.55     7  0.47  molprobity     1  True   
273  273  mtp180    -77.3   -41.5  Favored    13    11  0.54    14  0.47  molprobity     1  True   
274  274  m        -101.0   -53.5  Favored     4     6  0.18     8  0.60  molprobity     1  True   
275  275  t         -59.2    96.9  OUTLIER     4     5  0.24     5  0.62  molprobity     1  True   
276  276  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
277  277  ptp180        ?       ?  ?          15    11  0.55    14  0.90  molprobity     ?  False  
278  278  ?        -126.5    40.2  Allowed     3     4  1.92     5  0.33  molprobity     1  True   
279  279  m         -89.8     7.2  Favored     4     6  0.94     8  0.69  molprobity     1  True   
280  280  m        -112.8   -42.0  Favored     4     6  0.80     8  1.11  molprobity     1  True   
281  281  OUTLIER  -179.2   119.5  Allowed     6     8  0.75    11  0.78  molprobity     1  True   
282  282  ?         150.0   -17.8  Allowed     3     4  0.48     5  0.16  molprobity     1  True   
283  283  mmp_?    -100.8   166.4  Favored    13    11  0.67    14  0.86  molprobity     1  True   
284  284  ?         -87.3    69.1  Favored     3     4  1.08     5  0.45  molprobity     1  True   
285  285  ?         103.3   148.7  Favored     3     4  1.09     5  0.45  molprobity     1  True   
286  286  t         -80.4   -19.5  Favored     4     6  0.54     8  0.45  molprobity     1  True   
287  287  t         -86.5    -5.0  Favored     5     6  0.71     8  0.30  molprobity     1  True   
288  288  t         -64.0   148.6  Favored     5     6  0.77     8  0.55  molprobity     1  True   
289  289  ptm180    -54.4   -34.3  Favored    13    11  0.51    14  0.65  molprobity     1  True   
290  290  t90       -64.8   -50.0  Favored    10    16  0.77    23  0.53  molprobity     1  True   
291  291  m         -76.8   -23.4  Favored     4     6  1.13     8  0.71  molprobity     1  True   
292  292  ttm180    -68.5   -31.4  Favored    13    11  0.63    14  0.62  molprobity     1  True   
293  293  t70      -102.5   -51.0  Favored     4     8  0.54    11  0.97  molprobity     1  True   
294  294  m-70     -101.2    34.5  Favored     7    11  0.57    15  0.72  molprobity     1  True   
295  295  ?         -50.1   125.5  Favored     5     5  0.66     7  0.45  molprobity     1  True   
296  296  mmm180   -108.3   -58.0  Favored    13    11  0.58    14  0.42  molprobity     1  True   
297  297  m        -104.1   -58.5  Allowed     4     6  0.58     8  0.34  molprobity     1  True   
298  298  t         -92.1   102.6  Favored     4     5  0.59     5  0.52  molprobity     1  True   
299  299  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
300  300  ptm180        ?       ?  ?          15    11  0.56    14  0.82  molprobity     ?  False  
301  301  ?        -111.4    51.4  Allowed     3     4  1.33     5  0.82  molprobity     1  True   
302  302  m         -96.7    13.3  Favored     4     6  1.16     8  0.94  molprobity     1  True   
303  303  m        -126.3   -37.0  Favored     4     6  0.66     8  0.98  molprobity     1  True   
304  304  t30      -174.3   122.2  Allowed     6     8  0.59    11  0.61  molprobity     1  True   
305  305  ?         150.5   -37.9  Allowed     3     4  0.48     5  0.28  molprobity     1  True   
306  306  mmp_?     -80.2   179.8  Favored    13    11  0.45    14  0.67  molprobity     1  True   
307  307  ?         -83.2    66.2  Favored     3     4  0.85     5  0.65  molprobity     1  True   
308  308  ?          93.6   159.7  Favored     3     4  1.29     5  0.39  molprobity     1  True   
309  309  m         -87.9    -4.5  Favored     4     6  0.51     8  0.31  molprobity     1  True   
310  310  t         -92.0    12.9  Favored     5     6  0.99     8  0.44  molprobity     1  True   
311  311  p         -76.2   140.3  Favored     5     6  1.08     8  0.92  molprobity     1  True   
312  312  mtt180    -57.5   -32.1  Favored    13    11  0.53    14  0.65  molprobity     1  True   
313  313  t90       -58.8   -54.3  Favored    10    16  0.77    23  0.62  molprobity     1  True   
314  314  m         -81.7   -11.1  Favored     4     6  1.91     8  0.83  molprobity     1  True   
315  315  mtp180    -78.7   -43.4  Favored    13    11  0.60    14  0.54  molprobity     1  True   
316  316  t70       -80.2   -40.8  Favored     4     8  0.35    11  0.86  molprobity     1  True   
317  317  m-70     -106.5    34.5  Favored     7    11  0.52    15  0.69  molprobity     1  True   
318  318  ?         -58.0   131.6  Favored     5     5  0.72     7  0.70  molprobity     1  True   
319  319  mmt180   -108.8   -49.1  Favored    13    11  0.57    14  0.74  molprobity     1  True   
320  320  m        -124.4   -56.0  Allowed     4     6  0.65     8  0.47  molprobity     1  True   
321  321  p        -121.6   104.1  Favored     4     5  0.88     5  0.66  molprobity     1  True   
322  322  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
323  323  ptm180        ?       ?  ?          15    11  0.71    14  0.52  molprobity     ?  False  
