data_6NUG

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6NUG   
BMRB  30566  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6NUG
_pdbx_vrpt_summary.PDB_deposition_date         2019-02-01
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:15:55
_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  Granulin-4
#
_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   97.35  158937  ?     ?     
2  2  1   86.61   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   19.41  154315  ?     ?     
6  2  3   67.95   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   24.16  
 4  6  3  A   1  1  A   24.16  
 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    7.33  
12  6  3  A   3  1  A    7.33  
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   24.16  
16  6  3  A   4  1  A   24.16  
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   24.16  
20  6  3  A   5  1  A   24.16  
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   24.16  
24  6  3  A   6  1  A   24.16  
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    1.05  
28  6  3  A   7  1  A    1.05  
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   24.16  
32  6  3  A   8  1  A   24.16  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A    2.65  
36  6  3  A   9  1  A    2.65  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   24.16  
40  6  3  A  10  1  A   24.16  
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   24.16  
44  6  3  A  11  1  A   24.16  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   24.16  
48  6  3  A  12  1  A   24.16  
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    7.33  
52  6  3  A  13  1  A    7.33  
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   24.16  
56  6  3  A  14  1  A   24.16  
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   24.16  
60  6  3  A  15  1  A   24.16  
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   24.16  
64  6  3  A  16  1  A   24.16  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A   24.16  
72  6  3  A  18  1  A   24.16  
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   24.16  
76  6  3  A  19  1  A   24.16  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A    7.33  
80  6  3  A  20  1  A    7.33  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.30  0.19  176  237  
 2   2  1  A  A  0.30  0.19  176  237  
 3   3  1  A  A  0.30  0.19  176  237  
 4   4  1  A  A  0.30  0.19  176  237  
 5   5  1  A  A  0.30  0.19  176  237  
 6   6  1  A  A  0.30  0.19  176  237  
 7   7  1  A  A  0.30  0.19  176  237  
 8   8  1  A  A  0.30  0.18  176  237  
 9   9  1  A  A  0.30  0.19  176  237  
10  10  1  A  A  0.30  0.19  176  237  
11  11  1  A  A  0.30  0.19  176  237  
12  12  1  A  A  0.30  0.18  176  237  
13  13  1  A  A  0.30  0.19  176  237  
14  14  1  A  A  0.30  0.19  176  237  
15  15  1  A  A  0.30  0.18  176  237  
16  16  1  A  A  0.30  0.19  176  237  
17  17  1  A  A  0.30  0.19  176  237  
18  18  1  A  A  0.30  0.19  176  237  
19  19  1  A  A  0.30  0.19  176  237  
20  20  1  A  A  0.30  0.19  176  237  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   6.84
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       6.50
_pdbx_vrpt_summary_geometry.clashscore                                 0.49
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.47
_pdbx_vrpt_summary_geometry.num_H_reduce                               2940
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             3520
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.19
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            4740
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.30
#
_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            20
_pdbx_vrpt_summary_nmr.medoid_model                             16
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              48.26
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  46.82
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  CYS  A   1  .  ?        ?  
  2   1  1  A   2  ASP  A   2  .  ?        ?  
  3   1  1  A   3  MET  A   3  .  ?        ?  
  4   1  1  A   4  GLU  A   4  .  ?        ?  
  5   1  1  A   5  VAL  A   5  .  ?        ?  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  CYS  A   7  .  ?        ?  
  8   1  1  A   8  PRO  A   8  .  ?        ?  
  9   1  1  A   9  ASP  A   9  .  ?        ?  
 10   1  1  A  10  GLY  A  10  .  ?        ?  
 11   1  1  A  11  TYR  A  11  .  ?        ?  
 12   1  1  A  12  THR  A  12  .  ?        ?  
 13   1  1  A  13  CYS  A  13  .  ?        ?  
 14   1  1  A  14  CYS  A  14  .  ?        ?  
 15   1  1  A  15  ARG  A  15  .  ?        ?  
 16   1  1  A  16  LEU  A  16  .  ?        ?  
 17   1  1  A  17  GLN  A  17  .  ?        ?  
 18   1  1  A  18  SER  A  18  .  ?        ?  
 19   1  1  A  19  GLY  A  19  .  ?        ?  
 20   1  1  A  20  ALA  A  20  .  ?        ?  
 21   1  1  A  21  TRP  A  21  .  ?        ?  
 22   1  1  A  22  GLY  A  22  .  ?        ?  
 23   1  1  A  23  CYS  A  23  .  ?        ?  
 24   1  1  A  24  CYS  A  24  .  ?        ?  
 25   2  1  A   1  CYS  A   1  .  ?        ?  
 26   2  1  A   2  ASP  A   2  .  ?        ?  
 27   2  1  A   3  MET  A   3  .  ?        ?  
 28   2  1  A   4  GLU  A   4  .  ?        ?  
 29   2  1  A   5  VAL  A   5  .  ?        ?  
 30   2  1  A   6  SER  A   6  .  ?        ?  
 31   2  1  A   7  CYS  A   7  .  ?        ?  
 32   2  1  A   8  PRO  A   8  .  ?        ?  
 33   2  1  A   9  ASP  A   9  .  ?        ?  
 34   2  1  A  10  GLY  A  10  .  ?        ?  
 35   2  1  A  11  TYR  A  11  .  ?        ?  
 36   2  1  A  12  THR  A  12  .  ?        ?  
 37   2  1  A  13  CYS  A  13  .  ?        ?  
 38   2  1  A  14  CYS  A  14  .  ?        ?  
 39   2  1  A  15  ARG  A  15  .  ?        ?  
 40   2  1  A  16  LEU  A  16  .  ?        ?  
 41   2  1  A  17  GLN  A  17  .  ?        ?  
 42   2  1  A  18  SER  A  18  .  ?        ?  
 43   2  1  A  19  GLY  A  19  .  ?        ?  
 44   2  1  A  20  ALA  A  20  .  ?        ?  
 45   2  1  A  21  TRP  A  21  .  ?        ?  
 46   2  1  A  22  GLY  A  22  .  ?        ?  
 47   2  1  A  23  CYS  A  23  .  ?        ?  
 48   2  1  A  24  CYS  A  24  .  ?        ?  
 49   3  1  A   1  CYS  A   1  .  ?        ?  
 50   3  1  A   2  ASP  A   2  .  ?        ?  
 51   3  1  A   3  MET  A   3  .  ?        ?  
 52   3  1  A   4  GLU  A   4  .  ?        ?  
 53   3  1  A   5  VAL  A   5  .  ?        1  
 54   3  1  A   6  SER  A   6  .  ?        ?  
 55   3  1  A   7  CYS  A   7  .  ?        ?  
 56   3  1  A   8  PRO  A   8  .  ?        ?  
 57   3  1  A   9  ASP  A   9  .  ?        ?  
 58   3  1  A  10  GLY  A  10  .  ?        ?  
 59   3  1  A  11  TYR  A  11  .  ?        ?  
 60   3  1  A  12  THR  A  12  .  ?        ?  
 61   3  1  A  13  CYS  A  13  .  ?        ?  
 62   3  1  A  14  CYS  A  14  .  ?        ?  
 63   3  1  A  15  ARG  A  15  .  ?        ?  
 64   3  1  A  16  LEU  A  16  .  ?        ?  
 65   3  1  A  17  GLN  A  17  .  ?        ?  
 66   3  1  A  18  SER  A  18  .  ?        ?  
 67   3  1  A  19  GLY  A  19  .  ?        ?  
 68   3  1  A  20  ALA  A  20  .  ?        ?  
 69   3  1  A  21  TRP  A  21  .  ?        1  
 70   3  1  A  22  GLY  A  22  .  ?        ?  
 71   3  1  A  23  CYS  A  23  .  ?        ?  
 72   3  1  A  24  CYS  A  24  .  ?        ?  
 73   4  1  A   1  CYS  A   1  .  ?        ?  
 74   4  1  A   2  ASP  A   2  .  ?        ?  
 75   4  1  A   3  MET  A   3  .  ?        ?  
 76   4  1  A   4  GLU  A   4  .  ?        ?  
 77   4  1  A   5  VAL  A   5  .  ?        ?  
 78   4  1  A   6  SER  A   6  .  ?        ?  
 79   4  1  A   7  CYS  A   7  .  ?        ?  
 80   4  1  A   8  PRO  A   8  .  ?        ?  
 81   4  1  A   9  ASP  A   9  .  ?        ?  
 82   4  1  A  10  GLY  A  10  .  ?        ?  
 83   4  1  A  11  TYR  A  11  .  ?        ?  
 84   4  1  A  12  THR  A  12  .  ?        ?  
 85   4  1  A  13  CYS  A  13  .  ?        ?  
 86   4  1  A  14  CYS  A  14  .  ?        ?  
 87   4  1  A  15  ARG  A  15  .  ?        ?  
 88   4  1  A  16  LEU  A  16  .  ?        ?  
 89   4  1  A  17  GLN  A  17  .  ?        ?  
 90   4  1  A  18  SER  A  18  .  ?        ?  
 91   4  1  A  19  GLY  A  19  .  ?        ?  
 92   4  1  A  20  ALA  A  20  .  ?        ?  
 93   4  1  A  21  TRP  A  21  .  ?        ?  
 94   4  1  A  22  GLY  A  22  .  ?        ?  
 95   4  1  A  23  CYS  A  23  .  ?        ?  
 96   4  1  A  24  CYS  A  24  .  ?        ?  
 97   5  1  A   1  CYS  A   1  .  ?        ?  
 98   5  1  A   2  ASP  A   2  .  ?        ?  
 99   5  1  A   3  MET  A   3  .  ?        ?  
100   5  1  A   4  GLU  A   4  .  ?        ?  
101   5  1  A   5  VAL  A   5  .  ?        ?  
102   5  1  A   6  SER  A   6  .  ?        ?  
103   5  1  A   7  CYS  A   7  .  ?        ?  
104   5  1  A   8  PRO  A   8  .  ?        ?  
105   5  1  A   9  ASP  A   9  .  ?        ?  
106   5  1  A  10  GLY  A  10  .  ?        ?  
107   5  1  A  11  TYR  A  11  .  ?        ?  
108   5  1  A  12  THR  A  12  .  ?        ?  
109   5  1  A  13  CYS  A  13  .  ?        ?  
110   5  1  A  14  CYS  A  14  .  ?        ?  
111   5  1  A  15  ARG  A  15  .  ?        ?  
112   5  1  A  16  LEU  A  16  .  ?        ?  
113   5  1  A  17  GLN  A  17  .  ?        ?  
114   5  1  A  18  SER  A  18  .  ?        ?  
115   5  1  A  19  GLY  A  19  .  ?        ?  
116   5  1  A  20  ALA  A  20  .  ?        ?  
117   5  1  A  21  TRP  A  21  .  ?        ?  
