data_7DEH

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7DEH   
BMRB  36394  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7DEH
_pdbx_vrpt_summary.PDB_deposition_date         2020-11-04
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:04:19
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  Cecropin-P1
#
_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  14.55  158937  ?     ?     
2  2  1  38.18   12864  ?     ?     
3  1  2  10.32  154571  ?     ?     
4  2  2  50.36   11451  ?     ?     
5  1  3   2.76  154315  ?     ?     
6  2  3  28.87   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    4.30  
 4  6  3  A   1  1  A    4.30  
 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    0.89  
 8  6  3  A   2  1  A    0.89  
 9  3  2  A   3  1  A    3.49  
10  4  2  A   3  1  A    3.49  
11  5  3  A   3  1  A    0.40  
12  6  3  A   3  1  A    0.40  
13  3  2  A   4  1  A    3.49  
14  4  2  A   4  1  A    3.49  
15  5  3  A   4  1  A    1.91  
16  6  3  A   4  1  A    1.91  
17  3  2  A   5  1  A    3.49  
18  4  2  A   5  1  A    3.49  
19  5  3  A   5  1  A    0.89  
20  6  3  A   5  1  A    0.89  
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    0.89  
24  6  3  A   6  1  A    0.89  
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    1.91  
28  6  3  A   7  1  A    1.91  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    0.89  
32  6  3  A   8  1  A    0.89  
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    0.89  
36  6  3  A   9  1  A    0.89  
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    0.40  
40  6  3  A  10  1  A    0.40  
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    0.89  
44  6  3  A  11  1  A    0.89  
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    1.91  
48  6  3  A  12  1  A    1.91  
49  3  2  A  13  1  A    3.49  
50  4  2  A  13  1  A    3.49  
51  5  3  A  13  1  A    1.91  
52  6  3  A  13  1  A    1.91  
53  3  2  A  14  1  A    3.49  
54  4  2  A  14  1  A    3.49  
55  5  3  A  14  1  A    0.20  
56  6  3  A  14  1  A    0.20  
57  3  2  A  15  1  A    3.49  
58  4  2  A  15  1  A    3.49  
59  5  3  A  15  1  A    1.91  
60  6  3  A  15  1  A    1.91  
61  3  2  A  16  1  A    0.95  
62  4  2  A  16  1  A    0.95  
63  5  3  A  16  1  A   10.89  
64  6  3  A  16  1  A   10.89  
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    4.30  
68  6  3  A  17  1  A    4.30  
69  3  2  A  18  1  A    3.49  
70  4  2  A  18  1  A    3.49  
71  5  3  A  18  1  A    4.30  
72  6  3  A  18  1  A    4.30  
73  3  2  A  19  1  A    3.49  
74  4  2  A  19  1  A    3.49  
75  5  3  A  19  1  A    0.40  
76  6  3  A  19  1  A    0.40  
77  3  2  A  20  1  A    3.49  
78  4  2  A  20  1  A    3.49  
79  5  3  A  20  1  A    0.20  
80  6  3  A  20  1  A    0.20  
#
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  0.89  0.64  236  313  
 2   2  1  A  A  0.89  0.64  236  313  
 3   3  1  A  A  0.90  0.64  236  313  
 4   4  1  A  A  0.89  0.65  236  313  
 5   5  1  A  A  0.89  0.64  236  313  
 6   6  1  A  A  0.89  0.65  236  313  
 7   7  1  A  A  0.90  0.64  236  313  
 8   8  1  A  A  0.90  0.64  236  313  
 9   9  1  A  A  0.90  0.64  236  313  
10  10  1  A  A  0.89  0.64  236  313  
11  11  1  A  A  0.90  0.65  236  313  
12  12  1  A  A  0.90  0.64  236  313  
13  13  1  A  A  0.89  0.64  236  313  
14  14  1  A  A  0.90  0.64  236  313  
15  15  1  A  A  0.89  0.64  236  313  
16  16  1  A  A  0.89  0.64  236  313  
17  17  1  A  A  0.89  0.64  236  313  
18  18  1  A  A  0.89  0.64  236  313  
19  19  1  A  A  0.89  0.64  236  313  
20  20  1  A  A  0.89  0.64  236  313  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              2.12
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.90
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   22.63
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       19.38
_pdbx_vrpt_summary_geometry.clashscore                                 16.96
_pdbx_vrpt_summary_geometry.clashscore_full_length                     17.89
_pdbx_vrpt_summary_geometry.num_H_reduce                               5160
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             4720
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.64
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            6260
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.89
#
_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            7
_pdbx_vrpt_summary_nmr.medoid_model                             8
_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              88.05
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  84.91
#
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  SER  A   1  .  ?        1  
  2   1  1  A   2  TRP  A   2  .  ?        ?  
  3   1  1  A   3  LEU  A   3  .  ?        2  
  4   1  1  A   4  SER  A   4  .  ?        ?  
  5   1  1  A   5  LYS  A   5  .  ?        2  
  6   1  1  A   6  THR  A   6  .  ?        1  
  7   1  1  A   7  ALA  A   7  .  ?        ?  
  8   1  1  A   8  LYS  A   8  .  ?        1  
  9   1  1  A   9  LYS  A   9  .  ?        ?  
 10   1  1  A  10  LEU  A  10  .  ?        ?  
 11   1  1  A  11  GLU  A  11  .  ?        ?  
 12   1  1  A  12  ASN  A  12  .  ?        1  
 13   1  1  A  13  SER  A  13  .  ?        ?  
 14   1  1  A  14  ALA  A  14  .  ?        ?  
 15   1  1  A  15  LYS  A  15  .  ?        ?  
 16   1  1  A  16  LYS  A  16  .  ?        ?  
 17   1  1  A  17  ARG  A  17  .  ?        2  
 18   1  1  A  18  ILE  A  18  .  ?        ?  
 19   1  1  A  19  SER  A  19  .  ?        ?  
 20   1  1  A  20  GLU  A  20  .  ?        ?  
 21   1  1  A  21  GLY  A  21  .  ?        ?  
 22   1  1  A  22  ILE  A  22  .  ?        2  
 23   1  1  A  23  ALA  A  23  .  ?        ?  
 24   1  1  A  24  ILE  A  24  .  ?        2  
 25   1  1  A  25  ALA  A  25  .  ?        ?  
 26   1  1  A  26  ILE  A  26  .  ?        ?  
 27   1  1  A  27  GLN  A  27  .  ?        ?  
 28   1  1  A  28  GLY  A  28  .  ?        ?  
 29   1  1  A  29  GLY  A  29  .  ?        ?  
 30   1  1  A  30  PRO  A  30  .  ?        ?  
 31   1  1  A  31  ARG  A  31  .  ?        ?  
 32   2  1  A   1  SER  A   1  .  ?        1  
 33   2  1  A   2  TRP  A   2  .  ?        ?  
 34   2  1  A   3  LEU  A   3  .  ?        ?  
 35   2  1  A   4  SER  A   4  .  ?        ?  
 36   2  1  A   5  LYS  A   5  .  ?        1  
 37   2  1  A   6  THR  A   6  .  ?        ?  
 38   2  1  A   7  ALA  A   7  .  ?        ?  
 39   2  1  A   8  LYS  A   8  .  ?        ?  
 40   2  1  A   9  LYS  A   9  .  ?        ?  
 41   2  1  A  10  LEU  A  10  .  ?        ?  
 42   2  1  A  11  GLU  A  11  .  ?        ?  
 43   2  1  A  12  ASN  A  12  .  ?        ?  
 44   2  1  A  13  SER  A  13  .  ?        ?  
 45   2  1  A  14  ALA  A  14  .  ?        2  
 46   2  1  A  15  LYS  A  15  .  ?        ?  
 47   2  1  A  16  LYS  A  16  .  ?        ?  
 48   2  1  A  17  ARG  A  17  .  ?        ?  
 49   2  1  A  18  ILE  A  18  .  ?        2  
 50   2  1  A  19  SER  A  19  .  ?        ?  
 51   2  1  A  20  GLU  A  20  .  ?        1  
 52   2  1  A  21  GLY  A  21  .  ?        1  
 53   2  1  A  22  ILE  A  22  .  ?        3  
 54   2  1  A  23  ALA  A  23  .  ?        ?  
 55   2  1  A  24  ILE  A  24  .  ?        2  
 56   2  1  A  25  ALA  A  25  .  ?        1  
 57   2  1  A  26  ILE  A  26  .  ?        1  
 58   2  1  A  27  GLN  A  27  .  ?        ?  
 59   2  1  A  28  GLY  A  28  .  ?        1  
 60   2  1  A  29  GLY  A  29  .  ?        ?  
 61   2  1  A  30  PRO  A  30  .  ?        ?  
 62   2  1  A  31  ARG  A  31  .  ?        ?  
 63   3  1  A   1  SER  A   1  .  ?        1  
 64   3  1  A   2  TRP  A   2  .  ?        ?  
 65   3  1  A   3  LEU  A   3  .  ?        2  
 66   3  1  A   4  SER  A   4  .  ?        ?  
 67   3  1  A   5  LYS  A   5  .  ?        1  
 68   3  1  A   6  THR  A   6  .  ?        ?  
 69   3  1  A   7  ALA  A   7  .  ?        ?  
 70   3  1  A   8  LYS  A   8  .  ?        3  
 71   3  1  A   9  LYS  A   9  .  ?        ?  
 72   3  1  A  10  LEU  A  10  .  ?        ?  
 73   3  1  A  11  GLU  A  11  .  ?        1  
 74   3  1  A  12  ASN  A  12  .  ?        ?  
 75   3  1  A  13  SER  A  13  .  ?        ?  
 76   3  1  A  14  ALA  A  14  .  ?        2  
 77   3  1  A  15  LYS  A  15  .  ?        ?  
 78   3  1  A  16  LYS  A  16  .  ?        ?  
 79   3  1  A  17  ARG  A  17  .  ?        ?  
 80   3  1  A  18  ILE  A  18  .  ?        2  
 81   3  1  A  19  SER  A  19  .  ?        ?  
 82   3  1  A  20  GLU  A  20  .  ?        ?  
 83   3  1  A  21  GLY  A  21  .  ?        ?  
 84   3  1  A  22  ILE  A  22  .  ?        3  
 85   3  1  A  23  ALA  A  23  .  ?        ?  
 86   3  1  A  24  ILE  A  24  .  ?        3  
 87   3  1  A  25  ALA  A  25  .  ?        ?  
 88   3  1  A  26  ILE  A  26  .  ?        1  
 89   3  1  A  27  GLN  A  27  .  ?        ?  
 90   3  1  A  28  GLY  A  28  .  ?        1  
 91   3  1  A  29  GLY  A  29  .  ?        ?  
 92   3  1  A  30  PRO  A  30  .  ?        ?  
 93   3  1  A  31  ARG  A  31  .  ?        ?  
 94   4  1  A   1  SER  A   1  .  ?        1  
 95   4  1  A   2  TRP  A   2  .  ?        ?  
 96   4  1  A   3  LEU  A   3  .  ?        2  
 97   4  1  A   4  SER  A   4  .  ?        ?  
 98   4  1  A   5  LYS  A   5  .  ?        2  
 99   4  1  A   6  THR  A   6  .  ?        1  
100   4  1  A   7  ALA  A   7  .  ?        ?  
101   4  1  A   8  LYS  A   8  .  ?        ?  
102   4  1  A   9  LYS  A   9  .  ?        ?  
103   4  1  A  10  LEU  A  10  .  ?        ?  
104   4  1  A  11  GLU  A  11  .  ?        ?  
105   4  1  A  12  ASN  A  12  .  ?        ?  
106   4  1  A  13  SER  A  13  .  ?        ?  
107   4  1  A  14  ALA  A  14  .  ?        ?  
108   4  1  A  15  LYS  A  15  .  ?        ?  
109   4  1  A  16  LYS  A  16  .  ?        ?  
110   4  1  A  17  ARG  A  17  .  ?        ?  
111   4  1  A  18  ILE  A  18  .  ?        ?  
112   4  1  A  19  SER  A  19  .  ?        ?  
113   4  1  A  20  GLU  A  20  .  ?        ?  
114   4  1  A  21  GLY  A  21  .  ?        ?  
115   4  1  A  22  ILE  A  22  .  ?        2  
116   4  1  A  23  ALA  A  23  .  ?        ?  
117   4  1  A  24  ILE  A  24  .  ?        3  
118   4  1  A  25  ALA  A  25  .  ?        ?  
119   4  1  A  26  ILE  A  26  .  ?        ?  
120   4  1  A  27  GLN  A  27  .  ?        ?  
121   4  1  A  28  GLY  A  28  .  ?        1  
122   4  1  A  29  GLY  A  29  .  ?        ?  
123   4  1  A  30  PRO  A  30  .  ?        ?  
124   4  1  A  31  ARG  A  31  .  ?        ?  
125   5  1  A   1  SER  A   1  .  ?        ?  
126   5  1  A   2  TRP  A   2  .  ?        1  
127   5  1  A   3  LEU  A   3  .  ?        ?  
128   5  1  A   4  SER  A   4  .  ?        ?  
129   5  1  A   5  LYS  A   5  .  ?        ?  
130   5  1  A   6  THR  A   6  .  ?        1  
131   5  1  A   7  ALA  A   7  .  ?        ?  
132   5  1  A   8  LYS  A   8  .  ?        1  
133   5  1  A   9  LYS  A   9  .  ?        ?  
134   5  1  A  10  LEU  A  10  .  ?        ?  
135   5  1  A  11  GLU  A  11  .  ?        1  
136   5  1  A  12  ASN  A  12  .  ?        1  
137   5  1  A  13  SER  A  13  .  ?        ?  
138   5  1  A  14  ALA  A  14  .  ?        4  
139   5  1  A  15  LYS  A  15  .  ?        2  
140   5  1  A  16  LYS  A  16  .  ?        ?  
141   5  1  A  17  ARG  A  17  .  ?        2  
142   5  1  A  18  ILE  A  18  .  ?        3  
143   5  1  A  19  SER  A  19  .  ?        ?  
144   5  1  A  20  GLU  A  20  .  ?        1  
145   5  1  A  21  GLY  A  21  .  ?        ?  
146   5  1  A  22  ILE  A  22  .  ?        3  
147   5  1  A  23  ALA  A  23  .  ?        ?  
148   5  1  A  24  ILE  A  24  .  ?        4  
149   5  1  A  25  ALA  A  25  .  ?        ?  
150   5  1  A  26  ILE  A  26  .  ?        1  
151   5  1  A  27  GLN  A  27  .  ?        ?  
152   5  1  A  28  GLY  A  28  .  ?        1  
153   5  1  A  29  GLY  A  29  .  ?        ?  
154   5  1  A  30  PRO  A  30  .  ?        ?  
155   5  1  A  31  ARG  A  31  .  ?        ?  
156   6  1  A   1  SER  A   1  .  ?        ?  
157   6  1  A   2  TRP  A   2  .  ?        ?  
158   6  1  A   3  LEU  A   3  .  ?        8  
159   6  1  A   4  SER  A   4  .  ?        ?  
160   6  1  A   5  LYS  A   5  .  ?        1  
161   6  1  A   6  THR  A   6  .  ?        1  
162   6  1  A   7  ALA  A   7  .  ?        ?  
163   6  1  A   8  LYS  A   8  .  ?        1  
164   6  1  A   9  LYS  A   9  .  ?        ?  
165   6  1  A  10  LEU  A  10  .  ?        2  
166   6  1  A  11  GLU  A  11  .  ?        ?  
167   6  1  A  12  ASN  A  12  .  ?        1  
168   6  1  A  13  SER  A  13  .  ?        ?  
169   6  1  A  14  ALA  A  14  .  ?        ?  
170   6  1  A  15  LYS  A  15  .  ?        ?  
171   6  1  A  16  LYS  A  16  .  ?        ?  
172   6  1  A  17  ARG  A  17  .  ?        1  
173   6  1  A  18  ILE  A  18  .  ?        ?  
174   6  1  A  19  SER  A  19  .  ?        ?  
175   6  1  A  20  GLU  A  20  .  ?        1  
176   6  1  A  21  GLY  A  21  .  ?        1  
177   6  1  A  22  ILE  A  22  .  ?        5  
178   6  1  A  23  ALA  A  23  .  ?        1  
179   6  1  A  24  ILE  A  24  .  ?        3  
180   6  1  A  25  ALA  A  25  .  ?        ?  
181   6  1  A  26  ILE  A  26  .  ?        ?  
182   6  1  A  27  GLN  A  27  .  ?        ?  
183   6  1  A  28  GLY  A  28  .  ?        ?  
184   6  1  A  29  GLY  A  29  .  ?        ?  
185   6  1  A  30  PRO  A  30  .  ?        ?  
186   6  1  A  31  ARG  A  31  .  ?        ?  
187   7  1  A   1  SER  A   1  .  ?        ?  
188   7  1  A   2  TRP  A   2  .  ?        ?  
189   7  1  A   3  LEU  A   3  .  ?        ?  
190   7  1  A   4  SER  A   4  .  ?        ?  
191   7  1  A   5  LYS  A   5  .  ?        ?  
192   7  1  A   6  THR  A   6  .  ?        ?  
193   7  1  A   7  ALA  A   7  .  ?        ?  
194   7  1  A   8  LYS  A   8  .  ?        ?  
195   7  1  A   9  LYS  A   9  .  ?        ?  
196   7  1  A  10  LEU  A  10  .  ?        ?  
197   7  1  A  11  GLU  A  11  .  ?        ?  
198   7  1  A  12  ASN  A  12  .  ?        ?  
199   7  1  A  13  SER  A  13  .  ?        ?  
