data_5UNK

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   5UNK   
BMRB  30239  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    5UNK
_pdbx_vrpt_summary.PDB_deposition_date         2017-01-31
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:08:32
_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  "Sleeping Beauty transposase"
#
_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   98.36  158937  ?     ?     
2  2  1   90.96   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   66.23  154315  ?     ?     
6  2  3   94.75   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    8.76  
 2  4  2  A   1  1  A    8.76  
 3  5  3  A   1  1  A   58.54  
 4  6  3  A   1  1  A   58.54  
 5  3  2  A   2  1  A    8.76  
 6  4  2  A   2  1  A    8.76  
 7  5  3  A   2  1  A  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A    9.70  
16  6  3  A   4  1  A    9.70  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A   58.54  
24  6  3  A   6  1  A   58.54  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A    8.76  
30  4  2  A   8  1  A    8.76  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A   58.54  
36  6  3  A   9  1  A   58.54  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A  100.00  
40  6  3  A  10  1  A  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.93  0.98  500  667  
 2   2  1  A  A  0.94  0.97  500  667  
 3   3  1  A  A  1.20  0.75  500  667  
 4   4  1  A  A  0.94  0.99  500  667  
 5   5  1  A  A  1.00  0.97  500  667  
 6   6  1  A  A  0.95  0.99  500  667  
 7   7  1  A  A  0.92  0.98  500  667  
 8   8  1  A  A  0.92  0.99  500  667  
 9   9  1  A  A  1.03  0.97  500  667  
10  10  1  A  A  0.93  1.00  500  667  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.50
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   1.46
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       1.40
_pdbx_vrpt_summary_geometry.clashscore                                 0.14
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.19
_pdbx_vrpt_summary_geometry.num_H_reduce                               5470
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             5000
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.96
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            6670
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.98
#
_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            5
_pdbx_vrpt_summary_nmr.medoid_model                             1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              73.41
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  68.78
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  ALA  A   1  .  ?        ?     ?  
  2   1  1  A   2  SER  A   2  .  ?        ?     ?  
  3   1  1  A   3  MET  A   3  .  ?        ?     ?  
  4   1  1  A   4  VAL  A   4  .  ?        ?     ?  
  5   1  1  A   5  LEU  A   5  .  ?        ?     ?  
  6   1  1  A   6  SER  A   6  .  ?        ?     ?  
  7   1  1  A   7  PRO  A   7  .  ?        ?     ?  
  8   1  1  A   8  ARG  A   8  .  ?        ?     ?  
  9   1  1  A   9  ASP  A   9  .  ?        ?     ?  
 10   1  1  A  10  GLU  A  10  .  ?        ?     ?  
 11   1  1  A  11  ARG  A  11  .  ?        ?     ?  
 12   1  1  A  12  THR  A  12  .  ?        ?     ?  
 13   1  1  A  13  LEU  A  13  .  ?        ?     ?  
 14   1  1  A  14  VAL  A  14  .  ?        ?     ?  
 15   1  1  A  15  ARG  A  15  .  ?        ?     ?  
 16   1  1  A  16  LYS  A  16  .  ?        ?     ?  
 17   1  1  A  17  VAL  A  17  .  ?        ?     ?  
 18   1  1  A  18  GLN  A  18  .  ?        ?     ?  
 19   1  1  A  19  ILE  A  19  .  ?        ?     ?  
 20   1  1  A  20  ASN  A  20  .  ?        ?     ?  
 21   1  1  A  21  PRO  A  21  .  ?        ?     ?  
 22   1  1  A  22  ARG  A  22  .  ?        ?     ?  
 23   1  1  A  23  THR  A  23  .  ?        ?     ?  
 24   1  1  A  24  THR  A  24  .  ?        ?     ?  
 25   1  1  A  25  ALA  A  25  .  ?        ?     ?  
 26   1  1  A  26  LYS  A  26  .  ?        ?     ?  
 27   1  1  A  27  ASP  A  27  .  ?        ?     ?  
 28   1  1  A  28  LEU  A  28  .  ?        ?     ?  
 29   1  1  A  29  VAL  A  29  .  ?        ?     ?  
 30   1  1  A  30  LYS  A  30  .  ?        ?     ?  
 31   1  1  A  31  MET  A  31  .  ?        ?     ?  
 32   1  1  A  32  LEU  A  32  .  ?        ?     ?  
 33   1  1  A  33  GLU  A  33  .  ?        ?     ?  
 34   1  1  A  34  GLU  A  34  .  ?        ?     ?  
 35   1  1  A  35  THR  A  35  .  ?        ?     ?  
 36   1  1  A  36  GLY  A  36  .  ?        ?     ?  
 37   1  1  A  37  THR  A  37  .  ?        ?     ?  
 38   1  1  A  38  LYS  A  38  .  ?        ?     ?  
 39   1  1  A  39  VAL  A  39  .  ?        ?     ?  
 40   1  1  A  40  SER  A  40  .  ?        ?     ?  
 41   1  1  A  41  ILE  A  41  .  ?        ?     ?  
 42   1  1  A  42  SER  A  42  .  ?        ?     ?  
 43   1  1  A  43  THR  A  43  .  ?        ?     ?  
 44   1  1  A  44  VAL  A  44  .  ?        ?     ?  
 45   1  1  A  45  LYS  A  45  .  ?        ?     ?  
 46   1  1  A  46  ARG  A  46  .  ?        ?     ?  
 47   1  1  A  47  VAL  A  47  .  ?        ?     ?  
 48   1  1  A  48  LEU  A  48  .  ?        ?     ?  
 49   1  1  A  49  TYR  A  49  .  ?        ?     ?  
 50   1  1  A  50  ARG  A  50  .  ?        ?     ?  
 51   1  1  A  51  HIS  A  51  .  ?        ?     ?  