118   5  1  A  22  GLY  A  22  .  ?        ?  
119   5  1  A  23  CYS  A  23  .  ?        ?  
120   5  1  A  24  CYS  A  24  .  ?        ?  
121   6  1  A   1  CYS  A   1  .  ?        ?  
122   6  1  A   2  ASP  A   2  .  ?        ?  
123   6  1  A   3  MET  A   3  .  ?        ?  
124   6  1  A   4  GLU  A   4  .  ?        ?  
125   6  1  A   5  VAL  A   5  .  ?        ?  
126   6  1  A   6  SER  A   6  .  ?        ?  
127   6  1  A   7  CYS  A   7  .  ?        ?  
128   6  1  A   8  PRO  A   8  .  ?        ?  
129   6  1  A   9  ASP  A   9  .  ?        ?  
130   6  1  A  10  GLY  A  10  .  ?        ?  
131   6  1  A  11  TYR  A  11  .  ?        ?  
132   6  1  A  12  THR  A  12  .  ?        ?  
133   6  1  A  13  CYS  A  13  .  ?        ?  
134   6  1  A  14  CYS  A  14  .  ?        ?  
135   6  1  A  15  ARG  A  15  .  ?        ?  
136   6  1  A  16  LEU  A  16  .  ?        ?  
137   6  1  A  17  GLN  A  17  .  ?        ?  
138   6  1  A  18  SER  A  18  .  ?        ?  
139   6  1  A  19  GLY  A  19  .  ?        ?  
140   6  1  A  20  ALA  A  20  .  ?        ?  
141   6  1  A  21  TRP  A  21  .  ?        ?  
142   6  1  A  22  GLY  A  22  .  ?        ?  
143   6  1  A  23  CYS  A  23  .  ?        ?  
144   6  1  A  24  CYS  A  24  .  ?        ?  
145   7  1  A   1  CYS  A   1  .  ?        ?  
146   7  1  A   2  ASP  A   2  .  ?        ?  
147   7  1  A   3  MET  A   3  .  ?        ?  
148   7  1  A   4  GLU  A   4  .  ?        ?  
149   7  1  A   5  VAL  A   5  .  ?        ?  
150   7  1  A   6  SER  A   6  .  ?        ?  
151   7  1  A   7  CYS  A   7  .  ?        ?  
152   7  1  A   8  PRO  A   8  .  ?        ?  
153   7  1  A   9  ASP  A   9  .  ?        ?  
154   7  1  A  10  GLY  A  10  .  ?        ?  
155   7  1  A  11  TYR  A  11  .  ?        ?  
156   7  1  A  12  THR  A  12  .  ?        ?  
157   7  1  A  13  CYS  A  13  .  ?        ?  
158   7  1  A  14  CYS  A  14  .  ?        ?  
159   7  1  A  15  ARG  A  15  .  ?        ?  
160   7  1  A  16  LEU  A  16  .  ?        ?  
161   7  1  A  17  GLN  A  17  .  ?        ?  
162   7  1  A  18  SER  A  18  .  ?        ?  
163   7  1  A  19  GLY  A  19  .  ?        ?  
164   7  1  A  20  ALA  A  20  .  ?        ?  
165   7  1  A  21  TRP  A  21  .  ?        ?  
166   7  1  A  22  GLY  A  22  .  ?        ?  
167   7  1  A  23  CYS  A  23  .  ?        ?  
168   7  1  A  24  CYS  A  24  .  ?        ?  
169   8  1  A   1  CYS  A   1  .  ?        ?  
170   8  1  A   2  ASP  A   2  .  ?        ?  
171   8  1  A   3  MET  A   3  .  ?        ?  
172   8  1  A   4  GLU  A   4  .  ?        ?  
173   8  1  A   5  VAL  A   5  .  ?        ?  
174   8  1  A   6  SER  A   6  .  ?        ?  
175   8  1  A   7  CYS  A   7  .  ?        ?  
176   8  1  A   8  PRO  A   8  .  ?        ?  
177   8  1  A   9  ASP  A   9  .  ?        ?  
178   8  1  A  10  GLY  A  10  .  ?        ?  
179   8  1  A  11  TYR  A  11  .  ?        ?  
180   8  1  A  12  THR  A  12  .  ?        ?  
181   8  1  A  13  CYS  A  13  .  ?        ?  
182   8  1  A  14  CYS  A  14  .  ?        ?  
183   8  1  A  15  ARG  A  15  .  ?        ?  
184   8  1  A  16  LEU  A  16  .  ?        ?  
185   8  1  A  17  GLN  A  17  .  ?        ?  
186   8  1  A  18  SER  A  18  .  ?        ?  
187   8  1  A  19  GLY  A  19  .  ?        ?  
188   8  1  A  20  ALA  A  20  .  ?        ?  
189   8  1  A  21  TRP  A  21  .  ?        ?  
190   8  1  A  22  GLY  A  22  .  ?        ?  
191   8  1  A  23  CYS  A  23  .  ?        ?  
192   8  1  A  24  CYS  A  24  .  ?        ?  
193   9  1  A   1  CYS  A   1  .  ?        ?  
194   9  1  A   2  ASP  A   2  .  ?        ?  
195   9  1  A   3  MET  A   3  .  ?        ?  
196   9  1  A   4  GLU  A   4  .  ?        ?  
197   9  1  A   5  VAL  A   5  .  ?        ?  
198   9  1  A   6  SER  A   6  .  ?        ?  
199   9  1  A   7  CYS  A   7  .  ?        ?  
200   9  1  A   8  PRO  A   8  .  ?        ?  
201   9  1  A   9  ASP  A   9  .  ?        ?  
202   9  1  A  10  GLY  A  10  .  ?        ?  
203   9  1  A  11  TYR  A  11  .  ?        ?  
204   9  1  A  12  THR  A  12  .  ?        ?  
205   9  1  A  13  CYS  A  13  .  ?        ?  
206   9  1  A  14  CYS  A  14  .  ?        ?  
207   9  1  A  15  ARG  A  15  .  ?        ?  
208   9  1  A  16  LEU  A  16  .  ?        ?  
209   9  1  A  17  GLN  A  17  .  ?        ?  
210   9  1  A  18  SER  A  18  .  ?        ?  
211   9  1  A  19  GLY  A  19  .  ?        ?  
212   9  1  A  20  ALA  A  20  .  ?        ?  
213   9  1  A  21  TRP  A  21  .  ?        ?  
214   9  1  A  22  GLY  A  22  .  ?        ?  
215   9  1  A  23  CYS  A  23  .  ?        ?  
216   9  1  A  24  CYS  A  24  .  ?        ?  
217  10  1  A   1  CYS  A   1  .  ?        ?  
218  10  1  A   2  ASP  A   2  .  ?        ?  
219  10  1  A   3  MET  A   3  .  ?        ?  
220  10  1  A   4  GLU  A   4  .  ?        ?  
221  10  1  A   5  VAL  A   5  .  ?        ?  
222  10  1  A   6  SER  A   6  .  ?        ?  
223  10  1  A   7  CYS  A   7  .  ?        ?  
224  10  1  A   8  PRO  A   8  .  ?        ?  
225  10  1  A   9  ASP  A   9  .  ?        ?  
226  10  1  A  10  GLY  A  10  .  ?        ?  
227  10  1  A  11  TYR  A  11  .  ?        ?  
228  10  1  A  12  THR  A  12  .  ?        ?  
229  10  1  A  13  CYS  A  13  .  ?        ?  
230  10  1  A  14  CYS  A  14  .  ?        ?  
231  10  1  A  15  ARG  A  15  .  ?        ?  
232  10  1  A  16  LEU  A  16  .  ?        ?  
233  10  1  A  17  GLN  A  17  .  ?        ?  
234  10  1  A  18  SER  A  18  .  ?        ?  
235  10  1  A  19  GLY  A  19  .  ?        ?  
236  10  1  A  20  ALA  A  20  .  ?        ?  
237  10  1  A  21  TRP  A  21  .  ?        ?  
238  10  1  A  22  GLY  A  22  .  ?        ?  
239  10  1  A  23  CYS  A  23  .  ?        ?  
240  10  1  A  24  CYS  A  24  .  ?        ?  
241  11  1  A   1  CYS  A   1  .  ?        ?  
242  11  1  A   2  ASP  A   2  .  ?        ?  
243  11  1  A   3  MET  A   3  .  ?        ?  
244  11  1  A   4  GLU  A   4  .  ?        ?  
245  11  1  A   5  VAL  A   5  .  ?        ?  
246  11  1  A   6  SER  A   6  .  ?        ?  
247  11  1  A   7  CYS  A   7  .  ?        ?  
248  11  1  A   8  PRO  A   8  .  ?        ?  
249  11  1  A   9  ASP  A   9  .  ?        ?  
250  11  1  A  10  GLY  A  10  .  ?        ?  
251  11  1  A  11  TYR  A  11  .  ?        ?  
252  11  1  A  12  THR  A  12  .  ?        ?  
253  11  1  A  13  CYS  A  13  .  ?        ?  
254  11  1  A  14  CYS  A  14  .  ?        ?  
255  11  1  A  15  ARG  A  15  .  ?        ?  
256  11  1  A  16  LEU  A  16  .  ?        ?  
257  11  1  A  17  GLN  A  17  .  ?        ?  
258  11  1  A  18  SER  A  18  .  ?        ?  
259  11  1  A  19  GLY  A  19  .  ?        ?  
260  11  1  A  20  ALA  A  20  .  ?        ?  
261  11  1  A  21  TRP  A  21  .  ?        ?  
262  11  1  A  22  GLY  A  22  .  ?        ?  
263  11  1  A  23  CYS  A  23  .  ?        ?  
264  11  1  A  24  CYS  A  24  .  ?        ?  
265  12  1  A   1  CYS  A   1  .  ?        ?  
266  12  1  A   2  ASP  A   2  .  ?        ?  
267  12  1  A   3  MET  A   3  .  ?        ?  
268  12  1  A   4  GLU  A   4  .  ?        ?  
269  12  1  A   5  VAL  A   5  .  ?        ?  
270  12  1  A   6  SER  A   6  .  ?        ?  
271  12  1  A   7  CYS  A   7  .  ?        ?  
272  12  1  A   8  PRO  A   8  .  ?        ?  
273  12  1  A   9  ASP  A   9  .  ?        ?  
274  12  1  A  10  GLY  A  10  .  ?        ?  
275  12  1  A  11  TYR  A  11  .  ?        ?  
276  12  1  A  12  THR  A  12  .  ?        ?  
277  12  1  A  13  CYS  A  13  .  ?        ?  
278  12  1  A  14  CYS  A  14  .  ?        ?  
279  12  1  A  15  ARG  A  15  .  ?        ?  
280  12  1  A  16  LEU  A  16  .  ?        ?  