200   7  1  A  14  ALA  A  14  .  ?        1  
201   7  1  A  15  LYS  A  15  .  ?        ?  
202   7  1  A  16  LYS  A  16  .  ?        ?  
203   7  1  A  17  ARG  A  17  .  ?        ?  
204   7  1  A  18  ILE  A  18  .  ?        1  
205   7  1  A  19  SER  A  19  .  ?        ?  
206   7  1  A  20  GLU  A  20  .  ?        ?  
207   7  1  A  21  GLY  A  21  .  ?        ?  
208   7  1  A  22  ILE  A  22  .  ?        3  
209   7  1  A  23  ALA  A  23  .  ?        1  
210   7  1  A  24  ILE  A  24  .  ?        ?  
211   7  1  A  25  ALA  A  25  .  ?        ?  
212   7  1  A  26  ILE  A  26  .  ?        ?  
213   7  1  A  27  GLN  A  27  .  ?        ?  
214   7  1  A  28  GLY  A  28  .  ?        ?  
215   7  1  A  29  GLY  A  29  .  ?        ?  
216   7  1  A  30  PRO  A  30  .  ?        ?  
217   7  1  A  31  ARG  A  31  .  ?        ?  
218   8  1  A   1  SER  A   1  .  ?        1  
219   8  1  A   2  TRP  A   2  .  ?        1  
220   8  1  A   3  LEU  A   3  .  ?        4  
221   8  1  A   4  SER  A   4  .  ?        ?  
222   8  1  A   5  LYS  A   5  .  ?        2  
223   8  1  A   6  THR  A   6  .  ?        ?  
224   8  1  A   7  ALA  A   7  .  ?        ?  
225   8  1  A   8  LYS  A   8  .  ?        3  
226   8  1  A   9  LYS  A   9  .  ?        ?  
227   8  1  A  10  LEU  A  10  .  ?        ?  
228   8  1  A  11  GLU  A  11  .  ?        ?  
229   8  1  A  12  ASN  A  12  .  ?        1  
230   8  1  A  13  SER  A  13  .  ?        ?  
231   8  1  A  14  ALA  A  14  .  ?        ?  
232   8  1  A  15  LYS  A  15  .  ?        ?  
233   8  1  A  16  LYS  A  16  .  ?        ?  
234   8  1  A  17  ARG  A  17  .  ?        ?  
235   8  1  A  18  ILE  A  18  .  ?        ?  
236   8  1  A  19  SER  A  19  .  ?        ?  
237   8  1  A  20  GLU  A  20  .  ?        ?  
238   8  1  A  21  GLY  A  21  .  ?        ?  
239   8  1  A  22  ILE  A  22  .  ?        3  
240   8  1  A  23  ALA  A  23  .  ?        1  
241   8  1  A  24  ILE  A  24  .  ?        1  
242   8  1  A  25  ALA  A  25  .  ?        ?  
243   8  1  A  26  ILE  A  26  .  ?        ?  
244   8  1  A  27  GLN  A  27  .  ?        ?  
245   8  1  A  28  GLY  A  28  .  ?        1  
246   8  1  A  29  GLY  A  29  .  ?        ?  
247   8  1  A  30  PRO  A  30  .  ?        ?  
248   8  1  A  31  ARG  A  31  .  ?        ?  
249   9  1  A   1  SER  A   1  .  ?        1  
250   9  1  A   2  TRP  A   2  .  ?        1  
251   9  1  A   3  LEU  A   3  .  ?        4  
252   9  1  A   4  SER  A   4  .  ?        ?  
253   9  1  A   5  LYS  A   5  .  ?        3  
254   9  1  A   6  THR  A   6  .  ?        1  
255   9  1  A   7  ALA  A   7  .  ?        ?  
256   9  1  A   8  LYS  A   8  .  ?        1  
257   9  1  A   9  LYS  A   9  .  ?        ?  
258   9  1  A  10  LEU  A  10  .  ?        ?  
259   9  1  A  11  GLU  A  11  .  ?        ?  
260   9  1  A  12  ASN  A  12  .  ?        1  
261   9  1  A  13  SER  A  13  .  ?        ?  
262   9  1  A  14  ALA  A  14  .  ?        2  
263   9  1  A  15  LYS  A  15  .  ?        ?  
264   9  1  A  16  LYS  A  16  .  ?        ?  
265   9  1  A  17  ARG  A  17  .  ?        ?  
266   9  1  A  18  ILE  A  18  .  ?        2  
267   9  1  A  19  SER  A  19  .  ?        ?  
268   9  1  A  20  GLU  A  20  .  ?        ?  
269   9  1  A  21  GLY  A  21  .  ?        ?  
270   9  1  A  22  ILE  A  22  .  ?        2  
271   9  1  A  23  ALA  A  23  .  ?        ?  
272   9  1  A  24  ILE  A  24  .  ?        1  
273   9  1  A  25  ALA  A  25  .  ?        ?  
274   9  1  A  26  ILE  A  26  .  ?        ?  
275   9  1  A  27  GLN  A  27  .  ?        ?  
276   9  1  A  28  GLY  A  28  .  ?        1  
277   9  1  A  29  GLY  A  29  .  ?        ?  
278   9  1  A  30  PRO  A  30  .  ?        2  
279   9  1  A  31  ARG  A  31  .  ?        2  
280  10  1  A   1  SER  A   1  .  ?        1  
281  10  1  A   2  TRP  A   2  .  ?        ?  
282  10  1  A   3  LEU  A   3  .  ?        2  
283  10  1  A   4  SER  A   4  .  ?        ?  
284  10  1  A   5  LYS  A   5  .  ?        1  
285  10  1  A   6  THR  A   6  .  ?        ?  
286  10  1  A   7  ALA  A   7  .  ?        ?  
287  10  1  A   8  LYS  A   8  .  ?        ?  
288  10  1  A   9  LYS  A   9  .  ?        ?  
289  10  1  A  10  LEU  A  10  .  ?        ?  
290  10  1  A  11  GLU  A  11  .  ?        ?  
291  10  1  A  12  ASN  A  12  .  ?        ?  
292  10  1  A  13  SER  A  13  .  ?        ?  
293  10  1  A  14  ALA  A  14  .  ?        2  
294  10  1  A  15  LYS  A  15  .  ?        ?  
295  10  1  A  16  LYS  A  16  .  ?        ?  
296  10  1  A  17  ARG  A  17  .  ?        ?  
297  10  1  A  18  ILE  A  18  .  ?        2  
298  10  1  A  19  SER  A  19  .  ?        ?  
299  10  1  A  20  GLU  A  20  .  ?        ?  
300  10  1  A  21  GLY  A  21  .  ?        ?  
301  10  1  A  22  ILE  A  22  .  ?        2  
302  10  1  A  23  ALA  A  23  .  ?        ?  
303  10  1  A  24  ILE  A  24  .  ?        ?  
304  10  1  A  25  ALA  A  25  .  ?        ?  
305  10  1  A  26  ILE  A  26  .  ?        ?  
306  10  1  A  27  GLN  A  27  .  ?        ?  
307  10  1  A  28  GLY  A  28  .  ?        ?  
308  10  1  A  29  GLY  A  29  .  ?        ?  
309  10  1  A  30  PRO  A  30  .  ?        ?  
310  10  1  A  31  ARG  A  31  .  ?        ?  
311  11  1  A   1  SER  A   1  .  ?        ?  
312  11  1  A   2  TRP  A   2  .  ?        ?  
313  11  1  A   3  LEU  A   3  .  ?        ?  
314  11  1  A   4  SER  A   4  .  ?        ?  
315  11  1  A   5  LYS  A   5  .  ?        ?  
316  11  1  A   6  THR  A   6  .  ?        ?  
317  11  1  A   7  ALA  A   7  .  ?        ?  
318  11  1  A   8  LYS  A   8  .  ?        1  
319  11  1  A   9  LYS  A   9  .  ?        ?  
320  11  1  A  10  LEU  A  10  .  ?        ?  
321  11  1  A  11  GLU  A  11  .  ?        1  
322  11  1  A  12  ASN  A  12  .  ?        1  
323  11  1  A  13  SER  A  13  .  ?        ?  
324  11  1  A  14  ALA  A  14  .  ?        2  
325  11  1  A  15  LYS  A  15  .  ?        ?  
326  11  1  A  16  LYS  A  16  .  ?        ?  
327  11  1  A  17  ARG  A  17  .  ?        ?  
328  11  1  A  18  ILE  A  18  .  ?        1  
329  11  1  A  19  SER  A  19  .  ?        ?  
330  11  1  A  20  GLU  A  20  .  ?        ?  
331  11  1  A  21  GLY  A  21  .  ?        ?  
332  11  1  A  22  ILE  A  22  .  ?        2  
333  11  1  A  23  ALA  A  23  .  ?        ?  
334  11  1  A  24  ILE  A  24  .  ?        2  
335  11  1  A  25  ALA  A  25  .  ?        ?  
336  11  1  A  26  ILE  A  26  .  ?        ?  
337  11  1  A  27  GLN  A  27  .  ?        ?  
338  11  1  A  28  GLY  A  28  .  ?        ?  
339  11  1  A  29  GLY  A  29  .  ?        ?  
340  11  1  A  30  PRO  A  30  .  ?        ?  
341  11  1  A  31  ARG  A  31  .  ?        ?  
342  12  1  A   1  SER  A   1  .  ?        ?  
343  12  1  A   2  TRP  A   2  .  ?        ?  
344  12  1  A   3  LEU  A   3  .  ?        8  
345  12  1  A   4  SER  A   4  .  ?        ?  
346  12  1  A   5  LYS  A   5  .  ?        1  
347  12  1  A   6  THR  A   6  .  ?        1  
348  12  1  A   7  ALA  A   7  .  ?        ?  
349  12  1  A   8  LYS  A   8  .  ?        1  
350  12  1  A   9  LYS  A   9  .  ?        ?  
351  12  1  A  10  LEU  A  10  .  ?        ?  
352  12  1  A  11  GLU  A  11  .  ?        ?  
353  12  1  A  12  ASN  A  12  .  ?        2  
354  12  1  A  13  SER  A  13  .  ?        ?  
355  12  1  A  14  ALA  A  14  .  ?        ?  
356  12  1  A  15  LYS  A  15  .  ?        2  
357  12  1  A  16  LYS  A  16  .  ?        1  
358  12  1  A  17  ARG  A  17  .  ?        ?  
359  12  1  A  18  ILE  A  18  .  ?        1  
360  12  1  A  19  SER  A  19  .  ?        ?  
361  12  1  A  20  GLU  A  20  .  ?        1  
362  12  1  A  21  GLY  A  21  .  ?        ?  
363  12  1  A  22  ILE  A  22  .  ?        2  
364  12  1  A  23  ALA  A  23  .  ?        ?  
365  12  1  A  24  ILE  A  24  .  ?        2  
366  12  1  A  25  ALA  A  25  .  ?        ?  
367  12  1  A  26  ILE  A  26  .  ?        ?  
368  12  1  A  27  GLN  A  27  .  ?        ?  
369  12  1  A  28  GLY  A  28  .  ?        ?  
370  12  1  A  29  GLY  A  29  .  ?        ?  
371  12  1  A  30  PRO  A  30  .  ?        ?  
372  12  1  A  31  ARG  A  31  .  ?        ?  
373  13  1  A   1  SER  A   1  .  ?        1  
374  13  1  A   2  TRP  A   2  .  ?        ?  
375  13  1  A   3  LEU  A   3  .  ?        ?  
376  13  1  A   4  SER  A   4  .  ?        ?  
377  13  1  A   5  LYS  A   5  .  ?        1  
378  13  1  A   6  THR  A   6  .  ?        ?  
379  13  1  A   7  ALA  A   7  .  ?        ?  
380  13  1  A   8  LYS  A   8  .  ?        ?  
381  13  1  A   9  LYS  A   9  .  ?        ?  
382  13  1  A  10  LEU  A  10  .  ?        ?  
383  13  1  A  11  GLU  A  11  .  ?        3  
384  13  1  A  12  ASN  A  12  .  ?        ?  
385  13  1  A  13  SER  A  13  .  ?        ?  
386  13  1  A  14  ALA  A  14  .  ?        2  
387  13  1  A  15  LYS  A  15  .  ?        1  
388  13  1  A  16  LYS  A  16  .  ?        ?  
389  13  1  A  17  ARG  A  17  .  ?        ?  
390  13  1  A  18  ILE  A  18  .  ?        ?  
391  13  1  A  19  SER  A  19  .  ?        ?  
392  13  1  A  20  GLU  A  20  .  ?        ?  
393  13  1  A  21  GLY  A  21  .  ?        ?  
394  13  1  A  22  ILE  A  22  .  ?        2  
395  13  1  A  23  ALA  A  23  .  ?        ?  
396  13  1  A  24  ILE  A  24  .  ?        2  
397  13  1  A  25  ALA  A  25  .  ?        ?  
398  13  1  A  26  ILE  A  26  .  ?        ?  
399  13  1  A  27  GLN  A  27  .  ?        ?  
400  13  1  A  28  GLY  A  28  .  ?        ?  
401  13  1  A  29  GLY  A  29  .  ?        ?  
402  13  1  A  30  PRO  A  30  .  ?        ?  
403  13  1  A  31  ARG  A  31  .  ?        ?  
404  14  1  A   1  SER  A   1  .  ?        ?  
405  14  1  A   2  TRP  A   2  .  ?        ?  
406  14  1  A   3  LEU  A   3  .  ?        2  
407  14  1  A   4  SER  A   4  .  ?        ?  
408  14  1  A   5  LYS  A   5  .  ?        ?  
409  14  1  A   6  THR  A   6  .  ?        ?  
410  14  1  A   7  ALA  A   7  .  ?        ?  
411  14  1  A   8  LYS  A   8  .  ?        ?  
412  14  1  A   9  LYS  A   9  .  ?        ?  
413  14  1  A  10  LEU  A  10  .  ?        ?  
414  14  1  A  11  GLU  A  11  .  ?        ?  
415  14  1  A  12  ASN  A  12  .  ?        ?  
416  14  1  A  13  SER  A  13  .  ?        ?  
417  14  1  A  14  ALA  A  14  .  ?        4  
418  14  1  A  15  LYS  A  15  .  ?        6  
419  14  1  A  16  LYS  A  16  .  ?        1  
420  14  1  A  17  ARG  A  17  .  ?        ?  
421  14  1  A  18  ILE  A  18  .  ?        2  
422  14  1  A  19  SER  A  19  .  ?        ?  
423  14  1  A  20  GLU  A  20  .  ?        8  
424  14  1  A  21  GLY  A  21  .  ?        ?  
425  14  1  A  22  ILE  A  22  .  ?        4  
426  14  1  A  23  ALA  A  23  .  ?        1  
427  14  1  A  24  ILE  A  24  .  ?        2  
428  14  1  A  25  ALA  A  25  .  ?        ?  
429  14  1  A  26  ILE  A  26  .  ?        ?  
430  14  1  A  27  GLN  A  27  .  ?        ?  
431  14  1  A  28  GLY  A  28  .  ?        ?  
432  14  1  A  29  GLY  A  29  .  ?        ?  
433  14  1  A  30  PRO  A  30  .  ?        ?  
434  14  1  A  31  ARG  A  31  .  ?        ?  
435  15  1  A   1  SER  A   1  .  ?        ?  
436  15  1  A   2  TRP  A   2  .  ?        ?  
437  15  1  A   3  LEU  A   3  .  ?        ?  
438  15  1  A   4  SER  A   4  .  ?        ?  
439  15  1  A   5  LYS  A   5  .  ?        ?  
440  15  1  A   6  THR  A   6  .  ?        ?  
441  15  1  A   7  ALA  A   7  .  ?        ?  
442  15  1  A   8  LYS  A   8  .  ?        1  
443  15  1  A   9  LYS  A   9  .  ?        ?  
444  15  1  A  10  LEU  A  10  .  ?        ?  
445  15  1  A  11  GLU  A  11  .  ?        ?  
446  15  1  A  12  ASN  A  12  .  ?        1  
447  15  1  A  13  SER  A  13  .  ?        ?  
448  15  1  A  14  ALA  A  14  .  ?        ?  
449  15  1  A  15  LYS  A  15  .  ?        1  
450  15  1  A  16  LYS  A  16  .  ?        ?  
451  15  1  A  17  ARG  A  17  .  ?        ?  
452  15  1  A  18  ILE  A  18  .  ?        1  
453  15  1  A  19  SER  A  19  .  ?        ?  
454  15  1  A  20  GLU  A  20  .  ?        ?  
455  15  1  A  21  GLY  A  21  .  ?        ?  
456  15  1  A  22  ILE  A  22  .  ?        ?  
457  15  1  A  23  ALA  A  23  .  ?        1  
458  15  1  A  24  ILE  A  24  .  ?        ?  
459  15  1  A  25  ALA  A  25  .  ?        ?  
460  15  1  A  26  ILE  A  26  .  ?        3  
461  15  1  A  27  GLN  A  27  .  ?        1  
462  15  1  A  28  GLY  A  28  .  ?        1  
463  15  1  A  29  GLY  A  29  .  ?        ?  
464  15  1  A  30  PRO  A  30  .  ?        ?  
465  15  1  A  31  ARG  A  31  .  ?        ?  
466  16  1  A   1  SER  A   1  .  ?        ?  
467  16  1  A   2  TRP  A   2  .  ?        ?  
468  16  1  A   3  LEU  A   3  .  ?        ?  
469  16  1  A   4  SER  A   4  .  ?        1  
470  16  1  A   5  LYS  A   5  .  ?        ?  
471  16  1  A   6  THR  A   6  .  ?        ?  