324  324  ?         -78.3    24.4  Favored     3     4  1.55     5  0.30  molprobity     1  True   
325  325  m         -80.8    -6.7  Favored     4     6  0.81     8  0.69  molprobity     1  True   
326  326  m         -95.7   -50.4  Favored     4     6  0.86     8  1.09  molprobity     1  True   
327  327  t-20     -171.0   116.6  Allowed     6     8  0.52    11  0.76  molprobity     1  True   
328  328  ?         149.8   -37.1  Allowed     3     4  0.42     5  0.14  molprobity     1  True   
329  329  mmm180    -88.3   178.4  Favored    13    11  0.57    14  0.46  molprobity     1  True   
330  330  ?         -78.7    67.4  Favored     3     4  0.48     5  0.35  molprobity     1  True   
331  331  ?          83.8  -146.2  Favored     3     4  1.09     5  0.44  molprobity     1  True   
332  332  m        -110.6   -13.7  Favored     4     6  0.40     8  0.94  molprobity     1  True   
333  333  m         -73.9    15.9  Allowed     5     6  1.34     8  1.65  molprobity     1  True   
334  334  t        -105.9   156.1  Favored     5     6  0.65     8  0.52  molprobity     1  True   
335  335  mtm180    -62.4   -29.6  Favored    13    11  0.70    14  0.45  molprobity     1  True   
336  336  t90       -59.0   -40.1  Favored    10    16  0.78    23  0.67  molprobity     1  True   
337  337  m         -88.1   -10.2  Favored     4     6  1.66     8  0.74  molprobity     1  True   
338  338  mmp_?     -84.6   -25.9  Favored    13    11  0.57    14  0.63  molprobity     1  True   
339  339  t70      -106.8   -41.0  Favored     4     8  0.56    11  0.95  molprobity     1  True   
340  340  m-70     -110.9    39.5  Favored     7    11  0.57    15  0.65  molprobity     1  True   
341  341  ?         -68.6   101.2  Allowed     5     5  0.78     7  0.43  molprobity     1  True   
342  342  tpt180    -89.0   -48.0  Favored    13    11  0.72    14  0.68  molprobity     1  True   
343  343  m        -105.9   -66.3  Allowed     4     6  0.54     8  0.17  molprobity     1  True   
344  344  t        -134.1   101.2  Favored     4     5  0.32     5  0.37  molprobity     1  True   
345  345  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
346  346  OUTLIER       ?       ?  ?          15    11  0.65    14  0.89  molprobity     ?  False  
347  347  ?         -75.1     5.8  Favored     3     4  1.03     5  0.26  molprobity     1  True   
348  348  m         -84.6    19.0  Favored     4     6  1.20     8  0.85  molprobity     1  True   
349  349  m        -124.4   -44.1  Favored     4     6  0.94     8  1.14  molprobity     1  True   
350  350  t-20      178.6   126.5  Allowed     6     8  0.67    11  0.72  molprobity     1  True   
351  351  ?         132.3    -3.0  Favored     3     4  0.61     5  0.21  molprobity     1  True   
352  352  tpm_?     -96.6   178.2  Favored    13    11  0.61    14  1.17  molprobity     1  True   
353  353  ?         -77.8   -11.6  Favored     3     4  0.47     5  0.48  molprobity     1  True   
354  354  ?         176.5   150.5  Favored     3     4  1.38     5  0.50  molprobity     1  True   
355  355  m         -72.2   -20.7  Favored     4     6  0.87     8  0.60  molprobity     1  True   
356  356  t        -106.6    15.9  Favored     5     6  1.03     8  0.54  molprobity     1  True   
357  357  t         -70.0   157.8  Favored     5     6  0.71     8  0.63  molprobity     1  True   
358  358  ttm180    -55.8   -39.0  Favored    13    11  0.56    14  0.95  molprobity     1  True   
359  359  t90       -57.9   -41.7  Favored    10    16  0.83    23  0.57  molprobity     1  True   
360  360  m         -86.1   -18.9  Favored     4     6  1.43     8  0.51  molprobity     1  True   
361  361  mmm180    -65.0   -33.3  Favored    13    11  0.54    14  0.84  molprobity     1  True   
362  362  t70       -91.8   -52.9  Favored     4     8  0.41    11  0.88  molprobity     1  True   
363  363  m-70      -95.0    28.4  Favored     7    11  0.76    15  0.52  molprobity     1  True   
364  364  ?         -58.5   108.4  Allowed     5     5  0.53     7  0.40  molprobity     1  True   
365  365  tpm_?    -104.8   -58.0  Allowed    13    11  0.68    14  0.68  molprobity     1  True   
366  366  m        -106.3   -56.7  Favored     4     6  0.58     8  0.59  molprobity     1  True   
367  367  t         -92.2   -86.7  Allowed     4     5  0.74     5  1.02  molprobity     1  True   
368  368  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
369  369  ptp180        ?       ?  ?          15    11  0.82    14  0.54  molprobity     ?  False  
370  370  ?         -98.2    46.0  Allowed     3     4  1.31     5  0.58  molprobity     1  True   
371  371  m         -95.6    17.3  Favored     4     6  1.19     8  0.79  molprobity     1  True   
372  372  m        -121.2   -45.7  Favored     4     6  0.86     8  1.06  molprobity     1  True   
373  373  t30      -177.5   122.6  Allowed     6     8  0.57    11  0.54  molprobity     1  True   
374  374  ?         148.5   -30.2  Allowed     3     4  0.47     5  0.18  molprobity     1  True   
375  375  tpm_?     -82.1   148.6  Favored    13    11  0.77    14  0.73  molprobity     1  True   