281  12  1  A  17  GLN  A  17  .  ?        ?  
282  12  1  A  18  SER  A  18  .  ?        ?  
283  12  1  A  19  GLY  A  19  .  ?        ?  
284  12  1  A  20  ALA  A  20  .  ?        ?  
285  12  1  A  21  TRP  A  21  .  ?        ?  
286  12  1  A  22  GLY  A  22  .  ?        ?  
287  12  1  A  23  CYS  A  23  .  ?        ?  
288  12  1  A  24  CYS  A  24  .  ?        ?  
289  13  1  A   1  CYS  A   1  .  ?        ?  
290  13  1  A   2  ASP  A   2  .  ?        ?  
291  13  1  A   3  MET  A   3  .  ?        ?  
292  13  1  A   4  GLU  A   4  .  ?        ?  
293  13  1  A   5  VAL  A   5  .  ?        1  
294  13  1  A   6  SER  A   6  .  ?        ?  
295  13  1  A   7  CYS  A   7  .  ?        ?  
296  13  1  A   8  PRO  A   8  .  ?        ?  
297  13  1  A   9  ASP  A   9  .  ?        ?  
298  13  1  A  10  GLY  A  10  .  ?        ?  
299  13  1  A  11  TYR  A  11  .  ?        ?  
300  13  1  A  12  THR  A  12  .  ?        ?  
301  13  1  A  13  CYS  A  13  .  ?        ?  
302  13  1  A  14  CYS  A  14  .  ?        ?  
303  13  1  A  15  ARG  A  15  .  ?        ?  
304  13  1  A  16  LEU  A  16  .  ?        ?  
305  13  1  A  17  GLN  A  17  .  ?        ?  
306  13  1  A  18  SER  A  18  .  ?        ?  
307  13  1  A  19  GLY  A  19  .  ?        ?  
308  13  1  A  20  ALA  A  20  .  ?        ?  
309  13  1  A  21  TRP  A  21  .  ?        1  
310  13  1  A  22  GLY  A  22  .  ?        ?  
311  13  1  A  23  CYS  A  23  .  ?        ?  
312  13  1  A  24  CYS  A  24  .  ?        ?  
313  14  1  A   1  CYS  A   1  .  ?        ?  
314  14  1  A   2  ASP  A   2  .  ?        ?  
315  14  1  A   3  MET  A   3  .  ?        ?  
316  14  1  A   4  GLU  A   4  .  ?        ?  
317  14  1  A   5  VAL  A   5  .  ?        ?  
318  14  1  A   6  SER  A   6  .  ?        ?  
319  14  1  A   7  CYS  A   7  .  ?        ?  
320  14  1  A   8  PRO  A   8  .  ?        ?  
321  14  1  A   9  ASP  A   9  .  ?        ?  
322  14  1  A  10  GLY  A  10  .  ?        ?  
323  14  1  A  11  TYR  A  11  .  ?        ?  
324  14  1  A  12  THR  A  12  .  ?        ?  
325  14  1  A  13  CYS  A  13  .  ?        ?  
326  14  1  A  14  CYS  A  14  .  ?        ?  
327  14  1  A  15  ARG  A  15  .  ?        ?  
328  14  1  A  16  LEU  A  16  .  ?        ?  
329  14  1  A  17  GLN  A  17  .  ?        ?  
330  14  1  A  18  SER  A  18  .  ?        ?  
331  14  1  A  19  GLY  A  19  .  ?        ?  
332  14  1  A  20  ALA  A  20  .  ?        ?  
333  14  1  A  21  TRP  A  21  .  ?        ?  
334  14  1  A  22  GLY  A  22  .  ?        ?  
335  14  1  A  23  CYS  A  23  .  ?        ?  
336  14  1  A  24  CYS  A  24  .  ?        ?  
337  15  1  A   1  CYS  A   1  .  ?        ?  
338  15  1  A   2  ASP  A   2  .  ?        ?  
339  15  1  A   3  MET  A   3  .  ?        ?  
340  15  1  A   4  GLU  A   4  .  ?        1  
341  15  1  A   5  VAL  A   5  .  ?        1  
342  15  1  A   6  SER  A   6  .  ?        ?  
343  15  1  A   7  CYS  A   7  .  ?        ?  
344  15  1  A   8  PRO  A   8  .  ?        ?  
345  15  1  A   9  ASP  A   9  .  ?        ?  
346  15  1  A  10  GLY  A  10  .  ?        ?  
347  15  1  A  11  TYR  A  11  .  ?        ?  
348  15  1  A  12  THR  A  12  .  ?        ?  
349  15  1  A  13  CYS  A  13  .  ?        ?  
350  15  1  A  14  CYS  A  14  .  ?        ?  
351  15  1  A  15  ARG  A  15  .  ?        ?  
352  15  1  A  16  LEU  A  16  .  ?        ?  
353  15  1  A  17  GLN  A  17  .  ?        ?  
354  15  1  A  18  SER  A  18  .  ?        ?  
355  15  1  A  19  GLY  A  19  .  ?        ?  
356  15  1  A  20  ALA  A  20  .  ?        ?  
357  15  1  A  21  TRP  A  21  .  ?        ?  
358  15  1  A  22  GLY  A  22  .  ?        ?  
359  15  1  A  23  CYS  A  23  .  ?        ?  
360  15  1  A  24  CYS  A  24  .  ?        ?  
361  16  1  A   1  CYS  A   1  .  ?        ?  
362  16  1  A   2  ASP  A   2  .  ?        ?  
363  16  1  A   3  MET  A   3  .  ?        ?  
364  16  1  A   4  GLU  A   4  .  ?        ?  
365  16  1  A   5  VAL  A   5  .  ?        ?  
366  16  1  A   6  SER  A   6  .  ?        ?  
367  16  1  A   7  CYS  A   7  .  ?        ?  
368  16  1  A   8  PRO  A   8  .  ?        ?  
369  16  1  A   9  ASP  A   9  .  ?        ?  
370  16  1  A  10  GLY  A  10  .  ?        ?  
371  16  1  A  11  TYR  A  11  .  ?        ?  
372  16  1  A  12  THR  A  12  .  ?        ?  
373  16  1  A  13  CYS  A  13  .  ?        ?  
374  16  1  A  14  CYS  A  14  .  ?        ?  
375  16  1  A  15  ARG  A  15  .  ?        ?  
376  16  1  A  16  LEU  A  16  .  ?        ?  
377  16  1  A  17  GLN  A  17  .  ?        ?  
378  16  1  A  18  SER  A  18  .  ?        ?  
379  16  1  A  19  GLY  A  19  .  ?        ?  
380  16  1  A  20  ALA  A  20  .  ?        ?  
381  16  1  A  21  TRP  A  21  .  ?        ?  
382  16  1  A  22  GLY  A  22  .  ?        ?  
383  16  1  A  23  CYS  A  23  .  ?        ?  
384  16  1  A  24  CYS  A  24  .  ?        ?  
385  17  1  A   1  CYS  A   1  .  ?        ?  
386  17  1  A   2  ASP  A   2  .  ?        ?  
387  17  1  A   3  MET  A   3  .  ?        ?  
388  17  1  A   4  GLU  A   4  .  ?        ?  
389  17  1  A   5  VAL  A   5  .  ?        ?  
390  17  1  A   6  SER  A   6  .  ?        ?  
391  17  1  A   7  CYS  A   7  .  ?        ?  
392  17  1  A   8  PRO  A   8  .  ?        ?  
393  17  1  A   9  ASP  A   9  .  ?        ?  
394  17  1  A  10  GLY  A  10  .  ?        ?  
395  17  1  A  11  TYR  A  11  .  ?        ?  
396  17  1  A  12  THR  A  12  .  ?        ?  
397  17  1  A  13  CYS  A  13  .  ?        ?  
398  17  1  A  14  CYS  A  14  .  ?        ?  
399  17  1  A  15  ARG  A  15  .  ?        ?  
400  17  1  A  16  LEU  A  16  .  ?        ?  
401  17  1  A  17  GLN  A  17  .  ?        ?  
402  17  1  A  18  SER  A  18  .  ?        ?  
403  17  1  A  19  GLY  A  19  .  ?        ?  
404  17  1  A  20  ALA  A  20  .  ?        ?  
405  17  1  A  21  TRP  A  21  .  ?        ?  
406  17  1  A  22  GLY  A  22  .  ?        ?  
407  17  1  A  23  CYS  A  23  .  ?        ?  
408  17  1  A  24  CYS  A  24  .  ?        ?  
409  18  1  A   1  CYS  A   1  .  ?        ?  
410  18  1  A   2  ASP  A   2  .  ?        ?  
411  18  1  A   3  MET  A   3  .  ?        ?  
412  18  1  A   4  GLU  A   4  .  ?        ?  
413  18  1  A   5  VAL  A   5  .  ?        ?  
414  18  1  A   6  SER  A   6  .  ?        ?  
415  18  1  A   7  CYS  A   7  .  ?        ?  
416  18  1  A   8  PRO  A   8  .  ?        ?  
417  18  1  A   9  ASP  A   9  .  ?        ?  
418  18  1  A  10  GLY  A  10  .  ?        ?  
419  18  1  A  11  TYR  A  11  .  ?        ?  
420  18  1  A  12  THR  A  12  .  ?        ?  
421  18  1  A  13  CYS  A  13  .  ?        ?  
422  18  1  A  14  CYS  A  14  .  ?        ?  
423  18  1  A  15  ARG  A  15  .  ?        ?  
424  18  1  A  16  LEU  A  16  .  ?        ?  
425  18  1  A  17  GLN  A  17  .  ?        ?  
426  18  1  A  18  SER  A  18  .  ?        ?  
427  18  1  A  19  GLY  A  19  .  ?        ?  
428  18  1  A  20  ALA  A  20  .  ?        ?  
429  18  1  A  21  TRP  A  21  .  ?        ?  
430  18  1  A  22  GLY  A  22  .  ?        ?  
431  18  1  A  23  CYS  A  23  .  ?        ?  
432  18  1  A  24  CYS  A  24  .  ?        ?  
433  19  1  A   1  CYS  A   1  .  ?        ?  
434  19  1  A   2  ASP  A   2  .  ?        ?  
435  19  1  A   3  MET  A   3  .  ?        ?  
436  19  1  A   4  GLU  A   4  .  ?        ?  
437  19  1  A   5  VAL  A   5  .  ?        ?  
438  19  1  A   6  SER  A   6  .  ?        ?  
439  19  1  A   7  CYS  A   7  .  ?        ?  
440  19  1  A   8  PRO  A   8  .  ?        ?  
441  19  1  A   9  ASP  A   9  .  ?        ?  
442  19  1  A  10  GLY  A  10  .  ?        ?  
443  19  1  A  11  TYR  A  11  .  ?        ?  