 52   1  1  A  52  ASN  A  52  .  ?        ?     ?  
 53   1  1  A  53  LEU  A  53  .  ?        ?     ?  
 54   1  1  A  54  LYS  A  54  .  ?        ?     ?  
 55   1  1  A  55  GLY  A  55  .  ?        ?     ?  
 56   1  1  A  56  ARG  A  56  .  ?        ?     ?  
 57   1  1  A  57  SER  A  57  .  ?        ?     ?  
 58   1  1  A  58  ALA  A  58  .  ?        ?     ?  
 59   1  1  A  59  ARG  A  59  .  ?        ?     ?  
 60   1  1  A  60  LYS  A  60  .  ?        ?     ?  
 61   1  1  A  61  LEU  A  61  .  ?        ?     ?  
 62   1  1  A  62  GLU  A  62  .  ?        ?     ?  
 63   2  1  A   1  ALA  A   1  .  ?        ?     ?  
 64   2  1  A   2  SER  A   2  .  ?        ?     ?  
 65   2  1  A   3  MET  A   3  .  ?        ?     ?  
 66   2  1  A   4  VAL  A   4  .  ?        ?     ?  
 67   2  1  A   5  LEU  A   5  .  ?        ?     ?  
 68   2  1  A   6  SER  A   6  .  ?        ?     ?  
 69   2  1  A   7  PRO  A   7  .  ?        ?     ?  
 70   2  1  A   8  ARG  A   8  .  ?        1     ?  
 71   2  1  A   9  ASP  A   9  .  ?        ?     ?  
 72   2  1  A  10  GLU  A  10  .  ?        ?     ?  
 73   2  1  A  11  ARG  A  11  .  ?        ?     ?  
 74   2  1  A  12  THR  A  12  .  ?        ?     ?  
 75   2  1  A  13  LEU  A  13  .  ?        ?     ?  
 76   2  1  A  14  VAL  A  14  .  ?        ?     ?  
 77   2  1  A  15  ARG  A  15  .  ?        ?     ?  
 78   2  1  A  16  LYS  A  16  .  ?        ?     ?  
 79   2  1  A  17  VAL  A  17  .  ?        ?     ?  
 80   2  1  A  18  GLN  A  18  .  ?        ?     ?  
 81   2  1  A  19  ILE  A  19  .  ?        ?     ?  
 82   2  1  A  20  ASN  A  20  .  ?        ?     ?  
 83   2  1  A  21  PRO  A  21  .  ?        ?     ?  
 84   2  1  A  22  ARG  A  22  .  ?        ?     ?  
 85   2  1  A  23  THR  A  23  .  ?        ?     ?  
 86   2  1  A  24  THR  A  24  .  ?        ?     ?  
 87   2  1  A  25  ALA  A  25  .  ?        ?     ?  
 88   2  1  A  26  LYS  A  26  .  ?        ?     ?  
 89   2  1  A  27  ASP  A  27  .  ?        ?     ?  
 90   2  1  A  28  LEU  A  28  .  ?        ?     ?  
 91   2  1  A  29  VAL  A  29  .  ?        ?     ?  
 92   2  1  A  30  LYS  A  30  .  ?        ?     ?  
 93   2  1  A  31  MET  A  31  .  ?        ?     ?  
 94   2  1  A  32  LEU  A  32  .  ?        ?     ?  
 95   2  1  A  33  GLU  A  33  .  ?        ?     ?  
 96   2  1  A  34  GLU  A  34  .  ?        ?     ?  
 97   2  1  A  35  THR  A  35  .  ?        ?     ?  
 98   2  1  A  36  GLY  A  36  .  ?        ?     ?  
 99   2  1  A  37  THR  A  37  .  ?        ?     ?  
100   2  1  A  38  LYS  A  38  .  ?        ?     ?  
101   2  1  A  39  VAL  A  39  .  ?        ?     ?  
102   2  1  A  40  SER  A  40  .  ?        ?     ?  
103   2  1  A  41  ILE  A  41  .  ?        ?     ?  
104   2  1  A  42  SER  A  42  .  ?        ?     ?  
105   2  1  A  43  THR  A  43  .  ?        ?     ?  
106   2  1  A  44  VAL  A  44  .  ?        ?     ?  
107   2  1  A  45  LYS  A  45  .  ?        ?     ?  
108   2  1  A  46  ARG  A  46  .  ?        ?     ?  
109   2  1  A  47  VAL  A  47  .  ?        ?     ?  
110   2  1  A  48  LEU  A  48  .  ?        ?     ?  
111   2  1  A  49  TYR  A  49  .  ?        ?     ?  
112   2  1  A  50  ARG  A  50  .  ?        ?     ?  
113   2  1  A  51  HIS  A  51  .  ?        ?     ?  
114   2  1  A  52  ASN  A  52  .  ?        ?     ?  
115   2  1  A  53  LEU  A  53  .  ?        ?     ?  
116   2  1  A  54  LYS  A  54  .  ?        ?     ?  
117   2  1  A  55  GLY  A  55  .  ?        ?     ?  
118   2  1  A  56  ARG  A  56  .  ?        ?     ?  
119   2  1  A  57  SER  A  57  .  ?        ?     ?  
120   2  1  A  58  ALA  A  58  .  ?        ?     ?  
121   2  1  A  59  ARG  A  59  .  ?        ?     ?  
122   2  1  A  60  LYS  A  60  .  ?        ?     ?  
123   2  1  A  61  LEU  A  61  .  ?        ?     ?  
124   2  1  A  62  GLU  A  62  .  ?        ?     ?  
125   3  1  A   1  ALA  A   1  .  ?        ?     ?  
126   3  1  A   2  SER  A   2  .  ?        ?     ?  