376  376  ?         -74.7    82.7  Allowed     3     4  0.85     5  0.49  molprobity     1  True   
377  377  ?          96.7   118.9  Favored     3     4  1.67     5  0.51  molprobity     1  True   
378  378  t         -82.9   -22.0  Favored     4     6  0.50     8  0.46  molprobity     1  True   
379  379  t         -83.4    -1.7  Favored     5     6  0.79     8  0.53  molprobity     1  True   
380  380  t         -70.6   156.7  Favored     5     6  0.52     8  0.70  molprobity     1  True   
381  381  ttm180    -52.9   -37.0  Favored    13    11  0.56    14  0.73  molprobity     1  True   
382  382  OUTLIER   -58.8   -56.4  Favored    10    16  0.73    23  0.42  molprobity     1  True   
383  383  m         -82.2   -21.3  Favored     4     6  1.27     8  0.64  molprobity     1  True   
384  384  ttm180    -66.8   -31.7  Favored    13    11  0.63    14  0.51  molprobity     1  True   
385  385  t70       -99.1   -53.1  Favored     4     8  0.48    11  0.79  molprobity     1  True   
386  386  m-70      -96.3    31.7  Favored     7    11  0.68    15  0.81  molprobity     1  True   
387  387  ?         -47.6   125.8  Favored     5     5  0.63     7  0.53  molprobity     1  True   
388  388  mmp_?    -105.1   -42.4  Favored    13    11  0.54    14  0.72  molprobity     1  True   
389  389  m        -131.1   -34.9  Allowed     4     6  0.56     8  0.76  molprobity     1  True   
390  390  t        -110.0   102.1  Favored     4     5  0.52     5  0.95  molprobity     1  True   
391  391  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
392  392  ttm180        ?       ?  ?          15    11  0.64    14  1.14  molprobity     ?  False  
393  393  ?         -72.9    42.7  Allowed     3     4  1.33     5  0.77  molprobity     1  True   
394  394  m         -90.4    12.0  Favored     4     6  1.00     8  0.67  molprobity     1  True   
395  395  m        -118.0   -38.1  Favored     4     6  0.91     8  0.99  molprobity     1  True   
396  396  t-20     -170.7   118.1  Allowed     6     8  0.66    11  0.54  molprobity     1  True   
397  397  ?         140.4   -27.9  Favored     3     4  0.58     5  0.37  molprobity     1  True   
398  398  tpm_?    -100.4   172.5  Favored    13    11  0.66    14  0.83  molprobity     1  True   
399  399  ?         -55.9   -61.5  Favored     3     4  0.64     5  0.65  molprobity     1  True   
400  400  ?        -170.0   172.9  Favored     3     4  1.33     5  0.59  molprobity     1  True   
401  401  m         -77.2   -25.1  Favored     4     6  0.49     8  0.50  molprobity     1  True   
402  402  t         -74.4   -25.8  Favored     5     6  0.64     8  0.37  molprobity     1  True   
403  403  t         -63.0   154.1  Favored     5     6  0.77     8  0.40  molprobity     1  True   
404  404  mmt180    -69.8   -22.9  Favored    13    11  0.54    14  0.76  molprobity     1  True   
405  405  t90       -68.2   -60.9  Favored    10    16  0.81    23  0.35  molprobity     1  True   
406  406  m         -76.2   -12.4  Favored     4     6  1.50     8  0.54  molprobity     1  True   
407  407  ttm180    -73.3   -30.7  Favored    13    11  0.54    14  0.60  molprobity     1  True   
408  408  t70      -103.3   -49.9  Favored     4     8  0.43    11  0.90  molprobity     1  True   
409  409  m-70     -100.0    32.3  Favored     7    11  0.69    15  0.65  molprobity     1  True   
410  410  ?         -67.5   121.9  Favored     5     5  0.33     7  0.76  molprobity     1  True   
411  411  ttp180    -86.8   -37.8  Favored    13    11  0.82    14  0.61  molprobity     1  True   
412  412  m        -122.8   -74.1  Allowed     4     6  0.56     8  0.27  molprobity     1  True   
413  413  t        -114.7   107.5  Favored     4     5  0.49     5  0.54  molprobity     1  True   
414  414  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
415  415  mmp_?         ?       ?  ?          15    11  0.77    14  0.59  molprobity     ?  False  
416  416  ?        -107.6    63.5  Allowed     3     4  2.18     5  0.31  molprobity     1  True   
417  417  m        -111.0    18.8  Favored     4     6  1.29     8  1.22  molprobity     1  True   
418  418  m        -126.2   -44.6  Allowed     4     6  0.73     8  1.28  molprobity     1  True   
419  419  t-20     -163.9   118.3  Allowed     6     8  0.75    11  0.61  molprobity     1  True   
420  420  ?         150.4   -39.1  Allowed     3     4  0.46     5  0.68  molprobity     1  True   
421  421  mtp180    -90.0   168.0  Favored    13    11  0.83    14  0.84  molprobity     1  True   
422  422  ?         -79.3    73.9  Favored     3     4  0.80     5  0.28  molprobity     1  True   
423  423  ?         101.5   152.1  Favored     3     4  1.32     5  0.43  molprobity     1  True   
424  424  m         -85.9   -13.3  Favored     4     6  0.40     8  0.55  molprobity     1  True   
425  425  t         -83.9    -2.8  Favored     5     6  0.88     8  0.58  molprobity     1  True   
426  426  t         -67.3   145.6  Favored     5     6  0.89     8  0.67  molprobity     1  True   
427  427  mmt180    -61.2   -41.2  Favored    13    11  0.49    14  0.53  molprobity     1  True   