444  19  1  A  12  THR  A  12  .  ?        ?  
445  19  1  A  13  CYS  A  13  .  ?        ?  
446  19  1  A  14  CYS  A  14  .  ?        ?  
447  19  1  A  15  ARG  A  15  .  ?        ?  
448  19  1  A  16  LEU  A  16  .  ?        ?  
449  19  1  A  17  GLN  A  17  .  ?        ?  
450  19  1  A  18  SER  A  18  .  ?        ?  
451  19  1  A  19  GLY  A  19  .  ?        ?  
452  19  1  A  20  ALA  A  20  .  ?        ?  
453  19  1  A  21  TRP  A  21  .  ?        ?  
454  19  1  A  22  GLY  A  22  .  ?        ?  
455  19  1  A  23  CYS  A  23  .  ?        ?  
456  19  1  A  24  CYS  A  24  .  ?        ?  
457  20  1  A   1  CYS  A   1  .  ?        ?  
458  20  1  A   2  ASP  A   2  .  ?        ?  
459  20  1  A   3  MET  A   3  .  ?        ?  
460  20  1  A   4  GLU  A   4  .  ?        ?  
461  20  1  A   5  VAL  A   5  .  ?        ?  
462  20  1  A   6  SER  A   6  .  ?        ?  
463  20  1  A   7  CYS  A   7  .  ?        ?  
464  20  1  A   8  PRO  A   8  .  ?        ?  
465  20  1  A   9  ASP  A   9  .  ?        ?  
466  20  1  A  10  GLY  A  10  .  ?        ?  
467  20  1  A  11  TYR  A  11  .  ?        ?  
468  20  1  A  12  THR  A  12  .  ?        ?  
469  20  1  A  13  CYS  A  13  .  ?        ?  
470  20  1  A  14  CYS  A  14  .  ?        ?  
471  20  1  A  15  ARG  A  15  .  ?        ?  
472  20  1  A  16  LEU  A  16  .  ?        ?  
473  20  1  A  17  GLN  A  17  .  ?        ?  
474  20  1  A  18  SER  A  18  .  ?        ?  
475  20  1  A  19  GLY  A  19  .  ?        ?  
476  20  1  A  20  ALA  A  20  .  ?        ?  
477  20  1  A  21  TRP  A  21  .  ?        ?  
478  20  1  A  22  GLY  A  22  .  ?        ?  
479  20  1  A  23  CYS  A  23  .  ?        ?  
480  20  1  A  24  CYS  A  24  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  t             ?       ?  ?         6   6  0.20   8  0.24  molprobity     ?  False  
  2    2  t0       -108.0   160.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
  3    3  OUTLIER   -61.0   -48.1  Favored   9   8  0.22  10  0.26  molprobity     1  True   
  4    4  tp10      -78.4   -49.5  Favored   6   9  0.19  12  0.26  molprobity     1  True   
  5    5  t         -92.8   102.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
  6    6  p         -94.3   150.0  Favored   5   6  0.19   8  0.23  molprobity     1  True   
  7    7  m        -117.5    72.0  Favored   4   6  0.17   9  0.63  molprobity     1  True   
  8    8  Cg_endo   -69.7   -33.2  Favored   7   8  0.15  11  0.27  molprobity     1  True   
  9    9  m-20      -51.9   -30.8  Favored   4   8  0.12  11  0.30  molprobity     1  True   
 10   10  ?         108.5    40.1  Allowed   3   4  0.23   5  0.23  molprobity     1  True   
 11   11  m-85      -90.1   153.7  Favored   9  13  0.24  18  0.21  molprobity     1  True   
 12   12  t         -90.0   153.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
 13   13  m         -80.0   125.0  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 14   14  p        -149.9   173.7  Favored   4   6  0.19   8  0.24  molprobity     1  True   
 15   15  ptp85    -100.4   135.8  Favored  13  11  0.17  14  0.25  molprobity     1  True   
 16   16  mm?       -90.2   145.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 17   17  mm-40     -52.0   -45.9  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 18   18  t         -52.1   -36.0  Favored   5   6  0.17   8  0.30  molprobity     1  True   
 19   19  ?         112.8    47.8  Allowed   3   4  0.25   5  0.23  molprobity     1  True   
 20   20  ?        -132.1   157.3  Favored   5   5  0.16   7  0.23  molprobity     1  True   
 21   21  m95       -94.3    95.2  Favored  10  16  0.13  23  0.21  molprobity     1  True   
 22   22  ?        -130.8  -171.1  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 23   23  p        -122.8   129.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 24   24  p             ?       ?  ?         4   5  0.16   5  0.19  molprobity     1  True   
 25   25  p             ?       ?  ?         6   6  0.18   8  0.25  molprobity     ?  False  
 26   26  m-20     -152.2   173.3  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 27   27  ttm       -65.9   -41.2  Favored   9   8  0.23  10  0.25  molprobity     1  True   
 28   28  mt-10     -90.5   -44.5  Favored   6   9  0.19  12  0.26  molprobity     1  True   
 29   29  t         -98.6    95.5  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 30   30  m         -98.3   147.3  Favored   5   6  0.21   8  0.22  molprobity     1  True   
 31   31  m        -125.6    73.4  Favored   4   6  0.17   9  0.63  molprobity     1  True   
 32   32  Cg_endo   -69.7   -33.3  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 33   33  m-20      -52.0   -30.7  Favored   4   8  0.13  11  0.29  molprobity     1  True   
 34   34  ?         109.9    39.8  Allowed   3   4  0.23   5  0.21  molprobity     1  True   
 35   35  m-85      -91.3   164.4  Favored   9  13  0.24  18  0.23  molprobity     1  True   
 36   36  m         -90.8   153.1  Favored   7   7  0.22  10  0.55  molprobity     1  True   
 37   37  t         -88.1   126.2  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 38   38  p        -147.1   164.5  Favored   4   6  0.19   8  0.24  molprobity     1  True   
 39   39  mpt_?    -100.7   143.6  Favored  13  11  0.17  14  0.24  molprobity     1  True   
 40   40  mt        -92.5   141.2  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 41   41  tt0       -52.4   -41.6  Favored   8   9  0.20  12  0.26  molprobity     1  True   
 42   42  p         -54.2   -36.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
 43   43  ?         113.5    50.0  Allowed   3   4  0.25   5  0.23  molprobity     1  True   
 44   44  ?        -144.3   176.6  Favored   5   5  0.16   7  0.25  molprobity     1  True   
 45   45  m95       -93.6   139.5  Favored  10  16  0.14  23  0.22  molprobity     1  True   
 46   46  ?        -166.0  -178.2  Favored   3   4  0.25   5  0.22  molprobity     1  True   
 47   47  m        -112.8   161.8  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 48   48  m             ?       ?  ?         4   5  0.15   5  0.20  molprobity     1  True   
 49   49  m             ?       ?  ?         6   6  0.21   8  0.23  molprobity     ?  False  
 50   50  p30      -154.7  -176.2  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 51   51  OUTLIER   -58.8   -50.9  Favored   9   8  0.23  10  0.25  molprobity     1  True   
 52   52  tp10      -52.2   -67.0  Allowed   6   9  0.21  12  0.26  molprobity     1  True   
 53   53  t        -109.6   124.6  Favored   9   7  0.17  10  0.45  molprobity     1  True   
 54   54  p        -140.3  -170.7  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 55   55  m        -114.2    73.5  Favored   4   6  0.14   9  0.62  molprobity     1  True   
 56   56  Cg_endo   -69.8   -33.7  Favored   7   8  0.14  11  0.27  molprobity     1  True   
 57   57  OUTLIER   -52.1   -30.8  Favored   4   8  0.14  11  0.29  molprobity     1  True   
 58   58  ?         109.9    40.0  Allowed   3   4  0.26   5  0.23  molprobity     1  True   
 59   59  m-85     -114.9   179.9  Favored   9  13  0.25  18  0.22  molprobity     1  True   
 60   60  m         -91.0   149.9  Favored   7   7  0.21  10  0.56  molprobity     1  True   
 61   61  m         -82.5   105.0  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 62   62  m        -120.3   164.9  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 63   63  ptp85    -116.4   144.0  Favored  13  11  0.17  14  0.25  molprobity     1  True   
 64   64  mp        -90.6   145.9  Favored  11   8  0.18  11  0.25  molprobity     1  True   
 65   65  tt0       -52.3   -43.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
 66   66  p         -52.0   -36.0  Favored   5   6  0.16   8  0.31  molprobity     1  True   
 67   67  ?         114.0    44.2  Allowed   3   4  0.25   5  0.23  molprobity     1  True   
 68   68  ?        -133.3  -177.7  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 69   69  p-90      -90.1   151.1  Favored  10  16  0.14  23  0.22  molprobity     1  True   
 70   70  ?        -164.2   152.4  Favored   3   4  0.23   5  0.21  molprobity     1  True   
 71   71  m        -115.2   133.1  Favored   4   6  0.20   8  0.23  molprobity     1  True   
 72   72  m             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
 73   73  t             ?       ?  ?         6   6  0.20   8  0.24  molprobity     ?  False  
 74   74  m-20     -135.6   156.5  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 75   75  ptt?      -59.6   -42.4  Favored   9   8  0.22  10  0.24  molprobity     1  True   
 76   76  tp10      -83.4   -51.9  Favored   6   9  0.21  12  0.26  molprobity     1  True   
 77   77  t         -90.0   116.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 78   78  t        -128.1   169.0  Favored   5   6  0.20   8  0.23  molprobity     1  True   
 79   79  m        -129.4    73.6  Favored   4   6  0.17   9  0.63  molprobity     1  True   
 80   80  Cg_endo   -69.7   -33.0  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 81   81  t70       -51.9   -30.8  Favored   4   8  0.13  11  0.29  molprobity     1  True   
 82   82  ?         110.0    40.0  Allowed   3   4  0.24   5  0.23  molprobity     1  True   
 83   83  m-85     -132.3   179.7  Favored   9  13  0.25  18  0.22  molprobity     1  True   
 84   84  t         -90.1   155.9  Favored   7   7  0.21  10  0.55  molprobity     1  True   
 85   85  p         -80.0   132.2  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 86   86  m        -138.9   180.0  Favored   4   6  0.20   8  0.24  molprobity     1  True   
 87   87  OUTLIER  -130.4   136.1  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 88   88  mp        -90.0   147.9  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 89   89  mm-40     -52.0   -50.2  Favored   8   9  0.21  12  0.27  molprobity     1  True   
 90   90  m         -52.1   -35.9  Favored   5   6  0.17   8  0.30  molprobity     1  True   
 91   91  ?         115.4    33.7  Allowed   3   4  0.22   5  0.21  molprobity     1  True   
 92   92  ?        -113.2   165.2  Favored   5   5  0.18   7  0.24  molprobity     1  True   