127   3  1  A   3  MET  A   3  .  ?        ?     ?  
128   3  1  A   4  VAL  A   4  .  ?        ?     ?  
129   3  1  A   5  LEU  A   5  .  ?        ?     ?  
130   3  1  A   6  SER  A   6  .  ?        ?     ?  
131   3  1  A   7  PRO  A   7  .  ?        ?     ?  
132   3  1  A   8  ARG  A   8  .  ?        1     ?  
133   3  1  A   9  ASP  A   9  .  ?        ?     ?  
134   3  1  A  10  GLU  A  10  .  ?        ?     ?  
135   3  1  A  11  ARG  A  11  .  ?        ?     ?  
136   3  1  A  12  THR  A  12  .  ?        ?     ?  
137   3  1  A  13  LEU  A  13  .  ?        ?     ?  
138   3  1  A  14  VAL  A  14  .  ?        ?     ?  
139   3  1  A  15  ARG  A  15  .  ?        1     ?  
140   3  1  A  16  LYS  A  16  .  ?        ?     ?  
141   3  1  A  17  VAL  A  17  .  ?        ?     ?  
142   3  1  A  18  GLN  A  18  .  ?        ?     ?  
143   3  1  A  19  ILE  A  19  .  ?        ?     ?  
144   3  1  A  20  ASN  A  20  .  ?        ?     ?  
145   3  1  A  21  PRO  A  21  .  ?        ?     ?  
146   3  1  A  22  ARG  A  22  .  ?        ?     ?  
147   3  1  A  23  THR  A  23  .  ?        ?     ?  
148   3  1  A  24  THR  A  24  .  ?        ?     ?  
149   3  1  A  25  ALA  A  25  .  ?        ?     ?  
150   3  1  A  26  LYS  A  26  .  ?        ?     ?  
151   3  1  A  27  ASP  A  27  .  ?        ?     ?  
152   3  1  A  28  LEU  A  28  .  ?        ?     ?  
153   3  1  A  29  VAL  A  29  .  ?        ?     ?  
154   3  1  A  30  LYS  A  30  .  ?        ?     ?  
155   3  1  A  31  MET  A  31  .  ?        ?     ?  
156   3  1  A  32  LEU  A  32  .  ?        ?     ?  
157   3  1  A  33  GLU  A  33  .  ?        ?     ?  
158   3  1  A  34  GLU  A  34  .  ?        ?     ?  
159   3  1  A  35  THR  A  35  .  ?        ?     ?  
160   3  1  A  36  GLY  A  36  .  ?        ?     ?  
161   3  1  A  37  THR  A  37  .  ?        ?     ?  
162   3  1  A  38  LYS  A  38  .  ?        ?     ?  
163   3  1  A  39  VAL  A  39  .  ?        ?     ?  
164   3  1  A  40  SER  A  40  .  ?        ?     ?  
165   3  1  A  41  ILE  A  41  .  ?        ?     ?  
166   3  1  A  42  SER  A  42  .  ?        ?     ?  
167   3  1  A  43  THR  A  43  .  ?        ?     ?  
168   3  1  A  44  VAL  A  44  .  ?        ?     ?  
169   3  1  A  45  LYS  A  45  .  ?        ?     ?  
170   3  1  A  46  ARG  A  46  .  ?        1     ?  
171   3  1  A  47  VAL  A  47  .  ?        ?     ?  
172   3  1  A  48  LEU  A  48  .  ?        ?     ?  
173   3  1  A  49  TYR  A  49  .  ?        ?     ?  
174   3  1  A  50  ARG  A  50  .  ?        ?     ?  
175   3  1  A  51  HIS  A  51  .  ?        ?     ?  
176   3  1  A  52  ASN  A  52  .  ?        ?     ?  
177   3  1  A  53  LEU  A  53  .  ?        ?     ?  
178   3  1  A  54  LYS  A  54  .  ?        ?     ?  
179   3  1  A  55  GLY  A  55  .  ?        ?     ?  
180   3  1  A  56  ARG  A  56  .  ?        1     ?  
181   3  1  A  57  SER  A  57  .  ?        ?     ?  
182   3  1  A  58  ALA  A  58  .  ?        ?     1  
183   3  1  A  59  ARG  A  59  .  ?        ?     ?  
184   3  1  A  60  LYS  A  60  .  ?        ?     ?  
185   3  1  A  61  LEU  A  61  .  ?        ?     ?  
186   3  1  A  62  GLU  A  62  .  ?        ?     1  
187   4  1  A   1  ALA  A   1  .  ?        ?     ?  
188   4  1  A   2  SER  A   2  .  ?        ?     ?  
189   4  1  A   3  MET  A   3  .  ?        ?     ?  
190   4  1  A   4  VAL  A   4  .  ?        ?     ?  
191   4  1  A   5  LEU  A   5  .  ?        ?     ?  
192   4  1  A   6  SER  A   6  .  ?        ?     ?  
193   4  1  A   7  PRO  A   7  .  ?        ?     ?  
194   4  1  A   8  ARG  A   8  .  ?        ?     ?  
195   4  1  A   9  ASP  A   9  .  ?        ?     ?  
196   4  1  A  10  GLU  A  10  .  ?        ?     ?  
197   4  1  A  11  ARG  A  11  .  ?        ?     ?  
198   4  1  A  12  THR  A  12  .  ?        ?     ?  
199   4  1  A  13  LEU  A  13  .  ?        ?     ?  
200   4  1  A  14  VAL  A  14  .  ?        ?     ?  
201   4  1  A  15  ARG  A  15  .  ?        ?     ?  
202   4  1  A  16  LYS  A  16  .  ?        ?     ?  
203   4  1  A  17  VAL  A  17  .  ?        ?     ?  
204   4  1  A  18  GLN  A  18  .  ?        ?     ?  