472  16  1  A   7  ALA  A   7  .  ?        1  
473  16  1  A   8  LYS  A   8  .  ?        1  
474  16  1  A   9  LYS  A   9  .  ?        ?  
475  16  1  A  10  LEU  A  10  .  ?        ?  
476  16  1  A  11  GLU  A  11  .  ?        ?  
477  16  1  A  12  ASN  A  12  .  ?        1  
478  16  1  A  13  SER  A  13  .  ?        ?  
479  16  1  A  14  ALA  A  14  .  ?        2  
480  16  1  A  15  LYS  A  15  .  ?        ?  
481  16  1  A  16  LYS  A  16  .  ?        ?  
482  16  1  A  17  ARG  A  17  .  ?        2  
483  16  1  A  18  ILE  A  18  .  ?        2  
484  16  1  A  19  SER  A  19  .  ?        ?  
485  16  1  A  20  GLU  A  20  .  ?        1  
486  16  1  A  21  GLY  A  21  .  ?        ?  
487  16  1  A  22  ILE  A  22  .  ?        ?  
488  16  1  A  23  ALA  A  23  .  ?        1  
489  16  1  A  24  ILE  A  24  .  ?        1  
490  16  1  A  25  ALA  A  25  .  ?        ?  
491  16  1  A  26  ILE  A  26  .  ?        1  
492  16  1  A  27  GLN  A  27  .  ?        ?  
493  16  1  A  28  GLY  A  28  .  ?        ?  
494  16  1  A  29  GLY  A  29  .  ?        ?  
495  16  1  A  30  PRO  A  30  .  ?        ?  
496  16  1  A  31  ARG  A  31  .  ?        ?  
497  17  1  A   1  SER  A   1  .  ?        1  
498  17  1  A   2  TRP  A   2  .  ?        1  
499  17  1  A   3  LEU  A   3  .  ?        4  
500  17  1  A   4  SER  A   4  .  ?        ?  
501  17  1  A   5  LYS  A   5  .  ?        2  
502  17  1  A   6  THR  A   6  .  ?        ?  
503  17  1  A   7  ALA  A   7  .  ?        ?  
504  17  1  A   8  LYS  A   8  .  ?        1  
505  17  1  A   9  LYS  A   9  .  ?        ?  
506  17  1  A  10  LEU  A  10  .  ?        ?  
507  17  1  A  11  GLU  A  11  .  ?        ?  
508  17  1  A  12  ASN  A  12  .  ?        1  
509  17  1  A  13  SER  A  13  .  ?        ?  
510  17  1  A  14  ALA  A  14  .  ?        1  
511  17  1  A  15  LYS  A  15  .  ?        ?  
512  17  1  A  16  LYS  A  16  .  ?        ?  
513  17  1  A  17  ARG  A  17  .  ?        ?  
514  17  1  A  18  ILE  A  18  .  ?        1  
515  17  1  A  19  SER  A  19  .  ?        ?  
516  17  1  A  20  GLU  A  20  .  ?        ?  
517  17  1  A  21  GLY  A  21  .  ?        ?  
518  17  1  A  22  ILE  A  22  .  ?        2  
519  17  1  A  23  ALA  A  23  .  ?        ?  
520  17  1  A  24  ILE  A  24  .  ?        ?  
521  17  1  A  25  ALA  A  25  .  ?        ?  
522  17  1  A  26  ILE  A  26  .  ?        ?  
523  17  1  A  27  GLN  A  27  .  ?        ?  
524  17  1  A  28  GLY  A  28  .  ?        ?  
525  17  1  A  29  GLY  A  29  .  ?        ?  
526  17  1  A  30  PRO  A  30  .  ?        ?  
527  17  1  A  31  ARG  A  31  .  ?        ?  
528  18  1  A   1  SER  A   1  .  ?        ?  
529  18  1  A   2  TRP  A   2  .  ?        ?  
530  18  1  A   3  LEU  A   3  .  ?        7  
531  18  1  A   4  SER  A   4  .  ?        1  
532  18  1  A   5  LYS  A   5  .  ?        ?  
533  18  1  A   6  THR  A   6  .  ?        ?  
534  18  1  A   7  ALA  A   7  .  ?        ?  
535  18  1  A   8  LYS  A   8  .  ?        1  
536  18  1  A   9  LYS  A   9  .  ?        ?  
537  18  1  A  10  LEU  A  10  .  ?        ?  
538  18  1  A  11  GLU  A  11  .  ?        ?  
539  18  1  A  12  ASN  A  12  .  ?        1  
540  18  1  A  13  SER  A  13  .  ?        ?  
541  18  1  A  14  ALA  A  14  .  ?        2  
542  18  1  A  15  LYS  A  15  .  ?        ?  
543  18  1  A  16  LYS  A  16  .  ?        ?  
544  18  1  A  17  ARG  A  17  .  ?        ?  
545  18  1  A  18  ILE  A  18  .  ?        2  
546  18  1  A  19  SER  A  19  .  ?        ?  
547  18  1  A  20  GLU  A  20  .  ?        ?  
548  18  1  A  21  GLY  A  21  .  ?        ?  
549  18  1  A  22  ILE  A  22  .  ?        4  
550  18  1  A  23  ALA  A  23  .  ?        2  
551  18  1  A  24  ILE  A  24  .  ?        ?  
552  18  1  A  25  ALA  A  25  .  ?        ?  
553  18  1  A  26  ILE  A  26  .  ?        4  
554  18  1  A  27  GLN  A  27  .  ?        1  
555  18  1  A  28  GLY  A  28  .  ?        1  
556  18  1  A  29  GLY  A  29  .  ?        ?  
557  18  1  A  30  PRO  A  30  .  ?        ?  
558  18  1  A  31  ARG  A  31  .  ?        ?  
559  19  1  A   1  SER  A   1  .  ?        1  
560  19  1  A   2  TRP  A   2  .  ?        ?  
561  19  1  A   3  LEU  A   3  .  ?        ?  
562  19  1  A   4  SER  A   4  .  ?        ?  
563  19  1  A   5  LYS  A   5  .  ?        1  
564  19  1  A   6  THR  A   6  .  ?        ?  
565  19  1  A   7  ALA  A   7  .  ?        ?  
566  19  1  A   8  LYS  A   8  .  ?        ?  
567  19  1  A   9  LYS  A   9  .  ?        ?  
568  19  1  A  10  LEU  A  10  .  ?        ?  
569  19  1  A  11  GLU  A  11  .  ?        ?  
570  19  1  A  12  ASN  A  12  .  ?        ?  
571  19  1  A  13  SER  A  13  .  ?        ?  
572  19  1  A  14  ALA  A  14  .  ?        2  
573  19  1  A  15  LYS  A  15  .  ?        ?  
574  19  1  A  16  LYS  A  16  .  ?        ?  
575  19  1  A  17  ARG  A  17  .  ?        ?  
576  19  1  A  18  ILE  A  18  .  ?        2  
577  19  1  A  19  SER  A  19  .  ?        ?  
578  19  1  A  20  GLU  A  20  .  ?        ?  
579  19  1  A  21  GLY  A  21  .  ?        ?  
580  19  1  A  22  ILE  A  22  .  ?        4  
581  19  1  A  23  ALA  A  23  .  ?        1  
582  19  1  A  24  ILE  A  24  .  ?        ?  
583  19  1  A  25  ALA  A  25  .  ?        ?  
584  19  1  A  26  ILE  A  26  .  ?        4  
585  19  1  A  27  GLN  A  27  .  ?        1  
586  19  1  A  28  GLY  A  28  .  ?        2  
587  19  1  A  29  GLY  A  29  .  ?        ?  
588  19  1  A  30  PRO  A  30  .  ?        ?  
589  19  1  A  31  ARG  A  31  .  ?        ?  
590  20  1  A   1  SER  A   1  .  ?        ?  
591  20  1  A   2  TRP  A   2  .  ?        1  
592  20  1  A   3  LEU  A   3  .  ?        2  
593  20  1  A   4  SER  A   4  .  ?        1  
594  20  1  A   5  LYS  A   5  .  ?        1  
595  20  1  A   6  THR  A   6  .  ?        ?  
596  20  1  A   7  ALA  A   7  .  ?        1  
597  20  1  A   8  LYS  A   8  .  ?        1  
598  20  1  A   9  LYS  A   9  .  ?        ?  
599  20  1  A  10  LEU  A  10  .  ?        ?  
600  20  1  A  11  GLU  A  11  .  ?        ?  
601  20  1  A  12  ASN  A  12  .  ?        2  
602  20  1  A  13  SER  A  13  .  ?        ?  
603  20  1  A  14  ALA  A  14  .  ?        3  
604  20  1  A  15  LYS  A  15  .  ?        1  
605  20  1  A  16  LYS  A  16  .  ?        ?  
606  20  1  A  17  ARG  A  17  .  ?        3  
607  20  1  A  18  ILE  A  18  .  ?        2  
608  20  1  A  19  SER  A  19  .  ?        ?  
609  20  1  A  20  GLU  A  20  .  ?        ?  
610  20  1  A  21  GLY  A  21  .  ?        ?  
611  20  1  A  22  ILE  A  22  .  ?        5  
612  20  1  A  23  ALA  A  23  .  ?        1  
613  20  1  A  24  ILE  A  24  .  ?        ?  
614  20  1  A  25  ALA  A  25  .  ?        ?  
615  20  1  A  26  ILE  A  26  .  ?        ?  
616  20  1  A  27  GLN  A  27  .  ?        ?  
617  20  1  A  28  GLY  A  28  .  ?        ?  
618  20  1  A  29  GLY  A  29  .  ?        ?  
619  20  1  A  30  PRO  A  30  .  ?        ?  
620  20  1  A  31  ARG  A  31  .  ?        ?  
#
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             ?       ?  ?         7   6  0.34   8  0.60  molprobity     ?  False  
  2    2  m0        -59.1   -23.9  Favored  10  16  1.09  23  1.60  molprobity     ?  False  
  3    3  tp        -80.8   -38.4  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
  4    4  t         -84.5    -9.6  Favored   5   6  0.36   8  0.57  molprobity     1  True   
  5    5  OUTLIER   -74.9   -27.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
  6    6  p         -95.6   -19.0  Favored   7   7  0.26  10  1.28  molprobity     1  True   
  7    7  ?         -92.1   -20.4  Favored   5   5  0.36   7  0.87  molprobity     1  True   
  8    8  tppp?     -62.0   -29.9  Favored  13   9  0.41  11  0.80  molprobity     1  True   
  9    9  pttp      -74.9   -16.8  Favored  13   9  0.39  11  0.80  molprobity     1  True   
 10   10  mt        -83.8   -36.9  Favored  11   8  0.33  11  0.77  molprobity     1  True   
 11   11  pt-20     -81.2   -23.9  Favored   6   9  1.32  12  0.95  molprobity     1  True   
 12   12  OUTLIER   -62.9   -17.4  Favored   6   8  0.49  11  0.84  molprobity     1  True   
 13   13  t         -82.1   -16.1  Favored   5   6  0.34   8  0.59  molprobity     1  True   
 14   14  ?         -81.6   -21.3  Favored   5   5  0.34   7  0.88  molprobity     1  True   
 15   15  mtmp?     -60.0   -23.7  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 16   16  mmtm      -78.8   -22.6  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 17   17  OUTLIER   -81.2   -30.6  Favored  13  11  0.91  14  0.95  molprobity     1  True   
 18   18  mp        -78.1   -35.9  Favored  11   8  0.34  11  0.68  molprobity     1  True   
 19   19  m         -73.2   -31.4  Favored   5   6  0.36   8  0.60  molprobity     1  True   
 20   20  mt-10     -87.8   -33.9  Favored   6   9  1.30  12  0.89  molprobity     1  True   
 21   21  ?         -55.2   -27.3  Favored   3   4  0.57   5  0.77  molprobity     1  True   
 22   22  pp        -99.2   -30.4  Favored  11   8  0.35  11  0.67  molprobity     1  True   
 23   23  ?         -67.5   -67.2  Allowed   5   5  0.35   7  0.88  molprobity     1  True   
 24   24  mp        -45.3   -47.4  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 25   25  ?         -58.3   -45.5  Favored   5   5  0.35   7  0.86  molprobity     1  True   
 26   26  mm        -62.8   -21.1  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 27   27  mt-30     -94.0   -19.2  Favored   8   9  0.46  12  0.64  molprobity     1  True   
 28   28  ?          57.0    27.5  Favored   3   4  0.52   5  0.64  molprobity     1  True   
 29   29  ?         -39.4   -57.7  Favored   3   4  0.79   6  0.99  molprobity     1  True   
 30   30  Cg_endo   -75.0  -162.2  Allowed   7   8  0.59  11  0.78  molprobity     ?  False  
 31   31  tpt180        ?       ?  ?        13  10  0.94  11  0.97  molprobity     ?  False  
 32   32  m             ?       ?  ?         7   6  0.36   8  0.59  molprobity     ?  False  
 33   33  m0        -54.8   -23.8  Favored  10  16  1.11  23  1.60  molprobity     ?  False  
 34   34  tp        -84.8   -39.3  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
 35   35  m         -79.3    -9.1  Favored   5   6  0.36   8  0.59  molprobity     1  True   
 36   36  OUTLIER   -83.4   -32.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 37   37  p         -85.4   -18.5  Favored   7   7  0.27  10  1.27  molprobity     1  True   
 38   38  ?         -85.0   -15.4  Favored   5   5  0.34   7  0.87  molprobity     1  True   
 39   39  OUTLIER   -85.9   -15.5  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 40   40  OUTLIER   -87.7   -19.9  Favored  13   9  0.41  11  0.80  molprobity     1  True   
 41   41  mt        -81.3   -16.5  Favored  11   8  0.32  11  0.76  molprobity     1  True   
 42   42  pt-20     -99.1    -5.4  Favored   6   9  1.28  12  0.94  molprobity     1  True   
 43   43  OUTLIER   -62.6   -27.1  Favored   6   8  0.50  11  0.83  molprobity     1  True   
 44   44  m         -95.9   -15.8  Favored   5   6  0.36   8  0.59  molprobity     1  True   
 45   45  ?         -72.0   -23.8  Favored   5   5  0.33   7  0.88  molprobity     1  True   
 46   46  OUTLIER   -57.6   -19.2  Favored  13   9  0.40  11  0.80  molprobity     1  True   
 47   47  mmtt      -90.0   -25.5  Favored  13   9  0.40  11  0.80  molprobity     1  True   
 48   48  mmm180    -84.9   -25.2  Favored  13  11  0.92  14  0.96  molprobity     1  True   
 49   49  mp        -82.1   -21.6  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 50   50  m         -93.7   -29.8  Favored   5   6  0.37   8  0.60  molprobity     1  True   
 51   51  mm-40     -97.1   -18.2  Favored   6   9  1.27  12  0.90  molprobity     1  True   
 52   52  ?         -71.9   -28.8  Favored   3   4  0.57   5  0.79  molprobity     1  True   
 53   53  pp        -96.1   -19.7  Favored  11   8  0.35  11  0.67  molprobity     1  True   
 54   54  ?         -81.9   -59.5  Favored   5   5  0.35   7  0.86  molprobity     1  True   
 55   55  mp        -59.9   -47.5  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 56   56  ?         -55.3   -39.4  Favored   5   5  0.34   7  0.88  molprobity     1  True   
 57   57  mm        -71.5   -31.4  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 58   58  mt-30     -85.6    -8.2  Favored   8   9  0.46  12  0.64  molprobity     1  True   
 59   59  ?          45.5    29.5  Favored   3   4  0.50   5  0.63  molprobity     1  True   
 60   60  ?         -46.4   -73.6  Allowed   3   4  0.78   6  0.98  molprobity     1  True   
 61   61  Cg_endo   -75.1  -162.2  Allowed   7   8  0.58  11  0.77  molprobity     ?  False  
 62   62  mtt180        ?       ?  ?        13  10  0.96  11  0.98  molprobity     ?  False  
 63   63  p             ?       ?  ?         7   6  0.36   8  0.59  molprobity     ?  False  
 64   64  m0        -66.2   -22.3  Favored  10  16  1.10  23  1.59  molprobity     ?  False  
 65   65  tp        -98.2   -19.3  Favored  11   8  0.34  11  0.77  molprobity     ?  False  
 66   66  t         -96.8    -9.6  Favored   5   6  0.35   8  0.59  molprobity     1  True   
 67   67  OUTLIER   -76.2   -26.2  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 68   68  p         -87.4   -17.2  Favored   7   7  0.27  10  1.28  molprobity     1  True   
 69   69  ?         -82.2   -16.7  Favored   5   5  0.34   7  0.87  molprobity     1  True   
 70   70  OUTLIER   -69.4   -55.7  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 71   71  mtpp      -54.1   -20.6  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 72   72  mt        -80.2   -46.9  Favored  11   8  0.33  11  0.77  molprobity     1  True   
 73   73  pt-20     -76.9    -7.4  Favored   6   9  1.30  12  0.94  molprobity     1  True   
 74   74  OUTLIER   -65.5   -39.7  Favored   6   8  0.50  11  0.83  molprobity     1  True   
 75   75  t         -67.8   -10.2  Favored   5   6  0.35   8  0.59  molprobity     1  True   
 76   76  ?         -91.5   -15.9  Favored   5   5  0.34   7  0.88  molprobity     1  True   
 77   77  OUTLIER   -69.2   -15.9  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 78   78  mmtp      -91.2   -15.9  Favored  13   9  0.40  11  0.80  molprobity     1  True   
 79   79  mmt85     -88.4   -28.6  Favored  13  11  0.91  14  0.95  molprobity     1  True   
 80   80  mp        -78.3   -40.8  Favored  11   8  0.36  11  0.68  molprobity     1  True   
 81   81  OUTLIER   -74.2   -22.9  Favored   5   6  0.35   8  0.59  molprobity     1  True   
 82   82  mt-10     -84.8   -41.3  Favored   6   9  1.28  12  0.90  molprobity     1  True   
 83   83  ?         -49.2   -27.2  Favored   3   4  0.56   5  0.79  molprobity     1  True   
 84   84  OUTLIER   -98.1   -29.9  Favored  11   8  0.35  11  0.68  molprobity     1  True   
 85   85  ?         -70.3   -66.8  Allowed   5   5  0.34   7  0.87  molprobity     1  True   
 86   86  mp        -48.0   -46.7  Favored  11   8  0.35  11  0.67  molprobity     1  True   
 87   87  ?         -58.6   -46.6  Favored   5   5  0.34   7  0.88  molprobity     1  True   
 88   88  mm        -64.0   -16.5  Favored  11   8  0.35  11  0.68  molprobity     1  True   
 89   89  mt-30    -101.1   -18.9  Favored   8   9  0.46  12  0.64  molprobity     1  True   
 90   90  ?          87.5    -4.8  Favored   3   4  0.53   5  0.64  molprobity     1  True   