 93   93  p-90      -90.1   138.0  Favored  10  16  0.13  23  0.22  molprobity     1  True   
 94   94  ?        -154.5   177.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 95   95  m        -134.5   133.9  Favored   4   6  0.20   8  0.25  molprobity     1  True   
 96   96  m             ?       ?  ?         4   5  0.15   5  0.20  molprobity     1  True   
 97   97  p             ?       ?  ?         6   6  0.19   8  0.23  molprobity     ?  False  
 98   98  m-20     -160.2   175.2  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 99   99  ptm       -72.9   -38.8  Favored   9   8  0.22  10  0.25  molprobity     1  True   
100  100  pt-20     -74.8   -36.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
101  101  p        -127.7   126.7  Favored   9   7  0.15  10  0.45  molprobity     1  True   
102  102  t        -108.4   164.6  Favored   5   6  0.21   8  0.24  molprobity     1  True   
103  103  m        -115.5    73.4  Favored   4   6  0.17   9  0.63  molprobity     1  True   
104  104  Cg_endo   -69.8   -33.2  Favored   7   8  0.16  11  0.27  molprobity     1  True   
105  105  m-20      -51.9   -30.8  Favored   4   8  0.14  11  0.30  molprobity     1  True   
106  106  ?         109.8    40.0  Allowed   3   4  0.26   5  0.22  molprobity     1  True   
107  107  m-85     -105.6   149.1  Favored   9  13  0.24  18  0.23  molprobity     1  True   
108  108  t         -90.2   174.2  Favored   7   7  0.21  10  0.56  molprobity     1  True   
109  109  m         -80.0   132.6  Favored   4   6  0.18   8  0.26  molprobity     1  True   
110  110  m        -146.4   139.5  Favored   4   6  0.18   8  0.23  molprobity     1  True   
111  111  ttm180    -92.9   145.8  Favored  13  11  0.15  14  0.26  molprobity     1  True   
112  112  mp        -90.1   156.3  Favored  11   8  0.18  11  0.24  molprobity     1  True   
113  113  pm0       -52.0   -35.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
114  114  t         -68.8   -36.0  Favored   5   6  0.17   8  0.30  molprobity     1  True   
115  115  ?         115.3    35.8  Allowed   3   4  0.23   5  0.21  molprobity     1  True   
116  116  ?        -113.4   170.1  Favored   5   5  0.17   7  0.23  molprobity     1  True   
117  117  m95       -90.7   143.2  Favored  10  16  0.14  23  0.22  molprobity     1  True   
118  118  ?        -168.8  -176.9  Favored   3   4  0.25   5  0.21  molprobity     1  True   
119  119  OUTLIER  -119.7   143.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
120  120  p             ?       ?  ?         4   5  0.15   5  0.20  molprobity     1  True   
121  121  m             ?       ?  ?         6   6  0.20   8  0.25  molprobity     ?  False  
122  122  t70      -111.3   159.7  Favored   4   8  0.15  11  0.23  molprobity     1  True   
123  123  ttt       -58.7   -58.6  Favored   9   8  0.22  10  0.26  molprobity     1  True   
124  124  tp10      -61.7   -57.2  Favored   6   9  0.19  12  0.26  molprobity     1  True   
125  125  t        -111.5   125.3  Favored   9   7  0.15  10  0.45  molprobity     1  True   
126  126  t        -129.8  -172.1  Favored   5   6  0.19   8  0.24  molprobity     1  True   
127  127  m        -114.9    73.6  Favored   4   6  0.16   9  0.63  molprobity     1  True   
128  128  Cg_endo   -69.8   -33.0  Favored   7   8  0.15  11  0.28  molprobity     1  True   
129  129  m-20      -51.9   -30.8  Favored   4   8  0.13  11  0.30  molprobity     1  True   
130  130  ?         110.0    40.0  Allowed   3   4  0.24   5  0.23  molprobity     1  True   
131  131  m-85      -90.8   168.8  Favored   9  13  0.25  18  0.23  molprobity     1  True   
132  132  m         -90.1   137.7  Favored   7   7  0.22  10  0.55  molprobity     1  True   
133  133  t         -80.4   125.0  Favored   4   6  0.20   8  0.24  molprobity     1  True   
134  134  m        -135.2   154.4  Favored   4   6  0.18   8  0.25  molprobity     1  True   
135  135  ttp85    -106.8   136.0  Favored  13  11  0.17  14  0.25  molprobity     1  True   
136  136  mt        -92.9   131.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
137  137  pt20      -53.6   -37.2  Favored   8   9  0.21  12  0.27  molprobity     1  True   
138  138  p         -52.1   -36.0  Favored   5   6  0.18   8  0.31  molprobity     1  True   
139  139  ?         118.3    42.8  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
140  140  ?        -141.1   177.7  Favored   5   5  0.15   7  0.25  molprobity     1  True   
141  141  p-90     -108.4   143.4  Favored  10  16  0.13  23  0.22  molprobity     1  True   
142  142  ?        -157.2  -178.0  Favored   3   4  0.23   5  0.20  molprobity     1  True   
143  143  OUTLIER  -126.0   166.0  Favored   4   6  0.18   8  0.25  molprobity     1  True   
144  144  m             ?       ?  ?         4   5  0.13   5  0.20  molprobity     1  True   
145  145  t             ?       ?  ?         6   6  0.21   8  0.24  molprobity     ?  False  
146  146  OUTLIER  -109.3  -177.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
147  147  OUTLIER   -68.9   -35.8  Favored   9   8  0.21  10  0.25  molprobity     1  True   
148  148  pt-20    -147.8    36.6  Allowed   6   9  0.19  12  0.27  molprobity     1  True   
149  149  t        -149.5   134.1  Favored   9   7  0.16  10  0.46  molprobity     1  True   
150  150  OUTLIER  -129.8   167.8  Favored   5   6  0.19   8  0.23  molprobity     1  True   
151  151  m        -122.9    73.4  Favored   4   6  0.15   9  0.63  molprobity     1  True   
152  152  Cg_endo   -69.8   -33.2  Favored   7   8  0.14  11  0.27  molprobity     1  True   
153  153  OUTLIER   -52.2   -30.8  Favored   4   8  0.13  11  0.30  molprobity     1  True   
154  154  ?         107.5    38.6  Favored   3   4  0.25   5  0.22  molprobity     1  True   
155  155  m-85     -111.9   171.4  Favored   9  13  0.25  18  0.22  molprobity     1  True   
156  156  t         -96.4   151.0  Favored   7   7  0.22  10  0.55  molprobity     1  True   
157  157  m         -81.6   124.3  Favored   4   6  0.20   8  0.24  molprobity     1  True   
158  158  m        -122.2   172.3  Favored   4   6  0.19   8  0.24  molprobity     1  True   
159  159  ptm180   -121.8   133.1  Favored  13  11  0.16  14  0.27  molprobity     1  True   
160  160  mm?       -93.6   140.5  Favored  11   8  0.18  11  0.24  molprobity     1  True   
161  161  tt0       -57.2   -36.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
162  162  t         -53.8   -36.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
163  163  ?         119.3    37.6  Allowed   3   4  0.23   5  0.22  molprobity     1  True   
164  164  ?        -131.6   167.7  Favored   5   5  0.17   7  0.24  molprobity     1  True   
165  165  m95      -106.4   112.2  Favored  10  16  0.13  23  0.22  molprobity     1  True   
166  166  ?        -111.7  -169.9  Favored   3   4  0.24   5  0.21  molprobity     1  True   
167  167  t        -142.8   123.0  Favored   4   6  0.21   8  0.23  molprobity     1  True   
168  168  m             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
169  169  m             ?       ?  ?         6   6  0.17   8  0.25  molprobity     ?  False  
170  170  m-20     -151.1   175.6  Favored   4   8  0.14  11  0.24  molprobity     1  True   
171  171  mtt       -68.7   -41.0  Favored   9   8  0.22  10  0.25  molprobity     1  True   
172  172  mm-40     -64.6   -49.9  Favored   6   9  0.18  12  0.27  molprobity     1  True   
173  173  p        -128.4   137.7  Favored   9   7  0.15  10  0.46  molprobity     1  True   
174  174  t        -135.2   171.9  Favored   5   6  0.20   8  0.23  molprobity     1  True   
175  175  m        -135.6    73.5  Favored   4   6  0.15   9  0.62  molprobity     1  True   
176  176  Cg_endo   -69.8   -32.7  Favored   7   8  0.14  11  0.28  molprobity     1  True   
177  177  m-20      -51.7   -30.7  Favored   4   8  0.13  11  0.30  molprobity     1  True   
178  178  ?         110.0    40.0  Allowed   3   4  0.24   5  0.21  molprobity     1  True   
179  179  m-85      -92.6   170.6  Favored   9  13  0.25  18  0.22  molprobity     1  True   
180  180  m         -90.0   138.9  Favored   7   7  0.22  10  0.56  molprobity     1  True   
181  181  m         -89.7   122.0  Favored   4   6  0.20   8  0.24  molprobity     1  True   
182  182  m        -122.1   179.9  Favored   4   6  0.17   8  0.24  molprobity     1  True   
183  183  mpp_?    -116.1   145.1  Favored  13  11  0.16  14  0.26  molprobity     1  True   
184  184  mt       -112.2   130.6  Favored  11   8  0.19  11  0.23  molprobity     1  True   
185  185  tp60      -55.0   -36.7  Favored   8   9  0.21  12  0.26  molprobity     1  True   
186  186  p         -52.5   -36.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
187  187  ?         119.6    41.7  Allowed   3   4  0.21   5  0.22  molprobity     1  True   
188  188  ?        -144.0   174.1  Favored   5   5  0.17   7  0.23  molprobity     1  True   
189  189  m95      -111.0   111.5  Favored  10  16  0.13  23  0.21  molprobity     1  True   
190  190  ?        -112.8   179.7  Favored   3   4  0.24   5  0.21  molprobity     1  True   
191  191  OUTLIER  -119.5   156.4  Favored   4   6  0.20   8  0.24  molprobity     1  True   
192  192  m             ?       ?  ?         4   5  0.14   5  0.20  molprobity     1  True   
193  193  p             ?       ?  ?         6   6  0.18   8  0.25  molprobity     ?  False  
194  194  m-20     -120.2   175.8  Favored   4   8  0.15  11  0.23  molprobity     1  True   
195  195  ttm       -60.1   -38.0  Favored   9   8  0.23  10  0.25  molprobity     1  True   
196  196  tt0       -67.6   -71.8  Allowed   6   9  0.18  12  0.26  molprobity     1  True   
197  197  p         -98.6   140.1  Favored   9   7  0.15  10  0.45  molprobity     1  True   
198  198  p        -121.6   134.0  Favored   5   6  0.21   8  0.24  molprobity     1  True   
199  199  m        -114.0    73.7  Favored   4   6  0.16   9  0.62  molprobity     1  True   
200  200  Cg_endo   -69.8   -32.2  Favored   7   8  0.13  11  0.28  molprobity     1  True   
201  201  m-20      -51.6   -30.7  Favored   4   8  0.13  11  0.30  molprobity     1  True   