205   4  1  A  19  ILE  A  19  .  ?        ?     ?  
206   4  1  A  20  ASN  A  20  .  ?        ?     ?  
207   4  1  A  21  PRO  A  21  .  ?        ?     ?  
208   4  1  A  22  ARG  A  22  .  ?        ?     ?  
209   4  1  A  23  THR  A  23  .  ?        ?     ?  
210   4  1  A  24  THR  A  24  .  ?        ?     ?  
211   4  1  A  25  ALA  A  25  .  ?        ?     ?  
212   4  1  A  26  LYS  A  26  .  ?        ?     ?  
213   4  1  A  27  ASP  A  27  .  ?        ?     ?  
214   4  1  A  28  LEU  A  28  .  ?        ?     ?  
215   4  1  A  29  VAL  A  29  .  ?        ?     ?  
216   4  1  A  30  LYS  A  30  .  ?        ?     ?  
217   4  1  A  31  MET  A  31  .  ?        ?     ?  
218   4  1  A  32  LEU  A  32  .  ?        ?     ?  
219   4  1  A  33  GLU  A  33  .  ?        ?     ?  
220   4  1  A  34  GLU  A  34  .  ?        ?     ?  
221   4  1  A  35  THR  A  35  .  ?        ?     ?  
222   4  1  A  36  GLY  A  36  .  ?        ?     ?  
223   4  1  A  37  THR  A  37  .  ?        ?     ?  
224   4  1  A  38  LYS  A  38  .  ?        ?     ?  
225   4  1  A  39  VAL  A  39  .  ?        ?     ?  
226   4  1  A  40  SER  A  40  .  ?        ?     ?  
227   4  1  A  41  ILE  A  41  .  ?        ?     ?  
228   4  1  A  42  SER  A  42  .  ?        ?     ?  
229   4  1  A  43  THR  A  43  .  ?        ?     ?  
230   4  1  A  44  VAL  A  44  .  ?        ?     ?  
231   4  1  A  45  LYS  A  45  .  ?        ?     ?  
232   4  1  A  46  ARG  A  46  .  ?        ?     ?  
233   4  1  A  47  VAL  A  47  .  ?        ?     ?  
234   4  1  A  48  LEU  A  48  .  ?        ?     ?  
235   4  1  A  49  TYR  A  49  .  ?        ?     ?  
236   4  1  A  50  ARG  A  50  .  ?        ?     ?  
237   4  1  A  51  HIS  A  51  .  ?        ?     ?  
238   4  1  A  52  ASN  A  52  .  ?        ?     ?  
239   4  1  A  53  LEU  A  53  .  ?        ?     ?  
240   4  1  A  54  LYS  A  54  .  ?        ?     ?  
241   4  1  A  55  GLY  A  55  .  ?        ?     ?  
242   4  1  A  56  ARG  A  56  .  ?        ?     ?  
243   4  1  A  57  SER  A  57  .  ?        ?     ?  
244   4  1  A  58  ALA  A  58  .  ?        ?     ?  
245   4  1  A  59  ARG  A  59  .  ?        ?     ?  
246   4  1  A  60  LYS  A  60  .  ?        ?     ?  
247   4  1  A  61  LEU  A  61  .  ?        ?     ?  
248   4  1  A  62  GLU  A  62  .  ?        ?     ?  
249   5  1  A   1  ALA  A   1  .  ?        ?     ?  
250   5  1  A   2  SER  A   2  .  ?        ?     ?  
251   5  1  A   3  MET  A   3  .  ?        ?     ?  
252   5  1  A   4  VAL  A   4  .  ?        ?     ?  
253   5  1  A   5  LEU  A   5  .  ?        ?     ?  
254   5  1  A   6  SER  A   6  .  ?        ?     ?  
255   5  1  A   7  PRO  A   7  .  ?        ?     ?  
256   5  1  A   8  ARG  A   8  .  ?        ?     ?  
257   5  1  A   9  ASP  A   9  .  ?        ?     ?  
258   5  1  A  10  GLU  A  10  .  ?        ?     ?  
259   5  1  A  11  ARG  A  11  .  ?        ?     ?  
260   5  1  A  12  THR  A  12  .  ?        ?     ?  
261   5  1  A  13  LEU  A  13  .  ?        ?     ?  
262   5  1  A  14  VAL  A  14  .  ?        ?     ?  
263   5  1  A  15  ARG  A  15  .  ?        ?     ?  
264   5  1  A  16  LYS  A  16  .  ?        ?     ?  
265   5  1  A  17  VAL  A  17  .  ?        ?     ?  
266   5  1  A  18  GLN  A  18  .  ?        ?     ?  
267   5  1  A  19  ILE  A  19  .  ?        ?     ?  
268   5  1  A  20  ASN  A  20  .  ?        ?     ?  
269   5  1  A  21  PRO  A  21  .  ?        ?     ?  
270   5  1  A  22  ARG  A  22  .  ?        1     ?  
271   5  1  A  23  THR  A  23  .  ?        ?     ?  
272   5  1  A  24  THR  A  24  .  ?        ?     ?  
273   5  1  A  25  ALA  A  25  .  ?        ?     ?  
274   5  1  A  26  LYS  A  26  .  ?        ?     ?  
275   5  1  A  27  ASP  A  27  .  ?        ?     ?  
276   5  1  A  28  LEU  A  28  .  ?        ?     ?  
277   5  1  A  29  VAL  A  29  .  ?        ?     1  
278   5  1  A  30  LYS  A  30  .  ?        ?     ?  
279   5  1  A  31  MET  A  31  .  ?        ?     ?  
280   5  1  A  32  LEU  A  32  .  ?        ?     ?  
281   5  1  A  33  GLU  A  33  .  ?        ?     ?  
282   5  1  A  34  GLU  A  34  .  ?        ?     ?  