428  428  t90       -60.9   -48.6  Favored    10    16  0.69    23  0.67  molprobity     1  True   
429  429  m         -81.2   -13.9  Favored     4     6  1.67     8  0.73  molprobity     1  True   
430  430  tmm_?     -82.4   -42.8  Favored    13    11  0.78    14  0.76  molprobity     1  True   
431  431  t70       -81.0   -52.8  Favored     4     8  0.54    11  0.87  molprobity     1  True   
432  432  m-70     -100.8    36.1  Favored     7    11  0.44    15  0.70  molprobity     1  True   
433  433  ?         -54.8   118.2  Favored     5     5  0.75     7  0.54  molprobity     1  True   
434  434  mmt180    -89.1   -35.1  Favored    13    11  0.62    14  0.55  molprobity     1  True   
435  435  m        -139.0   -51.4  Allowed     4     6  0.37     8  0.67  molprobity     1  True   
436  436  t        -131.0   101.0  Favored     4     5  0.49     5  0.73  molprobity     1  True   
437  437  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
438  438  ptp180        ?       ?  ?          15    11  0.51    14  0.50  molprobity     ?  False  
439  439  ?        -122.9    37.0  Favored     3     4  1.97     5  0.44  molprobity     1  True   
440  440  m         -89.5     4.6  Favored     4     6  1.02     8  0.60  molprobity     1  True   
441  441  m        -119.6   -26.5  Favored     4     6  0.81     8  0.88  molprobity     1  True   
442  442  t-20      179.7   113.4  OUTLIER     6     8  0.55    11  0.72  molprobity     1  True   
443  443  ?         143.9   -43.5  Allowed     3     4  0.64     5  0.32  molprobity     1  True   
444  444  tpp180    -86.4   142.0  Favored    13    11  0.66    14  0.72  molprobity     1  True   
445  445  ?         -73.7    83.6  Allowed     3     4  0.88     5  0.27  molprobity     1  True   
446  446  ?         108.0   141.2  Favored     3     4  1.35     5  0.33  molprobity     1  True   
447  447  m         -73.0   -32.9  Favored     4     6  0.88     8  0.57  molprobity     1  True   
448  448  t         -98.5    17.4  Favored     5     6  0.82     8  0.45  molprobity     1  True   
449  449  p         -69.1   150.5  Favored     5     6  0.95     8  0.86  molprobity     1  True   
450  450  mtp180    -54.0   -29.3  Favored    13    11  0.61    14  0.80  molprobity     1  True   
451  451  t90       -69.0   -62.3  Allowed    10    16  0.61    23  0.52  molprobity     1  True   
452  452  m         -70.9   -20.0  Favored     4     6  1.63     8  0.57  molprobity     1  True   
453  453  ttm180    -66.9   -41.0  Favored    13    11  0.61    14  0.72  molprobity     1  True   
454  454  t70       -88.4   -43.0  Favored     4     8  0.46    11  0.93  molprobity     1  True   
455  455  m-70     -105.7    34.4  Favored     7    11  0.58    15  0.62  molprobity     1  True   
456  456  ?         -61.5    97.3  Allowed     5     5  0.49     7  0.63  molprobity     1  True   
457  457  tpt180    -78.0   -35.5  Favored    13    11  0.74    14  0.42  molprobity     1  True   
458  458  m        -130.7   -68.2  Allowed     4     6  0.52     8  0.42  molprobity     1  True   
459  459  t        -129.3   -83.1  Allowed     4     5  0.77     5  0.73  molprobity     1  True   
460  460  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    7  NE    1  0.53  2.18  
 2    7  HA    1  0.53  2.18  
 3   15  O     2  0.47  2.09  
 4   19  HB2   2  0.47  2.09  
 5   30  NE    3  0.57  2.15  
 6   30  HA    3  0.57  2.15  
 7   53  HG3   4  0.46  2.51  
 8   61  SG    4  0.46  2.51  
 9  122  HG3   5  0.46  1.71  
10  122  NE    6  0.45  2.27  
11  122  HA    6  0.45  2.27  
12  122  HG2   7  0.44  2.53  
13  123  H     5  0.46  1.71  
14  130  SG    7  0.44  2.53  
15  130  O     8  0.43  2.14  
16  134  HB2   8  0.43  2.14  
17  145  NE    9  0.49  2.22  
18  145  HA    9  0.49  2.22  
19  152  CZ3  10  0.46  2.45  
20  156  HB2  10  0.46  2.45  
21  163  HA3  11  0.43  2.34  
22  167  C    11  0.43  2.34  
23  191  HA   12  0.44  1.72  
24  191  HE   12  0.44  1.72  
25  214  NH2  13  0.40  2.32  
26  219  HB3  13  0.40  2.32  
27  222  O    14  0.46  2.09  
28  226  HB2  14  0.46  2.09  
29  237  NE   15  0.49  2.21  
30  237  HA   15  0.49  2.21  
31  245  O    16  0.45  2.11  
32  249  HB2  16  0.45  2.11  
33  268  O    17  0.42  2.14  
34  272  HB2  17  0.42  2.14  
35  283  NE   18  0.59  2.11  
36  283  HA   18  0.59  2.11  
37  306  NE   19  0.49  2.21  
38  306  HA   19  0.49  2.21  
39  306  HG3  20  0.42  2.55  
40  314  SG   20  0.42  2.55  
41  337  O    21  0.49  2.06  
42  338  HA   22  0.55  2.16  
43  338  NE   22  0.55  2.16  
44  341  HB2  21  0.49  2.06  
45  352  NE   23  0.42  2.30  
46  352  HA   23  0.42  2.30  
47  352  HG2  24  0.41  2.56  
48  360  SG   24  0.41  2.56  
49  365  NE   25  0.43  2.29  
50  365  HA   25  0.43  2.29  
51  398  NE   26  0.43  2.28  
52  398  HA   26  0.43  2.28  
53  406  O    27  0.52  2.04  
54  410  HB2  27  0.52  2.04  
55  415  NE   28  0.45  2.26  
56  415  HA   28  0.45  2.26  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        True  
 2  1        ?     