202  202  ?         110.0    40.1  Allowed   3   4  0.22   5  0.22  molprobity     1  True   
203  203  m-85     -112.5   151.7  Favored   9  13  0.25  18  0.23  molprobity     1  True   
204  204  m         -91.5   139.6  Favored   7   7  0.23  10  0.56  molprobity     1  True   
205  205  m         -80.0   111.6  Favored   4   6  0.19   8  0.23  molprobity     1  True   
206  206  p        -134.8  -180.0  Favored   4   6  0.18   8  0.25  molprobity     1  True   
207  207  OUTLIER  -106.5   134.7  Favored  13  11  0.16  14  0.25  molprobity     1  True   
208  208  mp        -90.1   148.9  Favored  11   8  0.18  11  0.25  molprobity     1  True   
209  209  OUTLIER   -52.0   -35.6  Favored   8   9  0.21  12  0.26  molprobity     1  True   
210  210  t         -52.8   -36.1  Favored   5   6  0.16   8  0.31  molprobity     1  True   
211  211  ?         110.6    45.9  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
212  212  ?        -146.5   165.2  Favored   5   5  0.16   7  0.25  molprobity     1  True   
213  213  p-90      -93.9   133.7  Favored  10  16  0.14  23  0.22  molprobity     1  True   
214  214  ?        -167.7   170.8  Favored   3   4  0.21   5  0.22  molprobity     1  True   
215  215  OUTLIER   -95.2   135.6  Favored   4   6  0.18   8  0.25  molprobity     1  True   
216  216  p             ?       ?  ?         4   5  0.15   5  0.20  molprobity     1  True   
217  217  p             ?       ?  ?         6   6  0.19   8  0.25  molprobity     ?  False  
218  218  m-20     -152.3   171.4  Favored   4   8  0.15  11  0.25  molprobity     1  True   
219  219  ttp       -52.5   -46.5  Favored   9   8  0.22  10  0.25  molprobity     1  True   
220  220  tt0       -66.6   -60.6  Favored   6   9  0.19  12  0.26  molprobity     1  True   
221  221  t        -102.1   103.2  Favored   9   7  0.15  10  0.45  molprobity     1  True   
222  222  p         -98.7   164.1  Favored   5   6  0.18   8  0.24  molprobity     1  True   
223  223  m        -114.2    73.8  Favored   4   6  0.16   9  0.63  molprobity     1  True   
224  224  Cg_endo   -69.8   -32.3  Favored   7   8  0.15  11  0.27  molprobity     1  True   
225  225  m-20      -51.6   -30.7  Favored   4   8  0.12  11  0.29  molprobity     1  True   
226  226  ?         110.0    40.0  Allowed   3   4  0.23   5  0.21  molprobity     1  True   
227  227  m-85      -99.2   157.8  Favored   9  13  0.25  18  0.22  molprobity     1  True   
228  228  p         -90.0   162.0  Favored   7   7  0.22  10  0.56  molprobity     1  True   
229  229  m         -90.6   122.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
230  230  p        -148.5   179.6  Favored   4   6  0.19   8  0.24  molprobity     1  True   
231  231  ptt180   -117.0   157.0  Favored  13  11  0.14  14  0.26  molprobity     1  True   
232  232  mm?       -96.4   148.2  Favored  11   8  0.20  11  0.25  molprobity     1  True   
233  233  tm0?      -53.4   -41.4  Favored   8   9  0.21  12  0.26  molprobity     1  True   
234  234  m         -53.2   -36.0  Favored   5   6  0.18   8  0.31  molprobity     1  True   
235  235  ?         116.9    41.0  Allowed   3   4  0.23   5  0.21  molprobity     1  True   
236  236  ?        -130.5  -176.4  Favored   5   5  0.16   7  0.25  molprobity     1  True   
237  237  p-90     -104.8   157.8  Favored  10  16  0.13  23  0.22  molprobity     1  True   
238  238  ?         170.2  -175.6  Favored   3   4  0.23   5  0.22  molprobity     1  True   
239  239  OUTLIER  -103.7   168.1  Favored   4   6  0.18   8  0.24  molprobity     1  True   
240  240  m             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
241  241  m             ?       ?  ?         6   6  0.18   8  0.24  molprobity     ?  False  
242  242  t70      -168.0   171.7  Favored   4   8  0.16  11  0.24  molprobity     1  True   
243  243  ttm       -61.2   -49.0  Favored   9   8  0.22  10  0.25  molprobity     1  True   
244  244  mt-10     -57.0   -47.0  Favored   6   9  0.19  12  0.26  molprobity     1  True   
245  245  m        -122.9   112.6  Favored   9   7  0.15  10  0.45  molprobity     1  True   
246  246  m        -112.9  -179.4  Favored   5   6  0.19   8  0.24  molprobity     1  True   
247  247  t        -128.7    73.7  Favored   4   6  0.14   9  0.62  molprobity     1  True   
248  248  Cg_endo   -69.8   -32.3  Favored   7   8  0.15  11  0.27  molprobity     1  True   
249  249  m-20      -51.5   -30.9  Favored   4   8  0.13  11  0.30  molprobity     1  True   
250  250  ?         102.3    40.0  Favored   3   4  0.26   5  0.23  molprobity     1  True   
251  251  m-85     -120.1   173.0  Favored   9  13  0.24  18  0.23  molprobity     1  True   
252  252  m         -96.9   156.0  Favored   7   7  0.23  10  0.55  molprobity     1  True   
253  253  m         -80.5   110.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
254  254  m        -116.5   179.2  Favored   4   6  0.20   8  0.24  molprobity     1  True   
255  255  mtm180   -110.4   148.2  Favored  13  11  0.15  14  0.25  molprobity     1  True   
256  256  mt       -104.7   134.0  Favored  11   8  0.18  11  0.23  molprobity     1  True   
257  257  tt0       -55.3   -39.0  Favored   8   9  0.21  12  0.26  molprobity     1  True   
258  258  m         -53.5   -36.0  Favored   5   6  0.16   8  0.30  molprobity     1  True   
259  259  ?         118.0    44.5  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
260  260  ?        -142.8   174.2  Favored   5   5  0.18   7  0.24  molprobity     1  True   
261  261  m95      -103.2   123.8  Favored  10  16  0.14  23  0.22  molprobity     1  True   
262  262  ?        -138.2  -179.5  Favored   3   4  0.24   5  0.22  molprobity     1  True   
263  263  OUTLIER  -117.4   117.0  Favored   4   6  0.17   8  0.25  molprobity     1  True   
264  264  p             ?       ?  ?         4   5  0.16   5  0.21  molprobity     1  True   
265  265  m             ?       ?  ?         6   6  0.18   8  0.25  molprobity     ?  False  
266  266  t70      -149.3   172.2  Favored   4   8  0.15  11  0.24  molprobity     1  True   
267  267  OUTLIER   -56.2   -53.8  Favored   9   8  0.23  10  0.25  molprobity     1  True   
268  268  mt-10     -53.4   -41.8  Favored   6   9  0.20  12  0.26  molprobity     1  True   
269  269  t        -119.4    95.3  Favored   9   7  0.14  10  0.46  molprobity     1  True   
270  270  t        -106.5  -178.6  Favored   5   6  0.18   8  0.24  molprobity     1  True   
271  271  t        -150.1    74.0  Favored   4   6  0.16   9  0.62  molprobity     1  True   
272  272  Cg_endo   -69.8   -31.6  Favored   7   8  0.14  11  0.27  molprobity     1  True   
273  273  m-20      -51.4   -30.7  Favored   4   8  0.13  11  0.30  molprobity     1  True   
274  274  ?         107.2    40.0  Allowed   3   4  0.26   5  0.22  molprobity     1  True   
275  275  m-85     -126.6   179.9  Favored   9  13  0.24  18  0.22  molprobity     1  True   
276  276  m        -103.4   132.2  Favored   7   7  0.22  10  0.56  molprobity     1  True   
277  277  p         -80.0   131.2  Favored   4   6  0.21   8  0.24  molprobity     1  True   
278  278  p        -149.9   179.6  Favored   4   6  0.19   8  0.24  molprobity     1  True   
279  279  ttt-85   -104.5   136.4  Favored  13  11  0.17  14  0.25  molprobity     1  True   
280  280  mm?       -90.0   130.0  Favored  11   8  0.19  11  0.23  molprobity     1  True   
281  281  tt0       -53.9   -40.1  Favored   8   9  0.21  12  0.26  molprobity     1  True   
282  282  p         -52.2   -36.0  Favored   5   6  0.16   8  0.30  molprobity     1  True   
283  283  ?         120.0    49.6  Allowed   3   4  0.25   5  0.21  molprobity     1  True   
284  284  ?        -151.5   173.2  Favored   5   5  0.18   7  0.24  molprobity     1  True   
285  285  p-90     -113.3   139.1  Favored  10  16  0.12  23  0.22  molprobity     1  True   
286  286  ?        -168.4  -175.1  Favored   3   4  0.22   5  0.22  molprobity     1  True   
287  287  m        -113.2   112.7  Favored   4   6  0.18   8  0.25  molprobity     1  True   
288  288  p             ?       ?  ?         4   5  0.16   5  0.19  molprobity     1  True   
289  289  t             ?       ?  ?         6   6  0.19   8  0.24  molprobity     ?  False  
290  290  m-20     -102.3   176.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
291  291  ttt       -60.4   -40.5  Favored   9   8  0.20  10  0.25  molprobity     1  True   
292  292  pt-20     -91.7   -38.2  Favored   6   9  0.20  12  0.27  molprobity     1  True   
293  293  t         -90.3   101.1  Favored   9   7  0.15  10  0.45  molprobity     1  True   
294  294  p        -102.1  -175.1  Favored   5   6  0.21   8  0.23  molprobity     1  True   
295  295  t        -113.7    74.0  Favored   4   6  0.17   9  0.63  molprobity     1  True   
296  296  Cg_endo   -69.8   -31.6  Favored   7   8  0.15  11  0.27  molprobity     1  True   
297  297  m-20      -51.5   -30.7  Favored   4   8  0.14  11  0.29  molprobity     1  True   
298  298  ?         102.7    40.0  Favored   3   4  0.24   5  0.21  molprobity     1  True   
299  299  m-85     -125.7  -179.9  Favored   9  13  0.26  18  0.22  molprobity     1  True   
300  300  OUTLIER   -95.5   166.0  Favored   7   7  0.23  10  0.55  molprobity     1  True   
301  301  m         -79.9   123.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
302  302  m        -138.7   176.9  Favored   4   6  0.17   8  0.25  molprobity     1  True   
303  303  OUTLIER  -129.1   168.1  Favored  13  11  0.17  14  0.25  molprobity     1  True   
304  304  mp       -109.9   151.0  Favored  11   8  0.18  11  0.24  molprobity     1  True   
305  305  tm0?      -51.9   -45.0  Favored   8   9  0.20  12  0.27  molprobity     1  True   
306  306  m         -52.5   -36.0  Favored   5   6  0.18   8  0.31  molprobity     1  True   
307  307  ?         116.7    49.4  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
308  308  ?        -134.3   172.7  Favored   5   5  0.18   7  0.24  molprobity     1  True   
309  309  p-90      -92.7   160.8  Favored  10  16  0.13  23  0.21  molprobity     1  True   
310  310  ?         175.7  -171.2  Favored   3   4  0.26   5  0.22  molprobity     1  True   
311  311  m        -130.6   143.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