283   5  1  A  35  THR  A  35  .  ?        ?     ?  
284   5  1  A  36  GLY  A  36  .  ?        ?     ?  
285   5  1  A  37  THR  A  37  .  ?        ?     ?  
286   5  1  A  38  LYS  A  38  .  ?        ?     ?  
287   5  1  A  39  VAL  A  39  .  ?        ?     ?  
288   5  1  A  40  SER  A  40  .  ?        ?     ?  
289   5  1  A  41  ILE  A  41  .  ?        ?     1  
290   5  1  A  42  SER  A  42  .  ?        ?     ?  
291   5  1  A  43  THR  A  43  .  ?        ?     ?  
292   5  1  A  44  VAL  A  44  .  ?        ?     ?  
293   5  1  A  45  LYS  A  45  .  ?        ?     ?  
294   5  1  A  46  ARG  A  46  .  ?        ?     ?  
295   5  1  A  47  VAL  A  47  .  ?        ?     ?  
296   5  1  A  48  LEU  A  48  .  ?        ?     ?  
297   5  1  A  49  TYR  A  49  .  ?        ?     ?  
298   5  1  A  50  ARG  A  50  .  ?        ?     ?  
299   5  1  A  51  HIS  A  51  .  ?        ?     ?  
300   5  1  A  52  ASN  A  52  .  ?        ?     ?  
301   5  1  A  53  LEU  A  53  .  ?        ?     ?  
302   5  1  A  54  LYS  A  54  .  ?        ?     ?  
303   5  1  A  55  GLY  A  55  .  ?        ?     ?  
304   5  1  A  56  ARG  A  56  .  ?        ?     ?  
305   5  1  A  57  SER  A  57  .  ?        ?     ?  
306   5  1  A  58  ALA  A  58  .  ?        ?     ?  
307   5  1  A  59  ARG  A  59  .  ?        ?     ?  
308   5  1  A  60  LYS  A  60  .  ?        ?     ?  
309   5  1  A  61  LEU  A  61  .  ?        ?     ?  
310   5  1  A  62  GLU  A  62  .  ?        ?     ?  
311   6  1  A   1  ALA  A   1  .  ?        ?     ?  
312   6  1  A   2  SER  A   2  .  ?        ?     ?  
313   6  1  A   3  MET  A   3  .  ?        ?     ?  
314   6  1  A   4  VAL  A   4  .  ?        ?     ?  
315   6  1  A   5  LEU  A   5  .  ?        ?     ?  
316   6  1  A   6  SER  A   6  .  ?        ?     ?  
317   6  1  A   7  PRO  A   7  .  ?        ?     ?  
318   6  1  A   8  ARG  A   8  .  ?        ?     ?  
319   6  1  A   9  ASP  A   9  .  ?        ?     ?  
320   6  1  A  10  GLU  A  10  .  ?        ?     ?  
321   6  1  A  11  ARG  A  11  .  ?        ?     ?  
322   6  1  A  12  THR  A  12  .  ?        ?     ?  
323   6  1  A  13  LEU  A  13  .  ?        ?     ?  
324   6  1  A  14  VAL  A  14  .  ?        ?     ?  
325   6  1  A  15  ARG  A  15  .  ?        ?     ?  
326   6  1  A  16  LYS  A  16  .  ?        ?     ?  
327   6  1  A  17  VAL  A  17  .  ?        ?     ?  
328   6  1  A  18  GLN  A  18  .  ?        ?     ?  
329   6  1  A  19  ILE  A  19  .  ?        ?     ?  
330   6  1  A  20  ASN  A  20  .  ?        ?     ?  
331   6  1  A  21  PRO  A  21  .  ?        ?     ?  
332   6  1  A  22  ARG  A  22  .  ?        ?     ?  
333   6  1  A  23  THR  A  23  .  ?        ?     ?  
334   6  1  A  24  THR  A  24  .  ?        ?     ?  
335   6  1  A  25  ALA  A  25  .  ?        ?     ?  
336   6  1  A  26  LYS  A  26  .  ?        ?     ?  
337   6  1  A  27  ASP  A  27  .  ?        ?     ?  
338   6  1  A  28  LEU  A  28  .  ?        ?     ?  
339   6  1  A  29  VAL  A  29  .  ?        ?     ?  
340   6  1  A  30  LYS  A  30  .  ?        ?     ?  
341   6  1  A  31  MET  A  31  .  ?        ?     ?  
342   6  1  A  32  LEU  A  32  .  ?        ?     ?  
343   6  1  A  33  GLU  A  33  .  ?        ?     ?  
344   6  1  A  34  GLU  A  34  .  ?        ?     ?  
345   6  1  A  35  THR  A  35  .  ?        ?     ?  
346   6  1  A  36  GLY  A  36  .  ?        ?     ?  
347   6  1  A  37  THR  A  37  .  ?        ?     ?  
348   6  1  A  38  LYS  A  38  .  ?        ?     ?  
349   6  1  A  39  VAL  A  39  .  ?        ?     ?  
350   6  1  A  40  SER  A  40  .  ?        ?     ?  
351   6  1  A  41  ILE  A  41  .  ?        ?     ?  
352   6  1  A  42  SER  A  42  .  ?        ?     ?  
353   6  1  A  43  THR  A  43  .  ?        ?     ?  
354   6  1  A  44  VAL  A  44  .  ?        ?     ?  
355   6  1  A  45  LYS  A  45  .  ?        ?     ?  
356   6  1  A  46  ARG  A  46  .  ?        ?     ?  
357   6  1  A  47  VAL  A  47  .  ?        ?     ?  
358   6  1  A  48  LEU  A  48  .  ?        ?     ?  
359   6  1  A  49  TYR  A  49  .  ?        1     ?  