 3  1        ?     
 4  1        ?     
 5  2        ?     
 6  1        ?     
 7  outlier  ?     
 8  1        ?     
 9  outlier  ?     
10  outlier  ?     
11  1        ?     
12  outlier  ?     
13  1        ?     
14  1        ?     
15  1        ?     
16  1        ?     
17  1        ?     
18  2        True  
19  1        ?     
20  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  21
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.460
_pdbx_vrpt_cyrange_domain.medoid_model        13
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.591
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:22
#
_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                        starch_output
_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           188
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           188
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            188
_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  ARG   1  0.039  
 2  A  GLY   2  0.033  
 3  A  CYS   3  0.027  
 4  A  CYS   4  0.030  
 5  A  ASN   5  0.064  
 6  A  GLY   6  0.100  
 7  A  ARG   7  0.121  
 8  A  GLY   8  0.097  
 9  A  GLY   9  0.066  
10  A  CYS  10  0.042  
11  A  SER  11  0.035  
12  A  SER  12  0.028  
13  A  ARG  13  0.023  
14  A  TRP  14  0.018  
15  A  CYS  15  0.018  
16  A  ARG  16  0.018  
17  A  ASP  17  0.021  
18  A  HIS  18  0.023  
19  A  ALA  19  0.026  
20  A  ARG  20  0.029  
21  A  CYS  21  0.032  
22  A  CYS  22  0.035  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        HIS
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    18
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  HB2
_pdbx_vrpt_chemical_shift_outlier.value          1.329
_pdbx_vrpt_chemical_shift_outlier.zscore         -5.080
_pdbx_vrpt_chemical_shift_outlier.prediction     1.36~4.85
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00   0  
2  CA  0.50  0.00  0.00  22  
3  CB  0.50  0.00  0.00  18  
4  N   0.50  0.00  0.00  15  
#
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  173  72  245  overall    Total  
 2   82  27  109  backbone   Total  
 3   82  35  117  sidechain  Total  
 4    9  10   19  aromatic   Total  
 5  112  17  129  overall    H      
 6   46   0   46  backbone   H      
 7   57  16   73  sidechain  H      
 8    9   1   10  aromatic   H      
 9   46  34   80  overall    C      
10   21  21   42  backbone   C      
11   25   6   31  sidechain  C      
12    0   7    7  aromatic   C      
13   15  21   36  overall    N      
14   15   6   21  backbone   N      
15    0  13   13  sidechain  N      
16    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  185  83  268  overall    Total  
 2   84  30  114  backbone   Total  
 3   92  43  135  sidechain  Total  
 4    9  10   19  aromatic   Total  
 5  120  22  142  overall    H      
 6   47   1   48  backbone   H      
 7   64  20   84  sidechain  H      
 8    9   1   10  aromatic   H      
 9   50  36   86  overall    C      
10   22  22   44  backbone   C      
11   28   7   35  sidechain  C      
12    0   7    7  aromatic   C      
13   15  25   40  overall    N      
14   15   7   22  backbone   N      
15    0  16   16  sidechain  N      
16    0   2    2  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    172  
 2  "Intra-residue (|i-j|=0)"                       77  
 3  "Sequential (|i-j|=1)"                          58  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            24  
 5  "Long range (|i-j|>=5)"                          7  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 6  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               26  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             8.6  
12  "Number of long range restraints per residue"  0.3  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  77   44.8  1  0.6  1.3   4  2.3    5.2  
 2  Intra-residue  BackboneBackbone      3    1.7  0  0.0  0.0   0  0.0    0.0  
 3  Intra-residue  BackboneSidechain    56   32.6  1  0.6  1.8   4  2.3    7.1  
 4  Intra-residue  SidechainSidechain   18   10.5  0  0.0  0.0   0  0.0    0.0  
 5  Sequential     all                  58   33.7  0  0.0  0.0   6  3.5   10.3  
 6  Sequential     BackboneBackbone     25   14.5  0  0.0  0.0   3  1.7   12.0  
 7  Sequential     BackboneSidechain    28   16.3  0  0.0  0.0   3  1.7   10.7  
 8  Sequential     SidechainSidechain    5    2.9  0  0.0  0.0   0  0.0    0.0  
 9  MediumRange    all                  24   14.0  0  0.0  0.0   1  0.6    4.2  
10  MediumRange    BackboneBackbone      7    4.1  0  0.0  0.0   0  0.0    0.0  
11  MediumRange    BackboneSidechain    10    5.8  0  0.0  0.0   1  0.6   10.0  
12  MediumRange    SidechainSidechain    7    4.1  0  0.0  0.0   0  0.0    0.0  
13  LongRange      all                   7    4.1  0  0.0  0.0   2  1.2   28.6  
14  LongRange      BackboneBackbone      1    0.6  0  0.0  0.0   1  0.6  100.0  
15  LongRange      BackboneSidechain     1    0.6  0  0.0  0.0   0  0.0    0.0  