 91   91  ?          40.0    91.6  OUTLIER   3   4  0.79   6  0.99  molprobity     1  True   
 92   92  Cg_endo   -75.0  -162.2  Allowed   7   8  0.57  11  0.77  molprobity     ?  False  
 93   93  ptp180        ?       ?  ?        13  10  0.96  11  1.01  molprobity     ?  False  
 94   94  m             ?       ?  ?         7   6  0.36   8  0.59  molprobity     ?  False  
 95   95  t90       -64.6   -23.1  Favored  10  16  1.10  23  1.59  molprobity     ?  False  
 96   96  tp        -98.3   -17.9  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
 97   97  m         -99.8    -3.5  Favored   5   6  0.37   8  0.59  molprobity     1  True   
 98   98  OUTLIER   -82.8   -24.8  Favored  13   9  0.40  11  0.81  molprobity     1  True   
 99   99  p        -101.7   -16.3  Favored   7   7  0.27  10  1.29  molprobity     1  True   
100  100  ?         -84.9   -15.7  Favored   5   5  0.34   7  0.87  molprobity     1  True   
101  101  OUTLIER   -86.5   -15.4  Favored  13   9  0.40  11  0.80  molprobity     1  True   
102  102  mtpt      -87.5   -15.5  Favored  13   9  0.40  11  0.81  molprobity     1  True   
103  103  mt        -86.0   -17.4  Favored  11   8  0.32  11  0.77  molprobity     1  True   
104  104  pt-20     -97.8   -18.8  Favored   6   9  1.30  12  0.95  molprobity     1  True   
105  105  OUTLIER   -70.6   -15.8  Favored   6   8  0.51  11  0.83  molprobity     1  True   
106  106  t         -91.3    -8.9  Favored   5   6  0.35   8  0.59  molprobity     1  True   
107  107  ?         -81.2   -25.0  Favored   5   5  0.35   7  0.87  molprobity     1  True   
108  108  OUTLIER   -62.4   -17.8  Favored  13   9  0.39  11  0.80  molprobity     1  True   
109  109  mmmt      -90.6   -19.0  Favored  13   9  0.41  11  0.80  molprobity     1  True   
110  110  mpt_?     -85.1   -24.3  Favored  13  11  0.93  14  0.94  molprobity     1  True   
111  111  mp        -81.9   -20.4  Favored  11   8  0.36  11  0.68  molprobity     1  True   
112  112  m         -91.5   -28.3  Favored   5   6  0.35   8  0.60  molprobity     1  True   
113  113  mt-10     -92.4   -34.9  Favored   6   9  1.29  12  0.90  molprobity     1  True   
114  114  ?         -64.5   -20.6  Favored   3   4  0.58   5  0.79  molprobity     1  True   
115  115  pp        -97.6   -31.3  Favored  11   8  0.36  11  0.68  molprobity     1  True   
116  116  ?         -75.8   -64.7  Allowed   5   5  0.34   7  0.87  molprobity     1  True   
117  117  mp        -46.7   -46.0  Favored  11   8  0.35  11  0.68  molprobity     1  True   
118  118  ?         -59.9   -48.1  Favored   5   5  0.34   7  0.87  molprobity     1  True   
119  119  mm        -63.7   -18.5  Favored  11   8  0.36  11  0.68  molprobity     1  True   
120  120  mt-30    -101.2   -11.2  Favored   8   9  0.45  12  0.63  molprobity     1  True   
121  121  ?          70.3    13.4  Favored   3   4  0.54   5  0.65  molprobity     1  True   
122  122  ?          56.6    94.0  OUTLIER   3   4  0.78   6  0.99  molprobity     1  True   
123  123  Cg_endo   -75.0  -162.2  Allowed   7   8  0.57  11  0.77  molprobity     ?  False  
124  124  mpp_?         ?       ?  ?        13  10  0.95  11  0.98  molprobity     ?  False  
125  125  p             ?       ?  ?         7   6  0.36   8  0.60  molprobity     ?  False  
126  126  t90       -95.5   -24.9  Favored  10  16  1.10  23  1.60  molprobity     ?  False  
127  127  tp        -80.9   -16.6  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
128  128  t         -99.9    -9.0  Favored   5   6  0.35   8  0.59  molprobity     1  True   
129  129  OUTLIER   -92.1   -26.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
130  130  p         -82.1   -23.7  Favored   7   7  0.27  10  1.28  molprobity     1  True   
131  131  ?         -69.6   -23.6  Favored   5   5  0.35   7  0.87  molprobity     1  True   
132  132  OUTLIER   -59.6   -37.9  Favored  13   9  0.40  11  0.80  molprobity     1  True   
133  133  ptmt      -75.1   -17.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
134  134  mt        -83.4   -41.4  Favored  11   8  0.33  11  0.77  molprobity     1  True   
135  135  pt-20     -74.1   -15.9  Favored   6   9  1.27  12  0.95  molprobity     1  True   
136  136  OUTLIER   -50.6   -72.8  OUTLIER   6   8  0.51  11  0.83  molprobity     1  True   
137  137  OUTLIER   -58.5   -23.7  Favored   5   6  0.36   8  0.59  molprobity     1  True   
138  138  ?         -71.7   -25.1  Favored   5   5  0.35   7  0.87  molprobity     1  True   
139  139  OUTLIER   -57.2   -19.7  Favored  13   9  0.39  11  0.80  molprobity     1  True   
140  140  mmtt      -87.2   -40.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
141  141  mmt85     -75.2   -10.3  Favored  13  11  0.92  14  0.97  molprobity     1  True   
142  142  mt        -99.2   -34.7  Favored  11   8  0.36  11  0.67  molprobity     1  True   
143  143  t         -87.5    -9.3  Favored   5   6  0.36   8  0.58  molprobity     1  True   
144  144  mm-40     -95.6   -44.8  Favored   6   9  1.29  12  0.89  molprobity     1  True   
145  145  ?         -48.0   -27.3  Favored   3   4  0.57   5  0.78  molprobity     1  True   
146  146  pp        -95.7   -28.6  Favored  11   8  0.35  11  0.68  molprobity     1  True   
147  147  ?         -74.0   -68.3  Allowed   5   5  0.32   7  0.87  molprobity     1  True   
148  148  mp        -47.1   -46.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
149  149  ?         -56.8   -43.7  Favored   5   5  0.35   7  0.87  molprobity     1  True   
150  150  mm        -66.8   -25.3  Favored  11   8  0.35  11  0.68  molprobity     1  True   
151  151  mt-30     -90.4   -16.9  Favored   8   9  0.46  12  0.64  molprobity     1  True   
152  152  ?          84.1     0.8  Favored   3   4  0.49   5  0.63  molprobity     1  True   
153  153  ?          63.1    68.1  Allowed   3   4  0.76   6  0.98  molprobity     1  True   
154  154  Cg_endo   -75.1  -162.3  Allowed   7   8  0.56  11  0.77  molprobity     ?  False  
155  155  mtm-85        ?       ?  ?        13  10  0.95  11  0.96  molprobity     ?  False  
156  156  t             ?       ?  ?         7   6  0.37   8  0.57  molprobity     ?  False  
157  157  m0        -62.7   -21.9  Favored  10  16  1.11  23  1.61  molprobity     ?  False  
158  158  OUTLIER   -81.6   -49.8  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
159  159  t         -65.0   -27.4  Favored   5   6  0.34   8  0.58  molprobity     1  True   
160  160  OUTLIER   -64.0   -30.5  Favored  13   9  0.39  11  0.80  molprobity     1  True   
161  161  p         -96.6   -26.9  Favored   7   7  0.26  10  1.28  molprobity     1  True   
162  162  ?         -70.4   -19.2  Favored   5   5  0.34   7  0.88  molprobity     1  True   
163  163  tptm      -83.8   -17.0  Favored  13   9  0.40  11  0.80  molprobity     1  True   
164  164  OUTLIER   -89.6   -23.2  Favored  13   9  0.41  11  0.81  molprobity     1  True   
165  165  mt        -77.9   -20.0  Favored  11   8  0.33  11  0.76  molprobity     1  True   
166  166  pt-20     -92.6   -15.2  Favored   6   9  1.29  12  0.94  molprobity     1  True   
167  167  OUTLIER   -54.0   -28.5  Favored   6   8  0.50  11  0.83  molprobity     1  True   
168  168  m         -77.3   -27.4  Favored   5   6  0.34   8  0.58  molprobity     1  True   
169  169  ?         -68.8   -24.5  Favored   5   5  0.35   7  0.87  molprobity     1  True   
170  170  mtpp      -60.2   -16.1  Favored  13   9  0.41  11  0.80  molprobity     1  True   
171  171  OUTLIER   -90.3   -25.2  Favored  13   9  0.40  11  0.80  molprobity     1  True   
172  172  mpt_?     -73.9   -28.9  Favored  13  11  0.93  14  0.96  molprobity     1  True   
173  173  mt        -75.9   -43.0  Favored  11   8  0.35  11  0.68  molprobity     1  True   
174  174  m         -72.4   -32.0  Favored   5   6  0.35   8  0.59  molprobity     1  True   
175  175  mm-40     -87.3   -27.7  Favored   6   9  1.28  12  0.90  molprobity     1  True   
176  176  ?         -59.8   -26.2  Favored   3   4  0.58   5  0.78  molprobity     1  True   
177  177  pp        -98.4   -31.2  Favored  11   8  0.35  11  0.68  molprobity     1  True   
178  178  ?         -68.7   -64.2  Allowed   5   5  0.34   7  0.86  molprobity     1  True   
179  179  mp        -50.0   -42.0  Favored  11   8  0.35  11  0.67  molprobity     1  True   
180  180  ?         -63.7   -47.2  Favored   5   5  0.34   7  0.87  molprobity     1  True   
181  181  mm        -69.0   -16.2  Favored  11   8  0.36  11  0.68  molprobity     1  True   
182  182  mt-30     -93.1   -19.4  Favored   8   9  0.47  12  0.65  molprobity     1  True   
183  183  ?          90.8   -21.5  Favored   3   4  0.53   5  0.64  molprobity     1  True   
184  184  ?          97.9    79.8  Allowed   3   4  0.77   6  0.99  molprobity     1  True   
185  185  Cg_endo   -75.0  -162.2  Allowed   7   8  0.57  11  0.77  molprobity     ?  False  
186  186  ptt-85        ?       ?  ?        13  10  0.97  11  0.96  molprobity     ?  False  
187  187  p             ?       ?  ?         7   6  0.35   8  0.59  molprobity     ?  False  
188  188  m-90      -70.0   -27.5  Favored  10  16  1.08  23  1.60  molprobity     ?  False  
189  189  tp        -78.7   -21.9  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
190  190  t         -98.0    -6.5  Favored   5   6  0.36   8  0.59  molprobity     1  True   
191  191  OUTLIER   -91.8   -33.0  Favored  13   9  0.41  11  0.81  molprobity     1  True   
192  192  p         -85.0   -26.4  Favored   7   7  0.26  10  1.28  molprobity     1  True   
193  193  ?         -77.9   -17.5  Favored   5   5  0.34   7  0.88  molprobity     1  True   
194  194  OUTLIER   -67.9   -17.5  Favored  13   9  0.40  11  0.81  molprobity     1  True   
195  195  ptmm?     -82.1   -17.2  Favored  13   9  0.40  11  0.80  molprobity     1  True   
196  196  mt        -84.7   -33.4  Favored  11   8  0.33  11  0.78  molprobity     1  True   
197  197  pt-20     -81.3   -14.8  Favored   6   9  1.30  12  0.95  molprobity     1  True   
198  198  OUTLIER   -61.2   -23.2  Favored   6   8  0.49  11  0.82  molprobity     1  True   
199  199  t         -83.3   -23.8  Favored   5   6  0.35   8  0.59  molprobity     1  True   
200  200  ?         -75.5   -20.2  Favored   5   5  0.34   7  0.87  molprobity     1  True   
201  201  mtmm      -63.9   -17.6  Favored  13   9  0.40  11  0.81  molprobity     1  True   
202  202  OUTLIER   -88.9   -17.9  Favored  13   9  0.40  11  0.80  molprobity     1  True   
203  203  mmm180    -89.4   -26.1  Favored  13  11  0.93  14  0.95  molprobity     1  True   
204  204  mp        -81.9   -23.9  Favored  11   8  0.34  11  0.68  molprobity     1  True   
205  205  m         -89.9   -28.7  Favored   5   6  0.34   8  0.58  molprobity     1  True   
206  206  mt-10     -85.3   -35.9  Favored   6   9  1.26  12  0.89  molprobity     1  True   
207  207  ?         -62.6   -25.9  Favored   3   4  0.59   5  0.78  molprobity     1  True   
208  208  pp        -97.3   -28.4  Favored  11   8  0.35  11  0.69  molprobity     1  True   
209  209  ?         -73.6   -65.4  Allowed   5   5  0.34   7  0.87  molprobity     1  True   
210  210  mp        -49.4   -45.8  Favored  11   8  0.35  11  0.68  molprobity     1  True   
211  211  ?         -57.5   -45.8  Favored   5   5  0.34   7  0.87  molprobity     1  True   
212  212  mm        -59.0   -46.0  Favored  11   8  0.36  11  0.67  molprobity     1  True   
213  213  mt-30     -72.9   -17.6  Favored   8   9  0.46  12  0.64  molprobity     1  True   
214  214  ?          88.8    -3.0  Favored   3   4  0.52   5  0.65  molprobity     1  True   
215  215  ?          72.2    72.7  Allowed   3   4  0.76   6  0.98  molprobity     1  True   
216  216  Cg_endo   -75.0   104.8  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
217  217  ptp85         ?       ?  ?        13  10  0.95  11  0.99  molprobity     ?  False  
218  218  OUTLIER       ?       ?  ?         7   6  0.36   8  0.60  molprobity     ?  False  
219  219  m95       -51.0   -24.1  Favored  10  16  1.11  23  1.60  molprobity     ?  False  
220  220  tt        -74.7   -56.7  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
221  221  t         -74.2    -3.6  Favored   5   6  0.36   8  0.59  molprobity     1  True   
222  222  OUTLIER   -67.8   -28.0  Favored  13   9  0.41  11  0.81  molprobity     1  True   
223  223  p         -87.0   -20.1  Favored   7   7  0.27  10  1.29  molprobity     1  True   
224  224  ?         -78.5   -21.8  Favored   5   5  0.34   7  0.89  molprobity     1  True   
225  225  OUTLIER   -64.8   -36.7  Favored  13   9  0.40  11  0.81  molprobity     1  True   
226  226  mttt      -73.0   -18.7  Favored  13   9  0.40  11  0.81  molprobity     1  True   
227  227  mt        -82.9   -41.5  Favored  11   8  0.32  11  0.78  molprobity     1  True   
228  228  pt-20     -75.9    -7.8  Favored   6   9  1.27  12  0.94  molprobity     1  True   
229  229  OUTLIER   -64.6   -25.9  Favored   6   8  0.50  11  0.83  molprobity     1  True   
230  230  m         -91.1   -13.5  Favored   5   6  0.36   8  0.58  molprobity     1  True   
231  231  ?         -82.5   -19.9  Favored   5   5  0.33   7  0.87  molprobity     1  True   
232  232  mtmt      -64.1   -16.5  Favored  13   9  0.41  11  0.81  molprobity     1  True   
233  233  OUTLIER   -94.2   -16.0  Favored  13   9  0.40  11  0.80  molprobity     1  True   
234  234  mpt_?     -80.9   -31.5  Favored  13  11  0.93  14  0.95  molprobity     1  True   
235  235  mp        -81.2   -28.1  Favored  11   8  0.36  11  0.67  molprobity     1  True   
236  236  m         -83.2   -30.9  Favored   5   6  0.35   8  0.59  molprobity     1  True   
237  237  mt-10     -89.4   -35.9  Favored   6   9  1.29  12  0.90  molprobity     1  True   
238  238  ?         -56.4   -23.4  Favored   3   4  0.59   5  0.79  molprobity     1  True   
239  239  pp        -98.2   -36.3  Favored  11   8  0.34  11  0.68  molprobity     1  True   
240  240  ?         -67.1   -66.5  Allowed   5   5  0.36   7  0.88  molprobity     1  True   
241  241  mp        -47.5   -44.1  Favored  11   8  0.35  11  0.68  molprobity     1  True   
242  242  ?         -59.5   -46.0  Favored   5   5  0.34   7  0.88  molprobity     1  True   
243  243  mm        -68.8   -23.2  Favored  11   8  0.35  11  0.68  molprobity     1  True   
244  244  mt-30     -91.1   -13.2  Favored   8   9  0.46  12  0.64  molprobity     1  True   
245  245  ?          79.1    -3.5  Favored   3   4  0.52   5  0.65  molprobity     1  True   
246  246  ?          68.0    77.9  Allowed   3   4  0.78   6  0.98  molprobity     1  True   
247  247  Cg_endo   -75.1   104.8  Allowed   7   8  0.58  11  0.77  molprobity     ?  False  
248  248  ttp180        ?       ?  ?        13  10  0.95  11  0.98  molprobity     ?  False  
249  249  t             ?       ?  ?         7   6  0.36   8  0.59  molprobity     ?  False  
250  250  t90       -50.7   -24.2  Favored  10  16  1.10  23  1.61  molprobity     ?  False  
251  251  tt        -74.7   -56.5  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
252  252  t         -74.5    -2.9  Favored   5   6  0.35   8  0.60  molprobity     1  True   
253  253  OUTLIER   -68.4   -26.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
254  254  p         -99.8   -23.2  Favored   7   7  0.27  10  1.28  molprobity     1  True   
255  255  ?         -72.7   -21.8  Favored   5   5  0.34   7  0.87  molprobity     1  True   