360   6  1  A  50  ARG  A  50  .  ?        ?     ?  
361   6  1  A  51  HIS  A  51  .  ?        ?     ?  
362   6  1  A  52  ASN  A  52  .  ?        ?     ?  
363   6  1  A  53  LEU  A  53  .  ?        ?     ?  
364   6  1  A  54  LYS  A  54  .  ?        ?     ?  
365   6  1  A  55  GLY  A  55  .  ?        ?     ?  
366   6  1  A  56  ARG  A  56  .  ?        ?     ?  
367   6  1  A  57  SER  A  57  .  ?        ?     ?  
368   6  1  A  58  ALA  A  58  .  ?        ?     ?  
369   6  1  A  59  ARG  A  59  .  ?        ?     ?  
370   6  1  A  60  LYS  A  60  .  ?        ?     ?  
371   6  1  A  61  LEU  A  61  .  ?        ?     ?  
372   6  1  A  62  GLU  A  62  .  ?        ?     ?  
373   7  1  A   1  ALA  A   1  .  ?        ?     ?  
374   7  1  A   2  SER  A   2  .  ?        ?     ?  
375   7  1  A   3  MET  A   3  .  ?        ?     ?  
376   7  1  A   4  VAL  A   4  .  ?        ?     ?  
377   7  1  A   5  LEU  A   5  .  ?        ?     ?  
378   7  1  A   6  SER  A   6  .  ?        ?     ?  
379   7  1  A   7  PRO  A   7  .  ?        ?     ?  
380   7  1  A   8  ARG  A   8  .  ?        ?     ?  
381   7  1  A   9  ASP  A   9  .  ?        ?     ?  
382   7  1  A  10  GLU  A  10  .  ?        ?     ?  
383   7  1  A  11  ARG  A  11  .  ?        ?     ?  
384   7  1  A  12  THR  A  12  .  ?        ?     ?  
385   7  1  A  13  LEU  A  13  .  ?        ?     ?  
386   7  1  A  14  VAL  A  14  .  ?        ?     ?  
387   7  1  A  15  ARG  A  15  .  ?        ?     ?  
388   7  1  A  16  LYS  A  16  .  ?        ?     ?  
389   7  1  A  17  VAL  A  17  .  ?        ?     ?  
390   7  1  A  18  GLN  A  18  .  ?        ?     ?  
391   7  1  A  19  ILE  A  19  .  ?        ?     ?  
392   7  1  A  20  ASN  A  20  .  ?        ?     ?  
393   7  1  A  21  PRO  A  21  .  ?        ?     ?  
394   7  1  A  22  ARG  A  22  .  ?        ?     ?  
395   7  1  A  23  THR  A  23  .  ?        ?     ?  
396   7  1  A  24  THR  A  24  .  ?        ?     ?  
397   7  1  A  25  ALA  A  25  .  ?        ?     ?  
398   7  1  A  26  LYS  A  26  .  ?        ?     ?  
399   7  1  A  27  ASP  A  27  .  ?        ?     ?  
400   7  1  A  28  LEU  A  28  .  ?        ?     ?  
401   7  1  A  29  VAL  A  29  .  ?        ?     ?  
402   7  1  A  30  LYS  A  30  .  ?        ?     ?  
403   7  1  A  31  MET  A  31  .  ?        ?     ?  
404   7  1  A  32  LEU  A  32  .  ?        ?     ?  
405   7  1  A  33  GLU  A  33  .  ?        ?     ?  
406   7  1  A  34  GLU  A  34  .  ?        ?     ?  
407   7  1  A  35  THR  A  35  .  ?        ?     ?  
408   7  1  A  36  GLY  A  36  .  ?        ?     ?  
409   7  1  A  37  THR  A  37  .  ?        ?     ?  
410   7  1  A  38  LYS  A  38  .  ?        ?     ?  
411   7  1  A  39  VAL  A  39  .  ?        ?     ?  
412   7  1  A  40  SER  A  40  .  ?        ?     ?  
413   7  1  A  41  ILE  A  41  .  ?        ?     ?  
414   7  1  A  42  SER  A  42  .  ?        ?     ?  
415   7  1  A  43  THR  A  43  .  ?        ?     ?  
416   7  1  A  44  VAL  A  44  .  ?        ?     ?  
417   7  1  A  45  LYS  A  45  .  ?        ?     ?  
418   7  1  A  46  ARG  A  46  .  ?        ?     ?  
419   7  1  A  47  VAL  A  47  .  ?        ?     ?  
420   7  1  A  48  LEU  A  48  .  ?        ?     ?  
421   7  1  A  49  TYR  A  49  .  ?        ?     ?  
422   7  1  A  50  ARG  A  50  .  ?        ?     ?  
423   7  1  A  51  HIS  A  51  .  ?        ?     ?  
424   7  1  A  52  ASN  A  52  .  ?        ?     ?  
425   7  1  A  53  LEU  A  53  .  ?        ?     ?  
426   7  1  A  54  LYS  A  54  .  ?        ?     ?  
427   7  1  A  55  GLY  A  55  .  ?        ?     ?  
428   7  1  A  56  ARG  A  56  .  ?        ?     ?  
429   7  1  A  57  SER  A  57  .  ?        ?     ?  
430   7  1  A  58  ALA  A  58  .  ?        ?     ?  
431   7  1  A  59  ARG  A  59  .  ?        ?     ?  
432   7  1  A  60  LYS  A  60  .  ?        ?     ?  
433   7  1  A  61  LEU  A  61  .  ?        ?     ?  
434   7  1  A  62  GLU  A  62  .  ?        ?     ?  
435   8  1  A   1  ALA  A   1  .  ?        ?     ?  
436   8  1  A   2  SER  A   2  .  ?        ?     ?  
437   8  1  A   3  MET  A   3  .  ?        ?     ?  