312  312  p             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
313  313  p             ?       ?  ?         6   6  0.19   8  0.24  molprobity     ?  False  
314  314  m-20     -109.8   152.6  Favored   4   8  0.14  11  0.25  molprobity     1  True   
315  315  ptt?      -55.9   -42.8  Favored   9   8  0.23  10  0.25  molprobity     1  True   
316  316  tp10      -76.7   -50.3  Favored   6   9  0.20  12  0.27  molprobity     1  True   
317  317  t        -105.1   116.7  Favored   9   7  0.15  10  0.44  molprobity     1  True   
318  318  p        -121.7   176.4  Favored   5   6  0.17   8  0.23  molprobity     1  True   
319  319  m        -137.6    73.5  Favored   4   6  0.15   9  0.63  molprobity     1  True   
320  320  Cg_endo   -69.7   -33.1  Favored   7   8  0.15  11  0.27  molprobity     1  True   
321  321  OUTLIER   -52.0   -30.7  Favored   4   8  0.13  11  0.30  molprobity     1  True   
322  322  ?         110.0    40.0  Allowed   3   4  0.23   5  0.22  molprobity     1  True   
323  323  m-85     -131.9   170.4  Favored   9  13  0.24  18  0.22  molprobity     1  True   
324  324  p         -90.2   161.3  Favored   7   7  0.23  10  0.55  molprobity     1  True   
325  325  m         -82.2   119.1  Favored   4   6  0.20   8  0.23  molprobity     1  True   
326  326  p        -150.0   177.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
327  327  ppt_?    -123.5   154.7  Favored  13  11  0.16  14  0.24  molprobity     1  True   
328  328  mp       -104.4   166.6  Favored  11   8  0.19  11  0.23  molprobity     1  True   
329  329  mt-30     -51.9   -42.2  Favored   8   9  0.21  12  0.27  molprobity     1  True   
330  330  t         -52.0   -34.9  Favored   5   6  0.17   8  0.30  molprobity     1  True   
331  331  ?         120.1   -30.3  Favored   3   4  0.24   5  0.22  molprobity     1  True   
332  332  ?         -63.9   162.0  Favored   5   5  0.19   7  0.24  molprobity     1  True   
333  333  p-90      -90.0   147.1  Favored  10  16  0.13  23  0.21  molprobity     1  True   
334  334  ?        -147.6   171.1  Favored   3   4  0.23   5  0.21  molprobity     1  True   
335  335  m        -111.8    92.3  Favored   4   6  0.18   8  0.26  molprobity     1  True   
336  336  p             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
337  337  t             ?       ?  ?         6   6  0.21   8  0.24  molprobity     ?  False  
338  338  t70      -132.3   174.9  Favored   4   8  0.15  11  0.24  molprobity     1  True   
339  339  OUTLIER   -70.2   -37.0  Favored   9   8  0.22  10  0.25  molprobity     1  True   
340  340  pt-20    -106.1   -42.4  Favored   6   9  0.19  12  0.26  molprobity     1  True   
341  341  t         -95.5   112.0  Favored   9   7  0.16  10  0.46  molprobity     1  True   
342  342  p        -117.0   158.6  Favored   5   6  0.21   8  0.23  molprobity     1  True   
343  343  t        -114.3    73.7  Favored   4   6  0.16   9  0.63  molprobity     1  True   
344  344  Cg_endo   -69.8   -32.3  Favored   7   8  0.14  11  0.28  molprobity     1  True   
345  345  m-20      -51.6   -30.7  Favored   4   8  0.14  11  0.30  molprobity     1  True   
346  346  ?         101.6    40.0  Favored   3   4  0.21   5  0.22  molprobity     1  True   
347  347  m-85     -123.0   179.7  Favored   9  13  0.24  18  0.23  molprobity     1  True   
348  348  p        -105.4   146.8  Favored   7   7  0.23  10  0.56  molprobity     1  True   
349  349  m         -80.1   101.0  Favored   4   6  0.18   8  0.25  molprobity     1  True   
350  350  p        -130.0   161.5  Favored   4   6  0.18   8  0.24  molprobity     1  True   
351  351  mtp85     -94.2   147.6  Favored  13  11  0.16  14  0.27  molprobity     1  True   
352  352  mp        -98.4   174.4  Favored  11   8  0.17  11  0.24  molprobity     1  True   
353  353  tt0       -52.0   -48.1  Favored   8   9  0.21  12  0.26  molprobity     1  True   
354  354  m         -52.0   -35.5  Favored   5   6  0.15   8  0.31  molprobity     1  True   
355  355  ?         120.1   -30.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
356  356  ?         -61.0   172.0  Allowed   5   5  0.17   7  0.24  molprobity     1  True   
357  357  p-90      -90.0   170.2  Favored  10  16  0.14  23  0.22  molprobity     1  True   
358  358  ?         175.3   165.1  Favored   3   4  0.22   5  0.22  molprobity     1  True   
359  359  m        -103.3   120.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
360  360  p             ?       ?  ?         4   5  0.15   5  0.21  molprobity     1  True   
361  361  m             ?       ?  ?         6   6  0.19   8  0.24  molprobity     ?  False  
362  362  t70      -174.7   176.0  Favored   4   8  0.15  11  0.23  molprobity     1  True   
363  363  mtm       -58.4   -36.9  Favored   9   8  0.22  10  0.25  molprobity     1  True   
364  364  mm-40     -60.9   -54.9  Favored   6   9  0.19  12  0.26  molprobity     1  True   
365  365  p        -126.4   129.4  Favored   9   7  0.14  10  0.45  molprobity     1  True   
366  366  t        -114.0  -175.0  Favored   5   6  0.20   8  0.23  molprobity     1  True   
367  367  t        -114.3    73.4  Favored   4   6  0.15   9  0.63  molprobity     1  True   
368  368  Cg_endo   -69.7   -32.7  Favored   7   8  0.14  11  0.28  molprobity     1  True   
369  369  m-20      -51.8   -30.8  Favored   4   8  0.13  11  0.30  molprobity     1  True   
370  370  ?          99.4    39.9  Favored   3   4  0.25   5  0.22  molprobity     1  True   
371  371  m-85     -118.8   176.4  Favored   9  13  0.26  18  0.22  molprobity     1  True   
372  372  m         -92.0   159.7  Favored   7   7  0.23  10  0.55  molprobity     1  True   
373  373  t         -80.0   128.9  Favored   4   6  0.18   8  0.26  molprobity     1  True   
374  374  m        -148.3   177.2  Favored   4   6  0.17   8  0.25  molprobity     1  True   
375  375  OUTLIER  -126.9   148.5  Favored  13  11  0.17  14  0.24  molprobity     1  True   
376  376  mm?      -102.6   166.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
377  377  tp-100    -51.9   -42.8  Favored   8   9  0.21  12  0.26  molprobity     1  True   
378  378  m         -52.1   -34.9  Favored   5   6  0.17   8  0.32  molprobity     1  True   
379  379  ?         120.2   -30.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
380  380  ?         -64.0   164.9  Favored   5   5  0.17   7  0.24  molprobity     1  True   
381  381  m95       -90.0   149.8  Favored  10  16  0.14  23  0.21  molprobity     1  True   
382  382  ?        -151.7   176.2  Favored   3   4  0.26   5  0.20  molprobity     1  True   
383  383  m        -104.1   109.0  Favored   4   6  0.20   8  0.25  molprobity     1  True   
384  384  p             ?       ?  ?         4   5  0.17   5  0.20  molprobity     1  True   
385  385  m             ?       ?  ?         6   6  0.19   8  0.26  molprobity     ?  False  
386  386  t70      -101.0   175.8  Favored   4   8  0.15  11  0.24  molprobity     1  True   
387  387  ptt?      -65.0   -36.7  Favored   9   8  0.22  10  0.25  molprobity     1  True   
388  388  tp10      -85.3   -46.3  Favored   6   9  0.21  12  0.27  molprobity     1  True   
389  389  t         -98.8   106.2  Favored   9   7  0.16  10  0.46  molprobity     1  True   
390  390  m         -95.1   170.6  Favored   5   6  0.19   8  0.24  molprobity     1  True   
391  391  t        -120.9    73.0  Favored   4   6  0.15   9  0.63  molprobity     1  True   
392  392  Cg_endo   -69.8   -33.1  Favored   7   8  0.15  11  0.27  molprobity     1  True   
393  393  t0        -52.0   -30.8  Favored   4   8  0.12  11  0.29  molprobity     1  True   
394  394  ?          95.9    38.1  Favored   3   4  0.25   5  0.22  molprobity     1  True   
395  395  m-85     -105.8   177.1  Favored   9  13  0.25  18  0.22  molprobity     1  True   
396  396  m         -91.4   163.0  Favored   7   7  0.24  10  0.56  molprobity     1  True   
397  397  m         -79.9   127.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
398  398  m        -138.8   146.5  Favored   4   6  0.17   8  0.25  molprobity     1  True   
399  399  tmt_?     -95.7   131.5  Favored  13  11  0.17  14  0.27  molprobity     1  True   
400  400  mt        -97.5   142.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
401  401  tt0       -52.7   -37.4  Favored   8   9  0.23  12  0.26  molprobity     1  True   
402  402  t         -52.4   -35.9  Favored   5   6  0.17   8  0.30  molprobity     1  True   
403  403  ?         112.3    45.3  Allowed   3   4  0.22   5  0.22  molprobity     1  True   
404  404  ?        -141.8   166.9  Favored   5   5  0.18   7  0.23  molprobity     1  True   
405  405  m95       -94.6    95.1  Favored  10  16  0.14  23  0.23  molprobity     1  True   
406  406  ?        -103.8   175.0  Favored   3   4  0.23   5  0.22  molprobity     1  True   
407  407  m        -119.2   139.4  Favored   4   6  0.20   8  0.24  molprobity     1  True   
408  408  p             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
409  409  t             ?       ?  ?         6   6  0.20   8  0.24  molprobity     ?  False  
410  410  m-20     -166.6   179.8  Favored   4   8  0.16  11  0.24  molprobity     1  True   
411  411  ptp       -52.1   -39.4  Favored   9   8  0.22  10  0.25  molprobity     1  True   
412  412  tp10      -81.6   -36.2  Favored   6   9  0.19  12  0.26  molprobity     1  True   
413  413  t         -93.0    90.4  Favored   9   7  0.16  10  0.46  molprobity     1  True   
414  414  m        -119.7  -175.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
415  415  m         -92.1   160.5  Favored   4   6  0.14   9  0.62  molprobity     1  True   
416  416  Cg_endo   -69.7   -48.3  Allowed   7   8  0.15  11  0.27  molprobity     1  True   
417  417  m-20      -70.4   -30.8  Favored   4   8  0.14  11  0.29  molprobity     1  True   
418  418  ?         110.0    35.4  Favored   3   4  0.24   5  0.23  molprobity     1  True   
419  419  m-85      -92.9  -180.0  Favored   9  13  0.24  18  0.22  molprobity     1  True   
420  420  p         -90.0   154.1  Favored   7   7  0.23  10  0.57  molprobity     1  True   