256  256  OUTLIER   -59.7   -40.2  Favored  13   9  0.40  11  0.81  molprobity     1  True   
257  257  mtmt      -73.1   -16.5  Favored  13   9  0.40  11  0.80  molprobity     1  True   
258  258  mt        -84.8   -41.5  Favored  11   8  0.33  11  0.77  molprobity     1  True   
259  259  pt-20     -75.0    -8.5  Favored   6   9  1.30  12  0.94  molprobity     1  True   
260  260  OUTLIER   -62.4   -16.0  Favored   6   8  0.50  11  0.83  molprobity     1  True   
261  261  p         -77.2   -29.1  Favored   5   6  0.36   8  0.59  molprobity     1  True   
262  262  ?         -77.8   -17.0  Favored   5   5  0.35   7  0.87  molprobity     1  True   
263  263  mmpt?     -69.4   -15.9  Favored  13   9  0.40  11  0.81  molprobity     1  True   
264  264  OUTLIER   -91.4   -15.2  Favored  13   9  0.39  11  0.80  molprobity     1  True   
265  265  mmm-85    -88.5   -32.8  Favored  13  11  0.92  14  0.95  molprobity     1  True   
266  266  mp        -71.8   -31.2  Favored  11   8  0.35  11  0.67  molprobity     1  True   
267  267  t         -83.9   -32.4  Favored   5   6  0.36   8  0.58  molprobity     1  True   
268  268  mm-40     -82.0   -24.9  Favored   6   9  1.27  12  0.90  molprobity     1  True   
269  269  ?         -60.8   -30.6  Favored   3   4  0.55   5  0.78  molprobity     1  True   
270  270  OUTLIER   -99.1   -30.7  Favored  11   8  0.35  11  0.68  molprobity     1  True   
271  271  ?         -64.1   -64.6  Allowed   5   5  0.34   7  0.88  molprobity     1  True   
272  272  mp        -52.3   -46.5  Favored  11   8  0.36  11  0.68  molprobity     1  True   
273  273  ?         -58.4   -40.8  Favored   5   5  0.34   7  0.87  molprobity     1  True   
274  274  mm        -73.9   -16.1  Favored  11   8  0.35  11  0.68  molprobity     1  True   
275  275  mt-30     -97.8   -16.9  Favored   8   9  0.46  12  0.64  molprobity     1  True   
276  276  ?          82.2    -2.8  Favored   3   4  0.50   5  0.63  molprobity     1  True   
277  277  ?          74.9    87.7  Allowed   3   4  0.77   6  0.99  molprobity     1  True   
278  278  Cg_endo   -75.0   104.7  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
279  279  ptt-85        ?       ?  ?        13  10  0.95  11  0.97  molprobity     ?  False  
280  280  m             ?       ?  ?         7   6  0.36   8  0.60  molprobity     ?  False  
281  281  t-105     -66.8   -21.6  Favored  10  16  1.11  23  1.60  molprobity     ?  False  
282  282  tp        -98.0   -14.9  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
283  283  m        -104.6    -5.2  Favored   5   6  0.35   8  0.59  molprobity     1  True   
284  284  OUTLIER   -77.7   -21.9  Favored  13   9  0.40  11  0.81  molprobity     1  True   
285  285  p         -91.2   -14.4  Favored   7   7  0.27  10  1.28  molprobity     1  True   
286  286  ?         -87.8   -17.4  Favored   5   5  0.36   7  0.87  molprobity     1  True   
287  287  tppt?     -72.5   -38.0  Favored  13   9  0.40  11  0.80  molprobity     1  True   
288  288  pttm      -67.3   -16.1  Favored  13   9  0.39  11  0.81  molprobity     1  True   
289  289  mt        -86.6   -41.2  Favored  11   8  0.32  11  0.76  molprobity     1  True   
290  290  pt-20     -81.7   -10.3  Favored   6   9  1.31  12  0.95  molprobity     1  True   
291  291  OUTLIER   -75.2   -15.2  Favored   6   8  0.50  11  0.83  molprobity     1  True   
292  292  m        -101.5   -24.6  Favored   5   6  0.35   8  0.59  molprobity     1  True   
293  293  ?         -59.9   -16.2  Favored   5   5  0.34   7  0.87  molprobity     1  True   
294  294  OUTLIER   -60.9   -15.5  Favored  13   9  0.40  11  0.80  molprobity     1  True   
295  295  OUTLIER   -98.8   -15.9  Favored  13   9  0.41  11  0.80  molprobity     1  True   
296  296  OUTLIER   -89.0   -20.2  Favored  13  11  0.91  14  0.95  molprobity     1  True   
297  297  mp        -86.0   -22.7  Favored  11   8  0.36  11  0.67  molprobity     1  True   
298  298  t         -96.5   -26.6  Favored   5   6  0.35   8  0.59  molprobity     1  True   
299  299  mm-40     -89.7   -46.3  Favored   6   9  1.26  12  0.90  molprobity     1  True   
300  300  ?         -49.4   -24.9  Favored   3   4  0.56   5  0.78  molprobity     1  True   
301  301  pp        -98.5   -32.9  Favored  11   8  0.35  11  0.68  molprobity     1  True   
302  302  ?         -68.1   -67.0  Allowed   5   5  0.34   7  0.87  molprobity     1  True   
303  303  mp        -45.8   -45.7  Favored  11   8  0.35  11  0.68  molprobity     1  True   
304  304  ?         -59.3   -48.3  Favored   5   5  0.35   7  0.88  molprobity     1  True   
305  305  mm        -61.5   -26.3  Favored  11   8  0.35  11  0.68  molprobity     1  True   
306  306  mt-30     -85.1   -14.2  Favored   8   9  0.45  12  0.64  molprobity     1  True   
307  307  ?          93.0   -27.9  Favored   3   4  0.50   5  0.65  molprobity     1  True   
308  308  ?          89.0    79.6  Allowed   3   4  0.77   6  0.99  molprobity     1  True   
309  309  Cg_endo   -74.9  -162.3  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
310  310  OUTLIER       ?       ?  ?        13  10  0.96  11  0.97  molprobity     ?  False  
311  311  p             ?       ?  ?         7   6  0.37   8  0.60  molprobity     ?  False  
312  312  m0        -59.6   -25.4  Favored  10  16  1.10  23  1.61  molprobity     ?  False  
313  313  tp        -85.5   -28.7  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
314  314  t         -88.2    -9.5  Favored   5   6  0.38   8  0.59  molprobity     1  True   
315  315  OUTLIER   -87.3   -32.8  Favored  13   9  0.40  11  0.82  molprobity     1  True   
316  316  p         -86.5   -23.6  Favored   7   7  0.26  10  1.27  molprobity     1  True   
317  317  ?         -68.2   -15.9  Favored   5   5  0.35   7  0.88  molprobity     1  True   
318  318  tptt      -74.9   -15.9  Favored  13   9  0.40  11  0.81  molprobity     1  True   
319  319  ptmm?     -90.0   -25.9  Favored  13   9  0.39  11  0.81  molprobity     1  True   
320  320  mt        -74.7   -16.6  Favored  11   8  0.32  11  0.77  molprobity     1  True   
321  321  pt-20     -95.2   -19.2  Favored   6   9  1.31  12  0.94  molprobity     1  True   
322  322  OUTLIER   -51.1   -23.4  Favored   6   8  0.51  11  0.84  molprobity     1  True   
323  323  m         -80.8   -32.7  Favored   5   6  0.34   8  0.60  molprobity     1  True   
324  324  ?         -59.6   -24.9  Favored   5   5  0.32   7  0.87  molprobity     1  True   
325  325  OUTLIER   -60.0   -21.8  Favored  13   9  0.40  11  0.81  molprobity     1  True   
326  326  mttp      -80.9   -21.2  Favored  13   9  0.40  11  0.81  molprobity     1  True   
327  327  OUTLIER   -89.1   -21.4  Favored  13  11  0.92  14  0.97  molprobity     1  True   
328  328  mp        -83.6   -23.4  Favored  11   8  0.35  11  0.68  molprobity     1  True   
329  329  t         -96.6   -27.3  Favored   5   6  0.36   8  0.59  molprobity     1  True   
330  330  mt-10     -97.2   -30.1  Favored   6   9  1.30  12  0.90  molprobity     1  True   
331  331  ?         -64.7   -23.0  Favored   3   4  0.55   5  0.77  molprobity     1  True   
332  332  OUTLIER   -99.0   -38.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
333  333  ?         -62.4   -56.1  Favored   5   5  0.33   7  0.87  molprobity     1  True   
334  334  mp        -59.1   -49.0  Favored  11   8  0.35  11  0.68  molprobity     1  True   
335  335  ?         -50.3   -52.6  Favored   5   5  0.35   7  0.88  molprobity     1  True   
336  336  mt        -55.3   -53.1  Favored  11   8  0.36  11  0.68  molprobity     1  True   
337  337  mt-30     -59.0   -16.3  Favored   8   9  0.45  12  0.64  molprobity     1  True   
338  338  ?          56.5    26.2  Favored   3   4  0.51   5  0.63  molprobity     1  True   
339  339  ?         -40.0   -69.7  Allowed   3   4  0.77   6  0.98  molprobity     1  True   
340  340  Cg_endo   -75.0   104.8  Allowed   7   8  0.57  11  0.78  molprobity     ?  False  
341  341  ttt-85        ?       ?  ?        13  10  0.94  11  0.96  molprobity     ?  False  
342  342  m             ?       ?  ?         7   6  0.37   8  0.59  molprobity     ?  False  
343  343  m0        -98.0   -22.0  Favored  10  16  1.09  23  1.60  molprobity     ?  False  
344  344  OUTLIER   -83.5   -50.2  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
345  345  t         -60.5   -30.1  Favored   5   6  0.37   8  0.59  molprobity     1  True   
346  346  OUTLIER   -67.4   -25.3  Favored  13   9  0.40  11  0.80  molprobity     1  True   
347  347  p        -101.6   -21.4  Favored   7   7  0.27  10  1.27  molprobity     1  True   
348  348  ?         -72.8   -24.8  Favored   5   5  0.34   7  0.87  molprobity     1  True   
349  349  tptm      -54.4   -29.3  Favored  13   9  0.41  11  0.80  molprobity     1  True   
350  350  OUTLIER   -85.2   -24.6  Favored  13   9  0.39  11  0.80  molprobity     1  True   
351  351  mt        -76.5   -31.7  Favored  11   8  0.33  11  0.78  molprobity     1  True   
352  352  pt-20     -81.0   -13.2  Favored   6   9  1.28  12  0.94  molprobity     1  True   
353  353  OUTLIER   -76.7   -45.9  Favored   6   8  0.50  11  0.83  molprobity     1  True   
354  354  m         -76.0    -9.7  Favored   5   6  0.36   8  0.59  molprobity     1  True   
355  355  ?         -87.7   -24.8  Favored   5   5  0.35   7  0.87  molprobity     1  True   
356  356  ptpt      -53.9   -25.6  Favored  13   9  0.39  11  0.80  molprobity     1  True   
357  357  mmmm      -81.7   -29.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
358  358  mpt_?     -74.9   -20.9  Favored  13  11  0.91  14  0.99  molprobity     1  True   
359  359  mt        -75.8   -52.6  Favored  11   8  0.35  11  0.68  molprobity     1  True   
360  360  t         -72.8   -16.5  Favored   5   6  0.34   8  0.58  molprobity     1  True   
361  361  mm-40     -95.1   -30.9  Favored   6   9  1.27  12  0.89  molprobity     1  True   
362  362  ?         -57.3   -25.7  Favored   3   4  0.59   5  0.79  molprobity     1  True   
363  363  pp        -97.5   -34.3  Favored  11   8  0.36  11  0.68  molprobity     1  True   
364  364  ?         -66.5   -65.3  Allowed   5   5  0.33   7  0.87  molprobity     1  True   
365  365  mp        -47.6   -47.1  Favored  11   8  0.35  11  0.68  molprobity     1  True   
366  366  ?         -58.6   -46.0  Favored   5   5  0.36   7  0.87  molprobity     1  True   
367  367  mm        -64.2   -25.1  Favored  11   8  0.35  11  0.68  molprobity     1  True   
368  368  mt-30     -89.3   -15.8  Favored   8   9  0.46  12  0.64  molprobity     1  True   
369  369  ?          90.1   -33.4  Favored   3   4  0.53   5  0.65  molprobity     1  True   
370  370  ?         138.1    85.1  Allowed   3   4  0.76   6  0.98  molprobity     1  True   
371  371  Cg_endo   -75.0   104.8  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
372  372  mmm-85        ?       ?  ?        13  10  0.95  11  1.00  molprobity     ?  False  
373  373  t             ?       ?  ?         7   6  0.37   8  0.60  molprobity     ?  False  
374  374  t90       -65.5   -22.2  Favored  10  16  1.10  23  1.60  molprobity     ?  False  
375  375  tp        -97.9   -15.1  Favored  11   8  0.32  11  0.77  molprobity     ?  False  
376  376  t        -103.6    -4.8  Favored   5   6  0.36   8  0.59  molprobity     1  True   
377  377  OUTLIER   -79.5   -19.4  Favored  13   9  0.40  11  0.81  molprobity     1  True   
378  378  p         -94.4   -18.3  Favored   7   7  0.26  10  1.28  molprobity     1  True   
379  379  ?         -78.7   -28.1  Favored   5   5  0.35   7  0.87  molprobity     1  True   
380  380  OUTLIER   -72.0   -15.5  Favored  13   9  0.40  11  0.81  molprobity     1  True   
381  381  mmmt      -64.7   -12.6  Favored  13   9  0.40  11  0.80  molprobity     1  True   
382  382  mt        -87.2   -37.2  Favored  11   8  0.33  11  0.76  molprobity     1  True   
383  383  pt-20     -76.1   -26.2  Favored   6   9  1.28  12  0.95  molprobity     1  True   
384  384  OUTLIER   -41.9   -68.2  Allowed   6   8  0.50  11  0.84  molprobity     1  True   
385  385  t         -57.8   -23.1  Favored   5   6  0.37   8  0.60  molprobity     1  True   
386  386  ?         -76.5   -25.2  Favored   5   5  0.36   7  0.86  molprobity     1  True   
387  387  ptmt      -64.1   -16.3  Favored  13   9  0.40  11  0.81  molprobity     1  True   
388  388  mmtt      -89.1   -16.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
389  389  mmm-85    -90.7   -26.3  Favored  13  11  0.93  14  0.97  molprobity     1  True   
390  390  mp        -79.8   -26.2  Favored  11   8  0.36  11  0.67  molprobity     1  True   
391  391  m         -91.8   -17.8  Favored   5   6  0.37   8  0.58  molprobity     1  True   
392  392  mt-10     -97.0   -26.6  Favored   6   9  1.28  12  0.90  molprobity     1  True   
393  393  ?         -64.6   -23.1  Favored   3   4  0.58   5  0.78  molprobity     1  True   
394  394  OUTLIER   -99.1   -38.2  Favored  11   8  0.36  11  0.68  molprobity     1  True   
395  395  ?         -62.5   -55.8  Favored   5   5  0.32   7  0.88  molprobity     1  True   
396  396  mp        -59.6   -49.0  Favored  11   8  0.35  11  0.68  molprobity     1  True   
397  397  ?         -50.2   -52.7  Favored   5   5  0.34   7  0.87  molprobity     1  True   
398  398  mt        -55.7   -47.6  Favored  11   8  0.34  11  0.67  molprobity     1  True   
399  399  mt-30     -64.1   -19.6  Favored   8   9  0.47  12  0.64  molprobity     1  True   
400  400  ?          62.0    23.4  Favored   3   4  0.52   5  0.65  molprobity     1  True   
401  401  ?         -40.7   -81.6  OUTLIER   3   4  0.78   6  0.99  molprobity     1  True   
402  402  Cg_endo   -75.0   104.8  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
403  403  ttp85         ?       ?  ?        13  10  0.94  11  0.98  molprobity     ?  False  
404  404  m             ?       ?  ?         7   6  0.36   8  0.58  molprobity     ?  False  
405  405  m-90      -80.9   -23.9  Favored  10  16  1.11  23  1.61  molprobity     ?  False  
406  406  tp        -75.9   -23.3  Favored  11   8  0.33  11  0.78  molprobity     ?  False  
407  407  t         -99.3    -8.9  Favored   5   6  0.36   8  0.60  molprobity     1  True   
408  408  OUTLIER   -80.4   -26.9  Favored  13   9  0.40  11  0.80  molprobity     1  True   
409  409  p         -83.5   -20.7  Favored   7   7  0.28  10  1.27  molprobity     1  True   
410  410  ?         -84.5   -23.3  Favored   5   5  0.35   7  0.88  molprobity     1  True   
411  411  OUTLIER   -68.5   -21.1  Favored  13   9  0.39  11  0.81  molprobity     1  True   
412  412  mtpp      -81.4   -16.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
413  413  mt        -84.5   -31.9  Favored  11   8  0.32  11  0.77  molprobity     1  True   
414  414  pt-20     -84.7   -23.9  Favored   6   9  1.28  12  0.94  molprobity     1  True   
415  415  OUTLIER   -65.3   -12.1  Favored   6   8  0.51  11  0.83  molprobity     1  True   
416  416  m         -89.7    -7.6  Favored   5   6  0.38   8  0.58  molprobity     1  True   
417  417  ?         -80.8   -28.6  Favored   5   5  0.34   7  0.87  molprobity     1  True   
418  418  OUTLIER   -59.9   -29.2  Favored  13   9  0.39  11  0.80  molprobity     1  True   
419  419  mmtm      -80.5   -14.0  Favored  13   9  0.40  11  0.80  molprobity     1  True   
420  420  OUTLIER   -92.2   -23.5  Favored  13  11  0.92  14  0.97  molprobity     1  True   