438   8  1  A   4  VAL  A   4  .  ?        ?     ?  
439   8  1  A   5  LEU  A   5  .  ?        ?     ?  
440   8  1  A   6  SER  A   6  .  ?        ?     ?  
441   8  1  A   7  PRO  A   7  .  ?        ?     ?  
442   8  1  A   8  ARG  A   8  .  ?        ?     ?  
443   8  1  A   9  ASP  A   9  .  ?        ?     ?  
444   8  1  A  10  GLU  A  10  .  ?        ?     ?  
445   8  1  A  11  ARG  A  11  .  ?        ?     ?  
446   8  1  A  12  THR  A  12  .  ?        ?     ?  
447   8  1  A  13  LEU  A  13  .  ?        ?     ?  
448   8  1  A  14  VAL  A  14  .  ?        ?     ?  
449   8  1  A  15  ARG  A  15  .  ?        ?     ?  
450   8  1  A  16  LYS  A  16  .  ?        ?     ?  
451   8  1  A  17  VAL  A  17  .  ?        ?     ?  
452   8  1  A  18  GLN  A  18  .  ?        ?     ?  
453   8  1  A  19  ILE  A  19  .  ?        ?     ?  
454   8  1  A  20  ASN  A  20  .  ?        ?     ?  
455   8  1  A  21  PRO  A  21  .  ?        ?     ?  
456   8  1  A  22  ARG  A  22  .  ?        ?     ?  
457   8  1  A  23  THR  A  23  .  ?        ?     ?  
458   8  1  A  24  THR  A  24  .  ?        ?     ?  
459   8  1  A  25  ALA  A  25  .  ?        ?     ?  
460   8  1  A  26  LYS  A  26  .  ?        ?     ?  
461   8  1  A  27  ASP  A  27  .  ?        ?     ?  
462   8  1  A  28  LEU  A  28  .  ?        ?     ?  
463   8  1  A  29  VAL  A  29  .  ?        ?     ?  
464   8  1  A  30  LYS  A  30  .  ?        ?     ?  
465   8  1  A  31  MET  A  31  .  ?        ?     ?  
466   8  1  A  32  LEU  A  32  .  ?        ?     ?  
467   8  1  A  33  GLU  A  33  .  ?        ?     ?  
468   8  1  A  34  GLU  A  34  .  ?        ?     ?  
469   8  1  A  35  THR  A  35  .  ?        ?     ?  
470   8  1  A  36  GLY  A  36  .  ?        ?     ?  
471   8  1  A  37  THR  A  37  .  ?        ?     ?  
472   8  1  A  38  LYS  A  38  .  ?        ?     ?  
473   8  1  A  39  VAL  A  39  .  ?        ?     ?  
474   8  1  A  40  SER  A  40  .  ?        ?     ?  
475   8  1  A  41  ILE  A  41  .  ?        ?     ?  
476   8  1  A  42  SER  A  42  .  ?        ?     ?  
477   8  1  A  43  THR  A  43  .  ?        ?     ?  
478   8  1  A  44  VAL  A  44  .  ?        ?     ?  
479   8  1  A  45  LYS  A  45  .  ?        ?     ?  
480   8  1  A  46  ARG  A  46  .  ?        ?     ?  
481   8  1  A  47  VAL  A  47  .  ?        ?     ?  
482   8  1  A  48  LEU  A  48  .  ?        ?     ?  
483   8  1  A  49  TYR  A  49  .  ?        1     ?  
484   8  1  A  50  ARG  A  50  .  ?        ?     ?  
485   8  1  A  51  HIS  A  51  .  ?        ?     ?  
486   8  1  A  52  ASN  A  52  .  ?        ?     ?  
487   8  1  A  53  LEU  A  53  .  ?        ?     ?  
488   8  1  A  54  LYS  A  54  .  ?        ?     ?  
489   8  1  A  55  GLY  A  55  .  ?        ?     ?  
490   8  1  A  56  ARG  A  56  .  ?        ?     ?  
491   8  1  A  57  SER  A  57  .  ?        ?     ?  
492   8  1  A  58  ALA  A  58  .  ?        ?     ?  
493   8  1  A  59  ARG  A  59  .  ?        ?     ?  
494   8  1  A  60  LYS  A  60  .  ?        ?     ?  
495   8  1  A  61  LEU  A  61  .  ?        ?     ?  
496   8  1  A  62  GLU  A  62  .  ?        ?     ?  
497   9  1  A   1  ALA  A   1  .  ?        ?     ?  
498   9  1  A   2  SER  A   2  .  ?        ?     ?  
499   9  1  A   3  MET  A   3  .  ?        ?     ?  
500   9  1  A   4  VAL  A   4  .  ?        ?     ?  
501   9  1  A   5  LEU  A   5  .  ?        ?     ?  
502   9  1  A   6  SER  A   6  .  ?        ?     ?  
503   9  1  A   7  PRO  A   7  .  ?        ?     ?  
504   9  1  A   8  ARG  A   8  .  ?        ?     ?  
505   9  1  A   9  ASP  A   9  .  ?        ?     ?  
506   9  1  A  10  GLU  A  10  .  ?        ?     ?  
507   9  1  A  11  ARG  A  11  .  ?        ?     ?  
508   9  1  A  12  THR  A  12  .  ?        ?     ?  
509   9  1  A  13  LEU  A  13  .  ?        ?     ?  
510   9  1  A  14  VAL  A  14  .  ?        ?     ?  
511   9  1  A  15  ARG  A  15  .  ?        ?     ?  
512   9  1  A  16  LYS  A  16  .  ?        ?     ?  
513   9  1  A  17  VAL  A  17  .  ?        ?     ?  
514   9  1  A  18  GLN  A  18  .  ?        ?     ?  