421  421  t         -80.0   138.8  Favored   4   6  0.20   8  0.25  molprobity     1  True   
422  422  OUTLIER  -128.0   179.9  Favored   4   6  0.20   8  0.24  molprobity     1  True   
423  423  ptp180   -118.1   115.0  Favored  13  11  0.16  14  0.26  molprobity     1  True   
424  424  mm?       -90.1   144.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
425  425  tt0       -52.0   -43.5  Favored   8   9  0.20  12  0.26  molprobity     1  True   
426  426  p         -54.7   -36.0  Favored   5   6  0.16   8  0.31  molprobity     1  True   
427  427  ?         113.1    48.9  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
428  428  ?        -142.3  -177.1  Favored   5   5  0.18   7  0.23  molprobity     1  True   
429  429  p-90     -107.1   132.2  Favored  10  16  0.15  23  0.21  molprobity     1  True   
430  430  ?        -129.0   172.4  Favored   3   4  0.22   5  0.21  molprobity     1  True   
431  431  m         -90.0   134.3  Favored   4   6  0.19   8  0.24  molprobity     1  True   
432  432  m             ?       ?  ?         4   5  0.14   5  0.20  molprobity     1  True   
433  433  t             ?       ?  ?         6   6  0.19   8  0.24  molprobity     ?  False  
434  434  t0       -172.4   168.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
435  435  mtm       -61.2   -43.0  Favored   9   8  0.22  10  0.24  molprobity     1  True   
436  436  tt0       -93.6   -39.8  Favored   6   9  0.19  12  0.27  molprobity     1  True   
437  437  t         -90.2   122.2  Favored   9   7  0.16  10  0.45  molprobity     1  True   
438  438  m        -143.1   172.2  Favored   5   6  0.17   8  0.25  molprobity     1  True   
439  439  m         -90.2   160.6  Favored   4   6  0.17   9  0.63  molprobity     1  True   
440  440  Cg_endo   -69.8   -47.6  Allowed   7   8  0.15  11  0.28  molprobity     1  True   
441  441  m-20      -52.3   -30.7  Favored   4   8  0.13  11  0.30  molprobity     1  True   
442  442  ?          88.0    40.0  Favored   3   4  0.24   5  0.22  molprobity     1  True   
443  443  m-85      -90.0   179.7  Favored   9  13  0.24  18  0.22  molprobity     1  True   
444  444  t         -90.1   173.7  Favored   7   7  0.22  10  0.56  molprobity     1  True   
445  445  m         -80.1   129.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
446  446  OUTLIER  -123.6   178.7  Favored   4   6  0.18   8  0.25  molprobity     1  True   
447  447  mtt85    -128.1   131.4  Favored  13  11  0.15  14  0.24  molprobity     1  True   
448  448  mp        -90.1   139.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
449  449  tt0       -52.1   -48.7  Favored   8   9  0.22  12  0.26  molprobity     1  True   
450  450  p         -53.8   -36.0  Favored   5   6  0.16   8  0.31  molprobity     1  True   
451  451  ?         119.5    33.7  Allowed   3   4  0.22   5  0.21  molprobity     1  True   
452  452  ?        -115.0   173.9  Favored   5   5  0.19   7  0.23  molprobity     1  True   
453  453  m95      -101.3   140.6  Favored  10  16  0.14  23  0.21  molprobity     1  True   
454  454  ?        -151.9  -171.8  Favored   3   4  0.23   5  0.22  molprobity     1  True   
455  455  p        -128.3   120.7  Favored   4   6  0.19   8  0.23  molprobity     1  True   
456  456  m             ?       ?  ?         4   5  0.16   5  0.20  molprobity     1  True   
457  457  m             ?       ?  ?         6   6  0.20   8  0.24  molprobity     ?  False  
458  458  m-20     -122.4   171.5  Favored   4   8  0.15  11  0.24  molprobity     1  True   
459  459  mtp       -64.5   -47.7  Favored   9   8  0.21  10  0.25  molprobity     1  True   
460  460  mt-10     -69.9   -59.2  Favored   6   9  0.19  12  0.27  molprobity     1  True   
461  461  t         -90.1   117.9  Favored   9   7  0.15  10  0.45  molprobity     1  True   
462  462  t        -114.7   179.8  Favored   5   6  0.20   8  0.24  molprobity     1  True   
463  463  m        -119.2    73.4  Favored   4   6  0.17   9  0.63  molprobity     1  True   
464  464  Cg_endo   -69.7   -33.0  Favored   7   8  0.15  11  0.27  molprobity     1  True   
465  465  m-20      -51.9   -30.8  Favored   4   8  0.15  11  0.30  molprobity     1  True   
466  466  ?         107.1    39.5  Allowed   3   4  0.24   5  0.21  molprobity     1  True   
467  467  m-85     -102.8   158.7  Favored   9  13  0.25  18  0.22  molprobity     1  True   
468  468  p         -90.1   165.7  Favored   7   7  0.22  10  0.55  molprobity     1  True   
469  469  t         -79.8   124.5  Favored   4   6  0.20   8  0.23  molprobity     1  True   
470  470  m        -131.1   179.4  Favored   4   6  0.17   8  0.24  molprobity     1  True   
471  471  OUTLIER  -124.9   132.6  Favored  13  11  0.16  14  0.26  molprobity     1  True   
472  472  mt        -90.0   134.5  Favored  11   8  0.19  11  0.24  molprobity     1  True   
473  473  pt20      -53.1   -36.0  Favored   8   9  0.20  12  0.27  molprobity     1  True   
474  474  t         -52.0   -36.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
475  475  ?         119.6    44.7  Allowed   3   4  0.24   5  0.22  molprobity     1  True   
476  476  ?        -150.0   166.7  Favored   5   5  0.18   7  0.23  molprobity     1  True   
477  477  m95       -96.2   140.7  Favored  10  16  0.13  23  0.22  molprobity     1  True   
478  478  ?        -151.8  -158.5  Favored   3   4  0.23   5  0.22  molprobity     1  True   
479  479  OUTLIER  -135.1   138.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
480  480  p             ?       ?  ?         4   5  0.15   5  0.20  molprobity     1  True   
#
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   53  HG11  1  0.61  2.29  
2   69  CE2   1  0.61  2.29  
3  293  HG11  2  0.58  2.32  
4  309  CH2   2  0.58  2.32  
5  340  HG3   3  0.51  1.82  
6  341  HG23  3  0.51  1.82  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  1        ?     
 3  1        ?     
 4  outlier  ?     
 5  1        ?     
 6  1        ?     
 7  1        ?     
 8  1        ?     
 9  2        ?     
10  1        ?     
11  1        ?     
12  2        ?     
13  1        ?     
14  2        True  
15  2        ?     
16  1        ?     
17  1        ?     
18  3        ?     
19  3        True  
20  1        True  
#
_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  23
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.950
_pdbx_vrpt_cyrange_domain.medoid_model        16
_pdbx_vrpt_cyrange_domain.medoid_rmsd         1.120
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:24
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        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           125
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           125
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            125
_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  ASP   2  0.314  
 2  A  MET   3  0.295  
 3  A  GLU   4  0.247  
 4  A  VAL   5  0.165  
 5  A  SER   6  0.098  
 6  A  CYS   7  0.052  
 7  A  PRO   8  0.048  
 8  A  ASP   9  0.041  
 9  A  GLY  10  0.040  
10  A  TYR  11  0.029  
11  A  THR  12  0.021  
12  A  CYS  13  0.015  
13  A  CYS  14  0.018  
14  A  ARG  15  0.026  
15  A  LEU  16  0.038  
16  A  GLN  17  0.043  
17  A  SER  18  0.052  
18  A  GLY  19  0.055  
19  A  ALA  20  0.071  
20  A  TRP  21  0.084  
21  A  GLY  22  0.099  
22  A  CYS  23  0.104  
23  A  CYS  24  0.103  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00  0  
2  CA  0.50  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0    2    2  stereomethyl  stereomethyl  
 2  125  134  259  overall       Total         
 3   48   68  116  backbone      Total         
 4   67   55  122  sidechain     Total         
 5   10   11   21  aromatic      Total         
 6  125   12  137  overall       H             
 7   48    0   48  backbone      H             
 8   67   12   79  sidechain     H             
 9   10    0   10  aromatic      H             
10    0   95   95  overall       C             
11    0   46   46  backbone      C             
12    0   39   39  sidechain     C             
13    0   10   10  aromatic      C             
14    0   27   27  overall       N             
15    0   22   22  backbone      N             
16    0    4    4  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    2    2  stereomethyl  stereomethyl  
 2  125  142  267  overall       Total         
 3   48   73  121  backbone      Total         
 4   67   58  125  sidechain     Total         
 5   10   11   21  aromatic      Total         
 6  125   16  141  overall       H             
 7   48    2   50  backbone      H             
 8   67   14   81  sidechain     H             
 9   10    0   10  aromatic      H             
10    0   98   98  overall       C             
11    0   48   48  backbone      C             
12    0   40   40  sidechain     C             
13    0   10   10  aromatic      C             
14    0   28   28  overall       N             
15    0   23   23  backbone      N             
16    0    4    4  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     12  
 2  "Intra-residue (|i-j|=0)"                        0  
 3  "Sequential (|i-j|=1)"                           0  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             0  
 5  "Long range (|i-j|>=5)"                          0  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                12  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             0.5  
12  "Number of long range restraints per residue"  0.2  
#
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                  0    0.0  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  0    0.0  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  0    0.0  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  0    0.0  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                  0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                 12  100.0  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                  0    0.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 12  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone     0    0.0  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