421  421  mp        -75.3   -27.4  Favored  11   8  0.35  11  0.69  molprobity     1  True   
422  422  m         -93.8   -37.6  Favored   5   6  0.37   8  0.59  molprobity     1  True   
423  423  OUTLIER   -74.7   -43.7  Favored   6   9  1.26  12  0.89  molprobity     1  True   
424  424  ?         -43.1   -35.6  Favored   3   4  0.59   5  0.80  molprobity     1  True   
425  425  OUTLIER   -93.6   -33.8  Favored  11   8  0.35  11  0.67  molprobity     1  True   
426  426  ?         -60.8   -70.2  Allowed   5   5  0.35   7  0.87  molprobity     1  True   
427  427  mp        -46.2   -46.9  Favored  11   8  0.35  11  0.68  molprobity     1  True   
428  428  ?         -58.8   -38.9  Favored   5   5  0.34   7  0.88  molprobity     1  True   
429  429  mm        -70.2   -26.8  Favored  11   8  0.35  11  0.69  molprobity     1  True   
430  430  mt-30     -89.9    -8.8  Favored   8   9  0.46  12  0.64  molprobity     1  True   
431  431  ?          48.1    26.7  Favored   3   4  0.54   5  0.64  molprobity     1  True   
432  432  ?         -44.3   -84.5  OUTLIER   3   4  0.76   6  0.98  molprobity     1  True   
433  433  Cg_endo   -75.0  -162.3  Allowed   7   8  0.57  11  0.78  molprobity     ?  False  
434  434  ttm180        ?       ?  ?        13  10  0.96  11  0.99  molprobity     ?  False  
435  435  m             ?       ?  ?         7   6  0.36   8  0.58  molprobity     ?  False  
436  436  t90       -98.0   -24.9  Favored  10  16  1.11  23  1.60  molprobity     ?  False  
437  437  tt        -98.5   -52.2  Favored  11   8  0.31  11  0.77  molprobity     ?  False  
438  438  t         -53.0   -21.7  Favored   5   6  0.36   8  0.59  molprobity     1  True   
439  439  OUTLIER   -76.7   -33.6  Favored  13   9  0.40  11  0.80  molprobity     1  True   
440  440  p         -86.7   -26.0  Favored   7   7  0.27  10  1.28  molprobity     1  True   
441  441  ?         -69.1   -15.8  Favored   5   5  0.34   7  0.87  molprobity     1  True   
442  442  tppp?     -77.6   -18.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
443  443  mtpp      -91.6   -21.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
444  444  mt        -81.8   -20.4  Favored  11   8  0.33  11  0.77  molprobity     1  True   
445  445  pt-20     -92.5   -25.3  Favored   6   9  1.32  12  0.95  molprobity     1  True   
446  446  OUTLIER   -64.4   -16.6  Favored   6   8  0.50  11  0.83  molprobity     1  True   
447  447  p         -91.8   -32.0  Favored   5   6  0.35   8  0.60  molprobity     1  True   
448  448  ?         -61.0   -22.9  Favored   5   5  0.34   7  0.86  molprobity     1  True   
449  449  OUTLIER   -63.3   -20.7  Favored  13   9  0.39  11  0.80  molprobity     1  True   
450  450  mmtt      -89.4   -28.8  Favored  13   9  0.41  11  0.80  molprobity     1  True   
451  451  OUTLIER   -73.7   -22.3  Favored  13  11  0.91  14  0.98  molprobity     1  True   
452  452  mt        -76.4   -41.2  Favored  11   8  0.35  11  0.68  molprobity     1  True   
453  453  t         -79.6   -16.5  Favored   5   6  0.36   8  0.58  molprobity     1  True   
454  454  mt-10     -94.8   -33.1  Favored   6   9  1.28  12  0.89  molprobity     1  True   
455  455  ?         -62.0   -22.3  Favored   3   4  0.58   5  0.79  molprobity     1  True   
456  456  pp        -97.9   -37.9  Favored  11   8  0.35  11  0.67  molprobity     1  True   
457  457  ?         -67.1   -70.7  Allowed   5   5  0.34   7  0.89  molprobity     1  True   
458  458  mp        -41.4   -43.5  Allowed  11   8  0.35  11  0.68  molprobity     1  True   
459  459  ?         -62.2   -47.8  Favored   5   5  0.33   7  0.87  molprobity     1  True   
460  460  mm        -56.7   -74.6  OUTLIER  11   8  0.35  11  0.67  molprobity     1  True   
461  461  pt20      -41.2   -28.4  Allowed   8   9  0.46  12  0.64  molprobity     1  True   
462  462  ?          69.6    47.4  Favored   3   4  0.51   5  0.63  molprobity     1  True   
463  463  ?         -53.6   -63.9  Favored   3   4  0.76   6  0.99  molprobity     1  True   
464  464  Cg_endo   -75.0  -162.2  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
465  465  mtm180        ?       ?  ?        13  10  0.94  11  0.97  molprobity     ?  False  
466  466  p             ?       ?  ?         7   6  0.35   8  0.59  molprobity     ?  False  
467  467  t90       -55.8   -38.5  Favored  10  16  1.08  23  1.61  molprobity     ?  False  
468  468  tp        -69.8   -70.1  Allowed  11   8  0.32  11  0.77  molprobity     ?  False  
469  469  t         -40.2   -34.6  Allowed   5   6  0.36   8  0.59  molprobity     1  True   
470  470  ttmt      -42.5   -74.6  OUTLIER  13   9  0.40  11  0.81  molprobity     1  True   
471  471  p         -59.5   -27.1  Favored   7   7  0.27  10  1.28  molprobity     1  True   
472  472  ?         -66.9   -21.1  Favored   5   5  0.33   7  0.87  molprobity     1  True   
473  473  tmmm?     -59.5   -44.8  Favored  13   9  0.41  11  0.81  molprobity     1  True   
474  474  ptpt      -70.8   -16.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
475  475  mt        -86.4   -36.9  Favored  11   8  0.33  11  0.77  molprobity     1  True   
476  476  pt-20     -83.2    -5.5  Favored   6   9  1.29  12  0.94  molprobity     1  True   
477  477  OUTLIER   -81.2   -16.3  Favored   6   8  0.51  11  0.83  molprobity     1  True   
478  478  m         -91.5   -16.4  Favored   5   6  0.34   8  0.58  molprobity     1  True   
479  479  ?         -83.1   -21.4  Favored   5   5  0.35   7  0.88  molprobity     1  True   
480  480  pttt      -57.9   -21.8  Favored  13   9  0.40  11  0.80  molprobity     1  True   
481  481  mtmt      -81.5   -24.6  Favored  13   9  0.41  11  0.80  molprobity     1  True   
482  482  OUTLIER   -84.7   -24.0  Favored  13  11  0.93  14  0.94  molprobity     1  True   
483  483  mp        -77.9   -32.0  Favored  11   8  0.36  11  0.67  molprobity     1  True   
484  484  m         -85.8   -21.8  Favored   5   6  0.36   8  0.59  molprobity     1  True   
485  485  mm-40     -94.9   -28.9  Favored   6   9  1.28  12  0.89  molprobity     1  True   
486  486  ?         -61.7   -26.1  Favored   3   4  0.57   5  0.78  molprobity     1  True   
487  487  pp        -97.5   -36.5  Favored  11   8  0.36  11  0.68  molprobity     1  True   
488  488  ?         -64.8   -72.4  Allowed   5   5  0.35   7  0.87  molprobity     1  True   
489  489  mp        -42.4   -41.9  Allowed  11   8  0.36  11  0.68  molprobity     1  True   
490  490  ?         -61.5   -48.5  Favored   5   5  0.34   7  0.87  molprobity     1  True   
491  491  mm        -56.7   -74.5  OUTLIER  11   8  0.36  11  0.68  molprobity     1  True   
492  492  pt20      -41.6   -28.4  Allowed   8   9  0.45  12  0.63  molprobity     1  True   
493  493  ?         116.3   -46.9  Allowed   3   4  0.51   5  0.64  molprobity     1  True   
494  494  ?          97.2    91.2  Allowed   3   4  0.79   6  0.98  molprobity     1  True   
495  495  Cg_endo   -75.0  -162.2  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
496  496  mtm-85        ?       ?  ?        13  10  0.94  11  0.99  molprobity     ?  False  
497  497  t             ?       ?  ?         7   6  0.36   8  0.60  molprobity     ?  False  
498  498  m0        -50.8   -24.1  Favored  10  16  1.10  23  1.60  molprobity     ?  False  
499  499  tt        -73.9   -57.8  Favored  11   8  0.33  11  0.77  molprobity     ?  False  
500  500  t         -71.9    -8.0  Favored   5   6  0.35   8  0.59  molprobity     1  True   
501  501  OUTLIER   -64.8   -32.4  Favored  13   9  0.40  11  0.80  molprobity     1  True   
502  502  p         -83.4   -14.8  Favored   7   7  0.26  10  1.28  molprobity     1  True   
503  503  ?         -84.3   -22.5  Favored   5   5  0.34   7  0.86  molprobity     1  True   
504  504  tppt?     -71.7   -33.2  Favored  13   9  0.41  11  0.81  molprobity     1  True   
505  505  mtpm?     -71.7   -21.8  Favored  13   9  0.40  11  0.81  molprobity     1  True   
506  506  mt        -80.3   -38.7  Favored  11   8  0.32  11  0.77  molprobity     1  True   
507  507  pt-20     -83.4   -22.4  Favored   6   9  1.28  12  0.94  molprobity     1  True   
508  508  OUTLIER   -72.3   -23.4  Favored   6   8  0.50  11  0.83  molprobity     1  True   
509  509  t         -81.4   -16.8  Favored   5   6  0.37   8  0.59  molprobity     1  True   
510  510  ?         -86.5   -23.1  Favored   5   5  0.35   7  0.87  molprobity     1  True   
511  511  pttp      -58.7   -25.9  Favored  13   9  0.41  11  0.81  molprobity     1  True   
512  512  mttp      -78.8   -21.3  Favored  13   9  0.40  11  0.80  molprobity     1  True   
513  513  mmt85     -86.4   -27.4  Favored  13  11  0.92  14  0.97  molprobity     1  True   
514  514  mp        -78.7   -22.8  Favored  11   8  0.35  11  0.68  molprobity     1  True   
515  515  t         -94.3   -21.8  Favored   5   6  0.37   8  0.58  molprobity     1  True   
516  516  mm-40     -97.1   -24.6  Favored   6   9  1.27  12  0.89  molprobity     1  True   
517  517  ?         -64.7   -23.3  Favored   3   4  0.55   5  0.78  molprobity     1  True   
518  518  OUTLIER   -99.0   -38.5  Favored  11   8  0.34  11  0.68  molprobity     1  True   
519  519  ?         -62.5   -56.3  Favored   5   5  0.35   7  0.87  molprobity     1  True   
520  520  mp        -58.9   -48.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
521  521  ?         -50.5   -52.6  Favored   5   5  0.35   7  0.87  molprobity     1  True   
522  522  mt        -55.9   -50.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
523  523  mt-30     -62.0   -19.9  Favored   8   9  0.45  12  0.63  molprobity     1  True   
524  524  ?          74.7    12.3  Favored   3   4  0.52   5  0.63  molprobity     1  True   
525  525  ?          42.0    73.1  Allowed   3   4  0.78   6  0.99  molprobity     1  True   
526  526  Cg_endo   -75.0   104.8  Allowed   7   8  0.57  11  0.78  molprobity     ?  False  
527  527  ptp180        ?       ?  ?        13  10  0.96  11  0.96  molprobity     ?  False  
528  528  p             ?       ?  ?         7   6  0.37   8  0.61  molprobity     ?  False  
529  529  m95       -98.0   -23.1  Favored  10  16  1.09  23  1.60  molprobity     ?  False  
530  530  OUTLIER   -98.1   -49.3  Favored  11   8  0.32  11  0.76  molprobity     ?  False  
531  531  p         -58.1   -28.8  Favored   5   6  0.38   8  0.58  molprobity     1  True   
532  532  OUTLIER   -66.5   -23.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
533  533  p         -96.5   -16.9  Favored   7   7  0.26  10  1.28  molprobity     1  True   
534  534  ?         -83.2   -18.4  Favored   5   5  0.34   7  0.87  molprobity     1  True   
535  535  tppp?     -63.2   -39.9  Favored  13   9  0.39  11  0.81  molprobity     1  True   
536  536  ptmm?     -67.7   -16.9  Favored  13   9  0.41  11  0.81  molprobity     1  True   
537  537  mt        -86.3   -37.2  Favored  11   8  0.33  11  0.77  molprobity     1  True   
538  538  pt-20     -85.4   -14.5  Favored   6   9  1.27  12  0.94  molprobity     1  True   
539  539  OUTLIER   -76.9   -36.5  Favored   6   8  0.49  11  0.83  molprobity     1  True   
540  540  m         -73.3   -13.0  Favored   5   6  0.34   8  0.58  molprobity     1  True   
541  541  ?         -94.5   -21.9  Favored   5   5  0.35   7  0.87  molprobity     1  True   
542  542  ptmm?     -57.4   -21.0  Favored  13   9  0.40  11  0.81  molprobity     1  True   
543  543  mmmt      -86.1   -23.7  Favored  13   9  0.39  11  0.80  molprobity     1  True   
544  544  mmt85     -86.2   -30.1  Favored  13  11  0.91  14  0.95  molprobity     1  True   
545  545  mp        -74.3   -56.3  Favored  11   8  0.36  11  0.68  molprobity     1  True   
546  546  m         -56.4   -22.6  Favored   5   6  0.36   8  0.59  molprobity     1  True   
547  547  mt-10     -93.1   -30.0  Favored   6   9  1.27  12  0.89  molprobity     1  True   
548  548  ?         -64.9   -22.1  Favored   3   4  0.57   5  0.78  molprobity     1  True   
549  549  pp        -96.5   -28.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
550  550  ?         -80.2   -70.9  Allowed   5   5  0.34   7  0.88  molprobity     1  True   
551  551  mp        -41.6   -43.4  Allowed  11   8  0.36  11  0.68  molprobity     1  True   
552  552  ?         -62.2   -47.9  Favored   5   5  0.33   7  0.87  molprobity     1  True   
553  553  mm        -56.6   -74.5  OUTLIER  11   8  0.35  11  0.68  molprobity     1  True   
554  554  pt20      -41.3   -28.3  Allowed   8   9  0.46  12  0.65  molprobity     1  True   
555  555  ?          91.2    12.8  Favored   3   4  0.53   5  0.64  molprobity     1  True   
556  556  ?          43.5    74.9  Allowed   3   4  0.76   6  0.98  molprobity     1  True   
557  557  Cg_endo   -75.0   104.8  Allowed   7   8  0.57  11  0.78  molprobity     ?  False  
558  558  ttp85         ?       ?  ?        13  10  0.95  11  0.95  molprobity     ?  False  
559  559  t             ?       ?  ?         7   6  0.36   8  0.59  molprobity     ?  False  
560  560  OUTLIER   -59.1   -27.5  Favored  10  16  1.10  23  1.59  molprobity     ?  False  
561  561  tp        -80.1   -25.8  Favored  11   8  0.33  11  0.76  molprobity     ?  False  
562  562  t         -95.8    -8.3  Favored   5   6  0.36   8  0.59  molprobity     1  True   
563  563  OUTLIER   -80.2   -28.2  Favored  13   9  0.41  11  0.80  molprobity     1  True   
564  564  p         -90.0   -18.3  Favored   7   7  0.25  10  1.28  molprobity     1  True   
565  565  ?         -72.7   -27.1  Favored   5   5  0.35   7  0.87  molprobity     1  True   
566  566  tppp?     -70.5   -28.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
567  567  mttm      -76.9   -15.9  Favored  13   9  0.40  11  0.80  molprobity     1  True   
568  568  mt        -87.8   -23.8  Favored  11   8  0.33  11  0.77  molprobity     1  True   
569  569  pt-20     -98.9   -17.6  Favored   6   9  1.27  12  0.94  molprobity     1  True   
570  570  OUTLIER   -67.7   -66.8  Allowed   6   8  0.51  11  0.84  molprobity     1  True   
571  571  m         -58.2   -17.0  Favored   5   6  0.36   8  0.58  molprobity     1  True   
572  572  ?         -63.9   -13.1  Favored   5   5  0.33   7  0.86  molprobity     1  True   
573  573  OUTLIER   -66.1   -15.7  Favored  13   9  0.40  11  0.80  molprobity     1  True   
574  574  OUTLIER   -90.8   -20.3  Favored  13   9  0.41  11  0.80  molprobity     1  True   
575  575  mmm-85    -87.3   -25.6  Favored  13  11  0.91  14  0.95  molprobity     1  True   
576  576  mp        -82.8   -20.9  Favored  11   8  0.36  11  0.68  molprobity     1  True   
577  577  t         -96.5   -14.3  Favored   5   6  0.36   8  0.58  molprobity     1  True   
578  578  mm-40     -92.8   -45.0  Favored   6   9  1.29  12  0.90  molprobity     1  True   
579  579  ?         -50.8   -25.2  Favored   3   4  0.57   5  0.80  molprobity     1  True   
580  580  pp        -96.4   -30.2  Favored  11   8  0.36  11  0.68  molprobity     1  True   
581  581  ?         -72.9   -67.0  Allowed   5   5  0.34   7  0.87  molprobity     1  True   
582  582  mp        -42.7   -45.6  Allowed  11   8  0.36  11  0.68  molprobity     1  True   
583  583  ?         -62.6   -46.9  Favored   5   5  0.35   7  0.88  molprobity     1  True   
584  584  mm        -56.5   -74.5  OUTLIER  11   8  0.36  11  0.68  molprobity     1  True   