16  LongRange      SidechainSidechain    5    2.9  0  0.0  0.0   1  0.6   20.0  
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                   6    3.5  0  0.0  0.0   2  1.2   33.3  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0   0  0.0    0.0  
23  Total          all                 172  100.0  1  0.6  0.6  13  7.6    7.6  
24  Total          BackboneBackbone     36   20.9  0  0.0  0.0   4  2.3   11.1  
25  Total          BackboneSidechain    95   55.2  1  0.6  1.1   8  4.7    8.4  
26  Total          SidechainSidechain   35   20.3  0  0.0  0.0   1  0.6    2.9  
#
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  0.16  0.16  0.16  0.00  
 2   2  0.16  0.14  0.15  0.02  
 3   3  0.19  0.15  0.14  0.03  
 4   4  0.16  0.15  0.16  0.01  
 5   5  0.13  0.13  0.13  0.00  
 6   6  0.15  0.13  0.14  0.02  
 7   7  0.18  0.14  0.16  0.03  
 8   8  0.14  0.13  0.13  0.01  
 9   9  0.15  0.14  0.14  0.01  
10  10  0.17  0.13  0.11  0.03  
11  11  0.15  0.13  0.12  0.02  
12  12  0.15  0.15  0.15  0.00  
13  13  0.15  0.15  0.15  0.00  
14  14  0.13  0.13  0.13  0.00  
15  15  0.19  0.16  0.16  0.02  
16  16  0.14  0.14  0.14  0.00  
17  17  0.16  0.12  0.11  0.02  
18  18  0.16  0.13  0.13  0.02  
19  19  0.15  0.13  0.12  0.02  
20  20  0.24  0.15  0.13  0.05  
#
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  1  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  1  
  8   2  sequential    1  
  9   2  medium        0  
 10   2  long          1  
 11   2  interchain    0  
 12   2  total         3  
 13   3  intraresidue  2  
 14   3  sequential    1  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         3  
 19   4  intraresidue  1  
 20   4  sequential    1  
 21   4  medium        1  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         3  
 25   5  intraresidue  1  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          1  
 29   5  interchain    0  
 30   5  total         3  
 31   6  intraresidue  1  
 32   6  sequential    1  
 33   6  medium        0  
 34   6  long          1  
 35   6  interchain    0  
 36   6  total         3  
 37   7  intraresidue  1  
 38   7  sequential    3  
 39   7  medium        0  
 40   7  long          1  
 41   7  interchain    0  
 42   7  total         5  
 43   8  intraresidue  1  
 44   8  sequential    3  
 45   8  medium        0  
 46   8  long          1  
 47   8  interchain    0  
 48   8  total         5  
 49   9  intraresidue  1  
 50   9  sequential    1  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         2  
 55  10  intraresidue  1  
 56  10  sequential    2  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         3  
 61  11  intraresidue  2  
 62  11  sequential    1  
 63  11  medium        1  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         4  
 67  12  intraresidue  1  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         1  
 73  13  intraresidue  1  
 74  13  sequential    1  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         2  
 79  14  intraresidue  1  
 80  14  sequential    1  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         2  
 85  15  intraresidue  2  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          1  
 89  15  interchain    0  
 90  15  total         3  
 91  16  intraresidue  1  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  1  
 98  17  sequential    3  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         4  
103  18  intraresidue  1  
104  18  sequential    3  
105  18  medium        1  
106  18  long          0  
107  18  interchain    0  
108  18  total         5  
109  19  intraresidue  2  
110  19  sequential    2  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         4  
115  20  intraresidue  2  
116  20  sequential    1  
117  20  medium        1  
118  20  long          0  
119  20  interchain    0  
120  20  total         4  
#
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  1  
  2   1  sequential    2  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         4  
  7   2  intraresidue  2  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          1  
 11   2  interchain    0  
 12   2  total         3  
 13   3  intraresidue  0  
 14   3  sequential    1  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         1  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          1  
 23   4  interchain    0  
 24   4  total         1  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    2  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         2  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  1  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2   3.0   
2  0.2-0.5  0.2   0.1   
3  >0.5     None  None  
#
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   49  1  .  A  15  CYS  ?     1  A  15  H    A  .  15  CYS  15  A  1  ?     HB3  20  0.15  0.15  0.01  
 2  135  1  .  A  12  SER  ?     1  A  12  HB2  A  .  13  ARG  13  A  1  ?     H     8  0.14  0.14  0.02  