585  585  OUTLIER   -41.3   -28.4  Allowed   8   9  0.47  12  0.64  molprobity     1  True   
586  586  ?         113.4   -24.8  Favored   3   4  0.51   5  0.64  molprobity     1  True   
587  587  ?          63.7    77.3  Allowed   3   4  0.77   6  0.99  molprobity     1  True   
588  588  Cg_endo   -75.0  -162.2  Allowed   7   8  0.58  11  0.78  molprobity     ?  False  
589  589  mmp_?         ?       ?  ?        13  10  0.96  11  0.98  molprobity     ?  False  
590  590  m             ?       ?  ?         7   6  0.35   8  0.60  molprobity     ?  False  
591  591  OUTLIER   -67.7   -29.1  Favored  10  16  1.09  23  1.58  molprobity     ?  False  
592  592  tp        -86.7   -21.2  Favored  11   8  0.34  11  0.77  molprobity     ?  False  
593  593  t         -89.4   -16.0  Favored   5   6  0.36   8  0.60  molprobity     1  True   
594  594  OUTLIER   -47.9   -74.6  OUTLIER  13   9  0.40  11  0.81  molprobity     1  True   
595  595  p         -62.7   -26.0  Favored   7   7  0.27  10  1.28  molprobity     1  True   
596  596  ?         -70.0   -17.6  Favored   5   5  0.34   7  0.87  molprobity     1  True   
597  597  tmmm?     -63.2   -21.0  Favored  13   9  0.39  11  0.80  molprobity     1  True   
598  598  ptmt      -83.4   -18.0  Favored  13   9  0.41  11  0.81  molprobity     1  True   
599  599  mt        -81.8   -31.9  Favored  11   8  0.32  11  0.77  molprobity     1  True   
600  600  pt-20     -80.3   -28.4  Favored   6   9  1.28  12  0.94  molprobity     1  True   
601  601  OUTLIER   -51.4   -48.5  Favored   6   8  0.48  11  0.83  molprobity     1  True   
602  602  OUTLIER   -54.2   -26.0  Favored   5   6  0.36   8  0.59  molprobity     1  True   
603  603  ?         -83.4   -24.9  Favored   5   5  0.33   7  0.88  molprobity     1  True   
604  604  OUTLIER   -50.3   -32.2  Favored  13   9  0.40  11  0.81  molprobity     1  True   
605  605  mmtm      -69.4   -34.4  Favored  13   9  0.40  11  0.80  molprobity     1  True   
606  606  OUTLIER   -75.8   -25.1  Favored  13  11  0.92  14  0.97  molprobity     1  True   
607  607  mp        -75.7   -31.9  Favored  11   8  0.35  11  0.68  molprobity     1  True   
608  608  m         -90.2   -17.9  Favored   5   6  0.37   8  0.58  molprobity     1  True   
609  609  mt-10     -91.0   -33.7  Favored   6   9  1.28  12  0.89  molprobity     1  True   
610  610  ?         -59.0   -22.5  Favored   3   4  0.56   5  0.78  molprobity     1  True   
611  611  OUTLIER   -99.2   -41.7  Favored  11   8  0.35  11  0.68  molprobity     1  True   
612  612  ?         -63.1   -67.9  Allowed   5   5  0.33   7  0.86  molprobity     1  True   
613  613  mp        -44.9   -39.8  Allowed  11   8  0.35  11  0.68  molprobity     1  True   
614  614  ?         -63.2   -48.5  Favored   5   5  0.35   7  0.86  molprobity     1  True   
615  615  mt        -59.1   -70.8  Allowed  11   8  0.36  11  0.67  molprobity     1  True   
616  616  pt20      -48.1   -29.9  Favored   8   9  0.46  12  0.64  molprobity     1  True   
617  617  ?         116.5   -66.0  Allowed   3   4  0.54   5  0.66  molprobity     1  True   
618  618  ?         116.4    89.7  Allowed   3   4  0.77   6  0.99  molprobity     1  True   
619  619  Cg_endo   -75.0  -162.2  Allowed   7   8  0.59  11  0.78  molprobity     ?  False  
620  620  mtt85         ?       ?  ?        13  10  0.94  11  1.00  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    1  O       1  0.43  2.50  
  2    3  HD12    2  0.46  2.11  
  3    3  O       2  0.46  2.11  
  4    5  N       1  0.43  2.50  
  5    5  HG3     3  0.41  1.91  
  6    6  HG23    3  0.41  1.91  
  7    8  O       4  0.43  2.51  
  8   12  ND2     4  0.43  2.51  
  9   17  N       5  0.46  2.78  
 10   17  CD      5  0.46  2.78  
 11   22  HD12    6  0.51  2.26  
 12   22  C       6  0.51  2.26  
 13   24  HD12    7  0.41  2.31  
 14   24  N       7  0.41  2.31  
 15   32  O       8  0.43  2.52  
 16   36  N       8  0.43  2.52  
 17   45  O       9  0.46  2.64  
 18   45  O      10  0.43  2.13  
 19   49  CD1     9  0.46  2.64  
 20   49  HD12   10  0.43  2.13  
 21   51  OE1    11  0.48  2.62  
 22   52  O      12  0.44  2.66  
 23   53  O      13  0.44  2.66  
 24   53  C      14  0.40  2.36  
 25   53  HD12   14  0.40  2.36  
 26   55  CD1    11  0.48  2.62  
 27   55  O      15  0.41  2.54  
 28   56  CB     12  0.44  2.66  
 29   57  CG1    13  0.44  2.66  
 30   59  N      15  0.41  2.54  
 31   63  O      16  0.44  2.50  
 32   65  O      17  0.40  2.16  
 33   65  HD12   17  0.40  2.16  
 34   67  N      16  0.44  2.50  
 35   70  HZ2    18  0.49  1.68  
 36   70  HA     18  0.49  1.68  
 37   70  NZ     19  0.45  2.70  
 38   73  CD     19  0.45  2.70  
 39   76  O      20  0.46  2.11  
 40   76  O      21  0.45  2.65  
 41   80  HD12   20  0.46  2.11  
 42   80  CD1    21  0.45  2.65  
 43   84  HD12   22  0.56  2.20  
 44   84  C      22  0.56  2.20  
 45   84  O      23  0.41  2.68  
 46   86  O      24  0.44  2.50  
 47   86  HD12   25  0.42  2.30  
 48   86  N      25  0.42  2.30  
 49   88  CG1    23  0.41  2.68  
 50   90  N      24  0.44  2.50  
 51   94  O      26  0.44  2.50  
 52   96  HD12   27  0.50  2.06  
 53   96  O      27  0.50  2.06  
 54   98  HG3    28  0.52  1.80  
 55   98  N      26  0.44  2.50  
 56   99  HG23   28  0.52  1.80  
 57  115  HD12   29  0.45  2.32  
 58  115  C      29  0.45  2.32  
 59  117  O      30  0.45  2.50  
 60  117  HD12   31  0.41  2.31  
 61  117  N      31  0.41  2.31  
 62  121  N      30  0.45  2.50  
 63  126  O      32  0.57  2.00  
 64  130  HG23   32  0.57  2.00  
 65  132  O      33  0.45  2.50  
 66  135  HA     34  0.44  1.88  
 67  136  ND2    33  0.45  2.50  
 68  138  O      35  0.51  2.04  
 69  138  O      36  0.41  2.69  
 70  138  C      37  0.50  2.27  
 71  138  HB3    34  0.44  1.88  
 72  139  NZ     38  0.48  2.75  
 73  139  CB     38  0.48  2.75  
 74  141  N      39  0.45  2.79  
 75  141  CD     39  0.45  2.79  
 76  142  HD12   35  0.51  2.04  
 77  142  HD12   37  0.50  2.27  
 78  142  CD1    36  0.41  2.69  
 79  144  OE1    40  0.41  2.67  
 80  146  O      41  0.44  2.66  
 81  146  HD12   42  0.41  2.35  
 82  146  C      42  0.41  2.35  
 83  148  O      43  0.44  2.51  
 84  148  HD12   44  0.42  2.29  
 85  148  N      44  0.42  2.29  
 86  148  CD1    40  0.41  2.67  
 87  150  CG1    41  0.44  2.66  
 88  152  N      43  0.44  2.51  
 89  158  C      45  0.50  2.80  
 90  158  C      46  0.43  2.33  
 91  158  CD1    45  0.50  2.80  
 92  158  CD1    47  0.45  2.65  
 93  158  O      47  0.45  2.65  
 94  158  O      48  0.40  2.16  
 95  158  HD12   46  0.43  2.33  
 96  158  HD12   48  0.40  2.16  
 97  160  HG3    49  0.46  1.86  
 98  161  HG23   49  0.46  1.86  
 99  163  O      50  0.43  2.51  
100  165  N      51  0.46  2.26  
101  165  HD23   51  0.46  2.26  
102  167  ND2    50  0.43  2.51  
103  172  O      52  0.42  2.53  
104  175  OE1    53  0.41  2.68  
105  176  N      52  0.42  2.53  
106  177  HD12   54  0.60  2.15  
107  177  HD12   55  0.52  2.19  
108  177  C      54  0.60  2.15  
109  177  C      56  0.41  2.88  
110  177  CD1    56  0.41  2.88  
111  178  N      55  0.52  2.19  
112  179  CD1    53  0.41  2.68  
113  179  HD12   57  0.41  2.31  
114  179  N      57  0.41  2.31  
115  200  O      58  0.42  2.67  
116  204  CD1    58  0.42  2.67  
117  208  HD12   59  0.66  2.11  
118  208  HD12   60  0.60  2.11  
119  208  C      59  0.66  2.11  
120  209  N      60  0.60  2.11  
121  218  O      61  0.45  2.50  
122  219  O      62  0.44  2.66  
123  220  HD23   63  0.69  2.08  
124  220  C      63  0.69  2.08  
125  220  C      64  0.49  2.80  
126  220  CD2    64  0.49  2.80  
127  222  N      61  0.45  2.50  
128  222  CG     62  0.44  2.66  
129  225  O      65  0.41  2.52  
130  225  C      66  0.40  2.18  
131  225  HZ3    66  0.40  2.18  
132  229  ND2    65  0.41  2.52  
133  239  HD12   67  0.58  2.18  
134  239  HD12   68  0.48  2.23  
135  239  C      67  0.58  2.18  
136  240  N      68  0.48  2.23  
137  241  O      69  0.43  2.52  
138  245  N      69  0.43  2.52  
139  249  O      70  0.44  2.50  
140  250  O      71  0.43  2.66  
141  251  HD23   72  0.69  2.08  
142  251  C      72  0.69  2.08  
143  251  C      73  0.50  2.80  
144  251  CD2    73  0.50  2.80  
145  253  HG3    74  0.47  1.85  
146  253  N      70  0.44  2.50  
147  253  CG     71  0.43  2.66  
148  254  HG23   74  0.47  1.85  
149  256  O      75  0.43  2.51  
150  260  ND2    75  0.43  2.51  
151  262  O      76  0.45  2.64  
152  262  O      77  0.45  2.11  
153  266  CD1    76  0.45  2.64  
154  266  HD12   77  0.45  2.11  
155  270  HD12   78  0.57  2.20  
156  270  C      78  0.57  2.20  
157  272  O      79  0.43  2.52  
158  276  N      79  0.43  2.52  
159  278  C      80  0.45  2.85  
160  278  O      81  0.40  2.60  
161  279  CG     80  0.45  2.85  
162  279  C      81  0.40  2.60  
163  280  O      82  0.45  2.50  
164  282  HD12   83  0.77  1.77  
165  282  O      83  0.77  1.77  
166  284  N      82  0.45  2.50  
167  293  O      84  0.46  2.64  
168  293  O      85  0.42  2.15  
169  297  CD1    84  0.46  2.64  
170  297  HD13   85  0.42  2.15  
171  301  HD12   86  0.47  2.30  
172  301  C      86  0.47  2.30  
173  318  O      87  0.44  2.50  
174  321  O      88  0.43  2.52  
175  322  ND2    87  0.44  2.50  
176  324  O      89  0.45  2.65  
177  324  N      88  0.43  2.52  
178  328  CD1    89  0.45  2.65  
179  332  HD12   90  0.61  2.16  
180  332  C      90  0.61  2.16  
181  334  HD12   91  0.40  2.31  
182  334  N      91  0.40  2.31  
183  344  C      92  0.50  2.80  
184  344  C      93  0.43  2.33  
185  344  CD1    92  0.50  2.80  
186  344  CD1    94  0.45  2.65  
187  344  O      94  0.45  2.65  
188  344  O      95  0.40  2.17  
189  344  HD12   93  0.43  2.33  
190  344  HD12   95  0.40  2.17  
191  346  HG3    96  0.47  1.86  
192  347  HG23   96  0.47  1.86  
193  349  O      97  0.41  2.54  
194  353  O      98  0.41  2.69  
195  353  ND2    97  0.41  2.54  
196  356  HA     99  0.65  1.68  
197  356  CE     98  0.41  2.69  
198  357  O     100  0.49  2.61  
199  359  HD12   99  0.65  1.68  
200  361  CG    100  0.49  2.61  
201  363  HD12  101  0.54  2.24  
202  363  C     101  0.54  2.24  
203  365  HD12  102  0.42  2.30  
204  365  N     102  0.42  2.30  
205  373  O     103  0.45  2.50  
206  377  N     103  0.45  2.50  
207  383  O     104  0.45  2.50  
208  383  O     105  0.44  2.12  
209  383  O     106  0.43  2.52  
210  386  HB3   105  0.44  2.12  
211  386  N     106  0.43  2.52  
212  387  N     104  0.45  2.50  
213  394  HD12  107  0.60  2.16  
214  394  C     107  0.60  2.16  
215  396  N     108  0.41  2.31  
216  396  HD12  108  0.41  2.31  
217  406  HD12  109  0.85  1.72  
218  406  O     109  0.85  1.72  
219  417  O     110  0.73  1.84  
220  417  O     111  0.43  2.64  
221  417  HB3   112  0.45  1.72  
222  417  HB3   113  0.42  2.29  
223  418  NZ    114  0.49  2.59  
224  418  NZ    113  0.42  2.29  
225  418  N     114  0.49  2.59  
226  418  N     115  0.47  2.06  
227  418  HZ2   115  0.47  2.06  
228  418  HZ3   112  0.45  1.72  
229  419  O     116  0.40  2.40  
230  421  HD12  110  0.73  1.84  
231  421  CD1   111  0.43  2.64  
232  423  HA    117  0.45  1.87  
233  423  N     118  0.45  2.50  
234  423  N     119  0.43  2.71  
235  423  OE1   118  0.45  2.50  
236  423  OE1   120  0.42  2.67  
237  423  CD    119  0.43  2.71  
238  423  CA    120  0.42  2.67  
239  423  OE2   116  0.40  2.40  
240  425  HD12  121  0.65  2.12  
241  425  C     121  0.65  2.12  
242  425  C     122  0.42  2.83  
243  425  CD1   122  0.42  2.83  
244  426  HB3   117  0.45  1.87  
245  427  HD12  123  0.42  2.30  
246  427  N     123  0.42  2.30  
247  442  O     124  0.42  2.52  
248  446  ND2   124  0.42  2.52  
249  449  HA    125  0.56  1.76  
250  452  HD12  125  0.56  1.76  
251  457  O     126  0.43  2.51  
252  460  N     126  0.43  2.51  
253  460  C     127  0.43  2.72  
254  460  HG22  128  0.40  2.31  
255  461  N     128  0.40  2.31  
256  462  N     127  0.43  2.72  
257  469  HA    129  0.54  1.79  
258  472  HB3   129  0.54  1.79  
259  473  O     130  0.41  2.54  
260  477  ND2   130  0.41  2.54  
261  479  O     131  0.53  2.04  
262  479  O     132  0.43  2.65  
263  482  N     133  0.45  2.79  
264  482  CD    133  0.45  2.79  
265  483  HD12  131  0.53  2.04  
266  483  CD1   132  0.43  2.65  
267  485  OE1   134  0.44  2.65  
268  488  O     135  0.42  2.53  
269  489  CD1   134  0.44  2.65  
270  491  N     135  0.42  2.53  
271  497  O     136  0.45  2.50  
272  498  O     137  0.41  2.69  
273  499  HD23  138  0.69  2.08  
274  499  C     138  0.69  2.08  
275  499  C     139  0.48  2.80  
276  499  CD2   139  0.48  2.80  
277  501  N     136  0.45  2.50  
278  501  CG    137  0.41  2.69  
279  504  O     140  0.42  2.51  
280  508  ND2   140  0.42  2.51  
281  510  O     141  0.41  2.69  
282  514  CD1   141  0.41  2.69  
283  518  HD12  142  0.60  2.16  
284  518  C     142  0.60  2.16  
285  530  HD13  143  0.91  1.80  
286  530  O     144  0.70  1.85  
287  530  HD22  144  0.70  1.85  
288  530  HD22  145  0.69  2.08  
289  530  C     145  0.69  2.08  
290  530  C     146  0.49  2.80  
291  530  CD2   146  0.49  2.80  
292  531  N     143  0.91  1.80  
293  535  O     147  0.40  2.54  
294  539  ND2   147  0.40  2.54  
295  541  O     148  0.42  2.67  
296  541  O     149  0.42  2.15  
297  545  CD1   148  0.42  2.67  
298  545  HD12  149  0.42  2.15  
299  549  HD12  150  0.56  2.20  
300  549  HD12  151  0.46  2.26  
301  549  C     150  0.56  2.20  
302  549  O     152  0.46  2.64  
303  550  N     151  0.46  2.26  
304  550  O     153  0.43  2.51  
305  553  CG1   152  0.46  2.64  
306  553  N     153  0.43  2.51  
307  553  HG22  154  0.41  2.30  
308  553  C     155  0.41  2.72  
309  554  N     154  0.41  2.30  
310  555  N     155  0.41  2.72  
311  559  O     156  0.44  2.51  
312  563  N     156  0.44  2.51  
313  572  O     157  0.45  2.64  
314  572  O     158  0.41  2.14  
315  576  CD1   157  0.45  2.64  
316  576  HD13  158  0.41  2.14  
317  580  HD12  159  0.53  2.24  
318  580  HD12  160  0.41  2.31  
319  580  C     159  0.53  2.24  
320  580  O     161  0.43  2.66  
321  581  N     160  0.41  2.31  
322  584  CG1   161  0.43  2.66  
323  584  HG22  162  0.41  2.31  
324  584  C     163  0.41  2.72  
325  584  O     164  0.40  2.55  
326  585  N     162  0.41  2.31  
327  586  N     163  0.41  2.72  
328  586  N     164  0.40  2.55  
329  591  CD1   165  0.62  2.67  
330  592  HD12  166  0.64  1.93  
331  592  O     166  0.64  1.93  
332  593  HA    167  0.56  1.77  
333  594  NZ    165  0.62  2.67  
334  596  HB3   167  0.56  1.77  
335  597  O     168  0.43  2.51  
336  601  ND2   168  0.43  2.51  
337  601  O     169  0.43  2.67  
338  603  O     170  0.56  2.00  
339  603  O     171  0.44  2.65  
340  603  O     172  0.41  2.52  
341  604  CG    169  0.43  2.67  
342  606  N     173  0.50  2.74  
343  606  N     172  0.41  2.52  
344  606  CD    173  0.50  2.74  
345  607  HD12  170  0.56  2.00  
346  607  CD1   171  0.44  2.65  
347  611  HD12  174  0.67  2.09  
348  611  HD12  175  0.43  2.29  
349  611  C     174  0.67  2.09  
350  611  C     176  0.45  2.81  
351  611  CD1   176  0.45  2.81  
352  612  N     175  0.43  2.29  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  outlier  ?     