 3  135  1  .  A  12  SER  ?     1  A  12  HB3  A  .  13  ARG  13  A  1  ?     H     8  0.14  0.14  0.02  
 4  145  1  .  A  15  CYS  ?     1  A  15  HB2  A  .  16  ARG  16  A  1  ?     H     8  0.13  0.12  0.02  
 5  145  1  .  A  15  CYS  ?     1  A  15  HB3  A  .  16  ARG  16  A  1  ?     H     8  0.13  0.12  0.02  
 6   23  1  .  A  14  TRP  ?     1  A  14  HA   A  .  15  CYS  15  A  1  ?     H     5  0.11  0.11  0.00  
 7   61  1  .  A   2  GLY  ?     1  A   2  H    A  .   7  ARG   7  A  1  ?     HA    4  0.13  0.14  0.01  
 8    2  1  .  A   2  GLY  ?     1  A   2  HA3  A  .   3  CYS   3  A  1  ?     H     3  0.11  0.11  0.00  
 9    3  3  .  A  13  ARG  ?     1  A  13  O    A  .  17  ASP  17  A  1  ?     H     2  0.20  0.20  0.04  
10   44  1  .  A  11  SER  ?     1  A  11  H    A  .  11  SER  11  A  1  ?     HB3   2  0.19  0.19  0.00  
11  131  1  .  A   7  ARG  ?     1  A   7  HD2  A  .  14  TRP  14  A  1  ?     HD1   2  0.14  0.14  0.02  
12  131  1  .  A   7  ARG  ?     1  A   7  HD3  A  .  14  TRP  14  A  1  ?     HD1   2  0.14  0.14  0.02  
13   43  1  .  A   5  ASN  ?     1  A   5  H    A  .   5  ASN   5  A  1  ?     HB2   2  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1    3  3  450  454  O    H    0.24  
 2   44  1   57   57  H    HB3  0.19  
 3   44  1  333  333  H    HB3  0.19  
 4  135  1  150  151  HB2  H    0.18  
 5  135  1  150  151  HB3  H    0.18  
 6   49  1  222  222  H    HB3  0.17  
 7    3  3  404  408  O    H    0.16  
 8    1  3   81   85  O    H    0.16  
 9    7  1  142  143  HB3  H    0.16  
10   49  1   15   15  H    HB3  0.16  
11   49  1  153  153  H    HB3  0.16  
12   49  1  337  337  H    HB3  0.16  
13   49  1  383  383  H    HB3  0.16  
14   49  1  406  406  H    HB3  0.16  
15  145  1   84   85  HB2  H    0.16  
16  145  1   84   85  HB3  H    0.16  
17  131  1   30   37  HD2  HD1  0.16  
18  131  1   30   37  HD3  HD1  0.16  
19   49  1  130  130  H    HB3  0.15  
20   49  1  199  199  H    HB3  0.15  
21   49  1  245  245  H    HB3  0.15  
22   49  1  268  268  H    HB3  0.15  
23   49  1  291  291  H    HB3  0.15  
24   49  1  429  429  H    HB3  0.15  
25  145  1   38   39  HB2  H    0.15  
26  145  1   38   39  HB3  H    0.15  
27   61  1  117  122  H    HA   0.14  
28   61  1  324  329  H    HA   0.14  
29   49  1   61   61  H    HB3  0.14  
30   49  1   84   84  H    HB3  0.14  
31   49  1  176  176  H    HB3  0.14  
32   49  1  360  360  H    HB3  0.14  
33   49  1  452  452  H    HB3  0.14  
34  135  1  173  174  HB2  H    0.14  
35  135  1  173  174  HB3  H    0.14  
36  135  1  242  243  HB2  H    0.14  
37  135  1  242  243  HB3  H    0.14  
38  135  1  288  289  HB2  H    0.14  
39  135  1  288  289  HB3  H    0.14  
40  135  1  426  427  HB2  H    0.14  
41  135  1  426  427  HB3  H    0.14  
42   61  1  163  168  H    HA   0.13  
43   49  1  107  107  H    HB3  0.13  
44   49  1  314  314  H    HB3  0.13  
45  145  1  107  108  HB2  H    0.13  
46  145  1  107  108  HB3  H    0.13  
47  145  1  314  315  HB2  H    0.13  
48  145  1  314  315  HB3  H    0.13  
49  135  1  196  197  HB2  H    0.13  
50  135  1  196  197  HB3  H    0.13  
51  135  1  403  404  HB2  H    0.13  
52  135  1  403  404  HB3  H    0.13  
53   49  1   38   38  H    HB3  0.12  
54   47  1  449  449  H    HB2  0.12  
55   23  1  175  176  HA   H    0.12  
56  145  1   61   62  HB2  H    0.12  
57  145  1   61   62  HB3  H    0.12  
58  145  1  176  177  HB2  H    0.12  
59  145  1  176  177  HB3  H    0.12  
60  131  1   99  106  HD2  HD1  0.12  
61  131  1   99  106  HD3  HD1  0.12  
62   62  1  244  247  HA   HB2  0.11  
63   61  1  140  145  H    HA   0.11  
64   43  1  235  235  H    HB2  0.11  
65   43  1  419  419  H    HB2  0.11  
66   23  1  129  130  HA   H    0.11  
67   23  1  382  383  HA   H    0.11  
68   23  1  405  406  HA   H    0.11  
69   23  1  451  452  HA   H    0.11  
70    2  1  140  141  HA3  H    0.11  
71    2  1  209  210  HA3  H    0.11  
72    2  1  416  417  HA3  H    0.11  
73   15  1  377  378  HA3  H    0.11  
74  145  1  222  223  HB2  H    0.11  
75  145  1  222  223  HB3  H    0.11  
76  145  1  406  407  HB2  H    0.11  
77  145  1  406  407  HB3  H    0.11  
78  135  1  380  381  HB2  H    0.11  
79  135  1  380  381  HB3  H    0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  CHI1    4   15.4  0  0.0  0.0  0  0.0   0.0  
2  PHI    12   46.2  0  0.0  0.0  1  3.8   8.3  
3  PSI    10   38.5  0  0.0  0.0  1  3.8  10.0  
4  Total  26  100.0  0  0.0  0.0  2  7.7   7.7  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.20  1.20  1.20  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  1.20  1.20  1.20  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  1.10  1.10  1.10  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  CHI1   0  
 2   1  PHI    1  
 3   1  PSI    0  
 4   1  Total  1  
 5   2  CHI1   0  
 6   2  PHI    0  
 7   2  PSI    0  
 8   2  Total  0  
 9   3  CHI1   0  
10   3  PHI    0  
11   3  PSI    1  
12   3  Total  1  
13   4  CHI1   0  
14   4  PHI    0  
15   4  PSI    0  
16   4  Total  0  