 3  1        ?     
 4  3        True  
 5  1        ?     
 6  1        ?     
 7  1        True  
 8  1        ?     
 9  1        ?     
10  2        True  
11  1        ?     
12  2        ?     
13  1        ?     
14  3        ?     
15  2        ?     
16  1        ?     
17  3        ?     
18  1        ?     
19  2        ?     
20  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  26
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.700
_pdbx_vrpt_cyrange_domain.medoid_model        8
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.775
_pdbx_vrpt_cyrange_domain.residue_string      A:4-A:29
#
_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           360
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           360
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            360
_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  SER   1  0.023  
 2  A  TRP   2  0.024  
 3  A  LEU   3  0.023  
 4  A  SER   4  0.021  
 5  A  LYS   5  0.018  
 6  A  THR   6  0.015  
 7  A  ALA   7  0.018  
 8  A  LYS   8  0.022  
 9  A  LYS   9  0.025  
10  A  LEU  10  0.025  
11  A  GLU  11  0.022  
12  A  ASN  12  0.023  
13  A  SER  13  0.023  
14  A  ALA  14  0.023  
15  A  LYS  15  0.022  
16  A  LYS  16  0.024  
17  A  ARG  17  0.025  
18  A  ILE  18  0.023  
19  A  SER  19  0.024  
20  A  GLU  20  0.027  
21  A  GLY  21  0.030  
22  A  ILE  22  0.030  
23  A  ALA  23  0.031  
24  A  ILE  24  0.038  
25  A  ALA  25  0.050  
26  A  ILE  26  0.079  
27  A  GLN  27  0.110  
28  A  GLY  28  0.159  
29  A  GLY  29  0.222  
30  A  PRO  30  0.280  
31  A  ARG  31  0.314  
#
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   4  
2  CA  0.50  0.14  -0.45  31  
3  CB  0.50  0.06   0.07  28  
4  N   0.50  0.38   0.30  29  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0   1    1  stereomethyl  stereomethyl  
 2  302  41  343  overall       Total         
 3  108  25  133  backbone      Total         
 4  194  16  210  sidechain     Total         
 5  187   4  191  overall       H             
 6   55   0   55  backbone      H             
 7  132   4  136  sidechain     H             
 8   86  30  116  overall       C             
 9   27  25   52  backbone      C             
10   59   5   64  sidechain     C             
11   29   7   36  overall       N             
12   26   0   26  backbone      N             
13    3   7   10  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   2    2  stereomethyl  stereomethyl  
 2  360  64  424  overall       Total         
 3  127  29  156  backbone      Total         
 4  231  25  256  sidechain     Total         
 5    2  10   12  aromatic      Total         
 6  221  15  236  overall       H             
 7   63   1   64  backbone      H             
 8  157   9  166  sidechain     H             
 9    1   5    6  aromatic      H             
10  106  38  144  overall       C             
11   35  27   62  backbone      C             
12   71   6   77  sidechain     C             
13    0   5    5  aromatic      C             
14   33  11   44  overall       N             
15   29   1   30  backbone      N             
16    3  10   13  sidechain     N             
17    1   0    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     444  
 2  "Intra-residue (|i-j|=0)"                       140  
 3  "Sequential (|i-j|=1)"                          128  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            172  
 5  "Long range (|i-j|>=5)"                           4  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             14.3  
12  "Number of long range restraints per residue"   0.1  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 140   31.5  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      3    0.7  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain   117   26.4  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   20    4.5  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 128   28.8  1  0.2  0.8  1  0.2  0.8  
 6  Sequential     BackboneBackbone     28    6.3  1  0.2  3.6  1  0.2  3.6  
 7  Sequential     BackboneSidechain    82   18.5  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   18    4.1  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                 172   38.7  2  0.5  1.2  3  0.7  1.7  
10  MediumRange    BackboneBackbone     39    8.8  0  0.0  0.0  1  0.2  2.6  
11  MediumRange    BackboneSidechain    89   20.0  2  0.5  2.2  2  0.5  2.2  
12  MediumRange    SidechainSidechain   44    9.9  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                   4    0.9  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     3    0.7  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    1    0.2  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 444  100.0  3  0.7  0.7  4  0.9  0.9  
24  Total          BackboneBackbone     70   15.8  1  0.2  1.4  2  0.5  2.9  
25  Total          BackboneSidechain   291   65.5  2  0.5  0.7  2  0.5  0.7  
26  Total          SidechainSidechain   83   18.7  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  0.84  0.52  0.50  0.26  
 2   2  0.70  0.44  0.40  0.20  
 3   3  0.81  0.50  0.47  0.25  
 4   4  0.54  0.31  0.23  0.16  
 5   5  0.73  0.45  0.42  0.21  
 6   6  0.74  0.45  0.42  0.22  
 7   7  0.71  0.44  0.40  0.21  
 8   8  0.66  0.41  0.39  0.19  
 9   9  0.93  0.59  0.60  0.29  
10  10  0.74  0.45  0.42  0.22  
11  11  0.60  0.36  0.29  0.18  
12  12  0.66  0.41  0.38  0.19  
13  13  0.61  0.36  0.30  0.18  
14  14  0.94  0.60  0.60  0.28  
15  15  0.62  0.40  0.40  0.18  
16  16  0.80  0.51  0.54  0.25  
17  17  0.61  0.37  0.30  0.18  
18  18  0.53  0.35  0.34  0.14  
19  19  0.59  0.31  0.24  0.17  
20  20  0.63  0.40  0.40  0.18  
#
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    1  
  3   1  medium        2  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         3  
  7   2  intraresidue  0  
  8   2  sequential    1  
  9   2  medium        2  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         3  
 13   3  intraresidue  0  
 14   3  sequential    1  
 15   3  medium        2  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         3  
 19   4  intraresidue  0  
 20   4  sequential    1  
 21   4  medium        2  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         3  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        2  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         3  
 31   6  intraresidue  0  
 32   6  sequential    1  
 33   6  medium        2  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         3  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        2  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         3  
 43   8  intraresidue  0  
 44   8  sequential    1  
 45   8  medium        2  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         3  
 49   9  intraresidue  0  
 50   9  sequential    1  
 51   9  medium        2  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         3  
 55  10  intraresidue  0  
 56  10  sequential    1  
 57  10  medium        2  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         3  
 61  11  intraresidue  0  
 62  11  sequential    1  
 63  11  medium        2  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         3  
 67  12  intraresidue  0  
 68  12  sequential    1  
 69  12  medium        2  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         3  
 73  13  intraresidue  0  
 74  13  sequential    1  
 75  13  medium        2  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         3  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        2  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         3  
 85  15  intraresidue  0  
 86  15  sequential    1  
 87  15  medium        2  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         3  
 91  16  intraresidue  0  
 92  16  sequential    1  
 93  16  medium        2  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         3  
 97  17  intraresidue  0  
 98  17  sequential    1  
 99  17  medium        2  
100  17  long          0  
101  17  interchain    0  
102  17  total         3  
103  18  intraresidue  0  
104  18  sequential    1  
105  18  medium        2  
106  18  long          0  
107  18  interchain    0  
108  18  total         3  
109  19  intraresidue  0  
110  19  sequential    1  
111  19  medium        3  
112  19  long          0  
113  19  interchain    0  
114  19  total         4  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        2  
118  20  long          0  
119  20  interchain    0  
120  20  total         3  
#
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        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  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    1  
117  20  medium        2  
118  20  long          0  
119  20  interchain    0  
120  20  total         3  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  0.8  
2  0.2-0.5  0.5  1.1  
3  >0.5     0.9  1.1  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1  138  1  .  A  21  GLY  ?     1  A  21  HA3  A  .  24  ILE  24  A  1  ?     HG21  20  0.70  0.68  0.11  
2  138  1  .  A  21  GLY  ?     1  A  21  HA3  A  .  24  ILE  24  A  1  ?     HG22  20  0.70  0.68  0.11  
3  138  1  .  A  21  GLY  ?     1  A  21  HA3  A  .  24  ILE  24  A  1  ?     HG23  20  0.70  0.68  0.11  
4  136  1  .  A  21  GLY  ?     1  A  21  HA3  A  .  24  ILE  24  A  1  ?     HB    20  0.40  0.40  0.10  
5  318  1  .  A  21  GLY  ?     1  A  21  HA2  A  .  22  ILE  22  A  1  ?     H     20  0.20  0.20  0.02  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1  138  1  424  427  HA3  HG21  0.94  
  2  138  1  424  427  HA3  HG22  0.94  
  3  138  1  424  427  HA3  HG23  0.94  
  4  138  1  269  272  HA3  HG21  0.93  
  5  138  1  269  272  HA3  HG22  0.93  
  6  138  1  269  272  HA3  HG23  0.93  
  7  138  1   21   24  HA3  HG21  0.84  
  8  138  1   21   24  HA3  HG22  0.84  
  9  138  1   21   24  HA3  HG23  0.84  
 10  138  1   83   86  HA3  HG21  0.81  
 11  138  1   83   86  HA3  HG22  0.81  
 12  138  1   83   86  HA3  HG23  0.81  
 13  138  1  486  489  HA3  HG21  0.80  
 14  138  1  486  489  HA3  HG22  0.80  
 15  138  1  486  489  HA3  HG23  0.80  
 16  138  1  176  179  HA3  HG21  0.74  
 17  138  1  176  179  HA3  HG22  0.74  
 18  138  1  176  179  HA3  HG23  0.74  
 19  138  1  300  303  HA3  HG21  0.74  
 20  138  1  300  303  HA3  HG22  0.74  
 21  138  1  300  303  HA3  HG23  0.74  
 22  138  1  145  148  HA3  HG21  0.73  
 23  138  1  145  148  HA3  HG22  0.73  
 24  138  1  145  148  HA3  HG23  0.73  
 25  138  1  207  210  HA3  HG21  0.71  
 26  138  1  207  210  HA3  HG22  0.71  
 27  138  1  207  210  HA3  HG23  0.71  
 28  138  1   52   55  HA3  HG21  0.70  
 29  138  1   52   55  HA3  HG22  0.70  
 30  138  1   52   55  HA3  HG23  0.70  
 31  138  1  238  241  HA3  HG21  0.66  
 32  138  1  238  241  HA3  HG22  0.66  
 33  138  1  238  241  HA3  HG23  0.66  
 34  138  1  362  365  HA3  HG21  0.66  
 35  138  1  362  365  HA3  HG22  0.66  
 36  138  1  362  365  HA3  HG23  0.66  
 37  138  1  610  613  HA3  HG21  0.63  
 38  138  1  610  613  HA3  HG22  0.63  
 39  138  1  610  613  HA3  HG23  0.63  
 40  138  1  455  458  HA3  HG21  0.62  
 41  138  1  455  458  HA3  HG22  0.62  
 42  138  1  455  458  HA3  HG23  0.62  
 43  138  1  393  396  HA3  HG21  0.61  
 44  138  1  393  396  HA3  HG22  0.61  
 45  138  1  393  396  HA3  HG23  0.61  
 46  138  1  517  520  HA3  HG21  0.61  
 47  138  1  517  520  HA3  HG22  0.61  
 48  138  1  517  520  HA3  HG23  0.61  
 49  138  1  331  334  HA3  HG21  0.60  
 50  138  1  331  334  HA3  HG22  0.60  
 51  138  1  331  334  HA3  HG23  0.60  
 52  136  1  269  272  HA3  HB    0.60  
 53  136  1  424  427  HA3  HB    0.60  
 54  138  1  579  582  HA3  HG21  0.59  
 55  138  1  579  582  HA3  HG22  0.59  
 56  138  1  579  582  HA3  HG23  0.59  
 57  138  1  114  117  HA3  HG21  0.54  
 58  138  1  114  117  HA3  HG22  0.54  
 59  138  1  114  117  HA3  HG23  0.54  
 60  136  1  486  489  HA3  HB    0.54  
 61  138  1  548  551  HA3  HG21  0.53  
 62  138  1  548  551  HA3  HG22  0.53  
 63  138  1  548  551  HA3  HG23  0.53  
 64  136  1   21   24  HA3  HB    0.50  
 65  136  1   83   86  HA3  HB    0.47  
 66  136  1  145  148  HA3  HB    0.42  
 67  136  1  176  179  HA3  HB    0.42  
 68  136  1  300  303  HA3  HB    0.42  
 69  136  1   52   55  HA3  HB    0.40  
 70  136  1  207  210  HA3  HB    0.40  
 71  136  1  455  458  HA3  HB    0.40  
 72  136  1  610  613  HA3  HB    0.40  
 73  136  1  238  241  HA3  HB    0.39  
 74  136  1  362  365  HA3  HB    0.38  
 75  136  1  548  551  HA3  HB    0.34  
 76  136  1  393  396  HA3  HB    0.30  
 77  136  1  517  520  HA3  HB    0.30  
 78  136  1  331  334  HA3  HB    0.29  
 79  136  1  579  582  HA3  HB    0.29  
 80  318  1  424  425  HA2  H     0.25  
 81  318  1  269  270  HA2  H     0.23  
 82  136  1  114  117  HA3  HB    0.23  
 83  318  1   52   53  HA2  H     0.22  
 84  318  1   21   22  HA2  H     0.21  
 85  318  1   83   84  HA2  H     0.21  
 86  318  1  145  146  HA2  H     0.21  
 87  318  1  176  177  HA2  H     0.20  
 88  318  1  207  208  HA2  H     0.20  
 89  318  1  300  301  HA2  H     0.20  
 90  318  1  362  363  HA2  H     0.20  
 91  318  1  486  487  HA2  H     0.20  
 92  318  1  579  580  HA2  H     0.20  
 93  318  1  238  239  HA2  H     0.19  
 94  318  1  517  518  HA2  H     0.19  
 95  318  1  331  332  HA2  H     0.18  
 96  318  1  393  394  HA2  H     0.18  
 97  318  1  455  456  HA2  H     0.18  
 98  318  1  548  549  HA2  H     0.18  
 99  318  1  610  611  HA2  H     0.18  
100  318  1  114  115  HA2  H     0.17  
101  159  1  575  579  HA   HA2   0.17  
#
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  
##