17   5  CHI1   0  
18   5  PHI    0  
19   5  PSI    0  
20   5  Total  0  
21   6  CHI1   0  
22   6  PHI    0  
23   6  PSI    0  
24   6  Total  0  
25   7  CHI1   0  
26   7  PHI    0  
27   7  PSI    0  
28   7  Total  0  
29   8  CHI1   0  
30   8  PHI    0  
31   8  PSI    0  
32   8  Total  0  
33   9  CHI1   0  
34   9  PHI    0  
35   9  PSI    0  
36   9  Total  0  
37  10  CHI1   0  
38  10  PHI    0  
39  10  PSI    0  
40  10  Total  0  
41  11  CHI1   0  
42  11  PHI    0  
43  11  PSI    0  
44  11  Total  0  
45  12  CHI1   0  
46  12  PHI    0  
47  12  PSI    1  
48  12  Total  1  
49  13  CHI1   0  
50  13  PHI    0  
51  13  PSI    0  
52  13  Total  0  
53  14  CHI1   0  
54  14  PHI    0  
55  14  PSI    0  
56  14  Total  0  
57  15  CHI1   0  
58  15  PHI    0  
59  15  PSI    0  
60  15  Total  0  
61  16  CHI1   0  
62  16  PHI    0  
63  16  PSI    0  
64  16  Total  0  
65  17  CHI1   0  
66  17  PHI    0  
67  17  PSI    0  
68  17  Total  0  
69  18  CHI1   0  
70  18  PHI    0  
71  18  PSI    0  
72  18  Total  0  
73  19  CHI1   0  
74  19  PHI    0  
75  19  PSI    0  
76  19  Total  0  
77  20  CHI1   0  
78  20  PHI    0  
79  20  PSI    0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  CHI1   0  
 2   1  PHI    1  
 3   1  PSI    0  
 4   1  Total  1  
 5   2  CHI1   0  
 6   2  PHI    0  
 7   2  PSI    1  
 8   2  Total  1  
 9   3  CHI1   0  
10   3  PHI    0  
11   3  PSI    0  
12   3  Total  0  
13   4  CHI1   0  
14   4  PHI    0  
15   4  PSI    0  
16   4  Total  0  
17   5  CHI1   0  
18   5  PHI    0  
19   5  PSI    0  
20   5  Total  0  
21   6  CHI1   0  
22   6  PHI    0  
23   6  PSI    0  
24   6  Total  0  
25   7  CHI1   0  
26   7  PHI    0  
27   7  PSI    0  
28   7  Total  0  
29   8  CHI1   0  
30   8  PHI    0  
31   8  PSI    0  
32   8  Total  0  
33   9  CHI1   0  
34   9  PHI    0  
35   9  PSI    0  
36   9  Total  0  
37  10  CHI1   0  
38  10  PHI    0  
39  10  PSI    0  
40  10  Total  0  
41  11  CHI1   0  
42  11  PHI    0  
43  11  PSI    0  
44  11  Total  0  
45  12  CHI1   0  
46  12  PHI    0  
47  12  PSI    0  
48  12  Total  0  
49  13  CHI1   0  
50  13  PHI    0  
51  13  PSI    0  
52  13  Total  0  
53  14  CHI1   0  
54  14  PHI    0  
55  14  PSI    0  
56  14  Total  0  
57  15  CHI1   0  
58  15  PHI    0  
59  15  PSI    0  
60  15  Total  0  
61  16  CHI1   0  
62  16  PHI    0  
63  16  PSI    0  
64  16  Total  0  
65  17  CHI1   0  
66  17  PHI    0  
67  17  PSI    0  
68  17  Total  0  
69  18  CHI1   0  
70  18  PHI    0  
71  18  PSI    0  
72  18  Total  0  
73  19  CHI1   0  
74  19  PHI    0  
75  19  PSI    0  
76  19  Total  0  
77  20  CHI1   0  
78  20  PHI    0  
79  20  PSI    0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   1.2   0.1   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal               1
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id               20
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id              1
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1              17
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1             ASP
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1                 17
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1                N
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2              17
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2             ASP
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2                 17
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2                CA
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3              17
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3             ASP
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3                 17
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3                C
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4               A
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4             .
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4              18
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4             HIS
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4                 18
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4                A
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4                 1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4               ?
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4                N
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models       2
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation  1.15
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation      1.15
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation    0.05
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
1   4  1    3    4    4    4  C  N   CA  C  1.20  
2  20  1   63   63   63   64  N  CA  C   N  1.20  
3  20  1  270  270  270  271  N  CA  C   N  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