515   9  1  A  19  ILE  A  19  .  ?        ?     ?  
516   9  1  A  20  ASN  A  20  .  ?        ?     ?  
517   9  1  A  21  PRO  A  21  .  ?        ?     ?  
518   9  1  A  22  ARG  A  22  .  ?        ?     ?  
519   9  1  A  23  THR  A  23  .  ?        ?     ?  
520   9  1  A  24  THR  A  24  .  ?        ?     ?  
521   9  1  A  25  ALA  A  25  .  ?        ?     ?  
522   9  1  A  26  LYS  A  26  .  ?        ?     ?  
523   9  1  A  27  ASP  A  27  .  ?        ?     ?  
524   9  1  A  28  LEU  A  28  .  ?        ?     ?  
525   9  1  A  29  VAL  A  29  .  ?        ?     ?  
526   9  1  A  30  LYS  A  30  .  ?        ?     ?  
527   9  1  A  31  MET  A  31  .  ?        ?     ?  
528   9  1  A  32  LEU  A  32  .  ?        ?     ?  
529   9  1  A  33  GLU  A  33  .  ?        ?     ?  
530   9  1  A  34  GLU  A  34  .  ?        ?     ?  
531   9  1  A  35  THR  A  35  .  ?        ?     ?  
532   9  1  A  36  GLY  A  36  .  ?        ?     ?  
533   9  1  A  37  THR  A  37  .  ?        ?     ?  
534   9  1  A  38  LYS  A  38  .  ?        ?     ?  
535   9  1  A  39  VAL  A  39  .  ?        ?     ?  
536   9  1  A  40  SER  A  40  .  ?        ?     ?  
537   9  1  A  41  ILE  A  41  .  ?        ?     ?  
538   9  1  A  42  SER  A  42  .  ?        ?     ?  
539   9  1  A  43  THR  A  43  .  ?        ?     ?  
540   9  1  A  44  VAL  A  44  .  ?        ?     ?  
541   9  1  A  45  LYS  A  45  .  ?        ?     ?  
542   9  1  A  46  ARG  A  46  .  ?        ?     ?  
543   9  1  A  47  VAL  A  47  .  ?        ?     ?  
544   9  1  A  48  LEU  A  48  .  ?        ?     ?  
545   9  1  A  49  TYR  A  49  .  ?        ?     ?  
546   9  1  A  50  ARG  A  50  .  ?        1     ?  
547   9  1  A  51  HIS  A  51  .  ?        ?     ?  
548   9  1  A  52  ASN  A  52  .  ?        ?     ?  
549   9  1  A  53  LEU  A  53  .  ?        ?     ?  
550   9  1  A  54  LYS  A  54  .  ?        ?     ?  
551   9  1  A  55  GLY  A  55  .  ?        ?     ?  
552   9  1  A  56  ARG  A  56  .  ?        ?     ?  
553   9  1  A  57  SER  A  57  .  ?        ?     ?  
554   9  1  A  58  ALA  A  58  .  ?        ?     ?  
555   9  1  A  59  ARG  A  59  .  ?        ?     ?  
556   9  1  A  60  LYS  A  60  .  ?        ?     ?  
557   9  1  A  61  LEU  A  61  .  ?        ?     ?  
558   9  1  A  62  GLU  A  62  .  ?        ?     ?  
559  10  1  A   1  ALA  A   1  .  ?        ?     ?  
560  10  1  A   2  SER  A   2  .  ?        ?     ?  
561  10  1  A   3  MET  A   3  .  ?        ?     ?  
562  10  1  A   4  VAL  A   4  .  ?        ?     ?  
563  10  1  A   5  LEU  A   5  .  ?        ?     ?  
564  10  1  A   6  SER  A   6  .  ?        ?     ?  
565  10  1  A   7  PRO  A   7  .  ?        ?     ?  
566  10  1  A   8  ARG  A   8  .  ?        ?     ?  
567  10  1  A   9  ASP  A   9  .  ?        ?     ?  
568  10  1  A  10  GLU  A  10  .  ?        ?     ?  
569  10  1  A  11  ARG  A  11  .  ?        ?     ?  
570  10  1  A  12  THR  A  12  .  ?        ?     ?  
571  10  1  A  13  LEU  A  13  .  ?        ?     ?  
572  10  1  A  14  VAL  A  14  .  ?        ?     ?  
573  10  1  A  15  ARG  A  15  .  ?        ?     ?  
574  10  1  A  16  LYS  A  16  .  ?        ?     ?  
575  10  1  A  17  VAL  A  17  .  ?        ?     ?  
576  10  1  A  18  GLN  A  18  .  ?        ?     ?  
577  10  1  A  19  ILE  A  19  .  ?        ?     ?  
578  10  1  A  20  ASN  A  20  .  ?        ?     ?  
579  10  1  A  21  PRO  A  21  .  ?        ?     ?  
580  10  1  A  22  ARG  A  22  .  ?        ?     ?  
581  10  1  A  23  THR  A  23  .  ?        ?     ?  
582  10  1  A  24  THR  A  24  .  ?        ?     ?  
583  10  1  A  25  ALA  A  25  .  ?        ?     ?  
584  10  1  A  26  LYS  A  26  .  ?        ?     ?  
585  10  1  A  27  ASP  A  27  .  ?        ?     ?  
586  10  1  A  28  LEU  A  28  .  ?        ?     ?  
587  10  1  A  29  VAL  A  29  .  ?        ?     ?  
588  10  1  A  30  LYS  A  30  .  ?        ?     ?  
589  10  1  A  31  MET  A  31  .  ?        ?     ?  
590  10  1  A  32  LEU  A  32  .  ?        ?     ?  
591  10  1  A  33  GLU  A  33  .  ?        ?     ?  
592  10  1  A  34  GLU  A  34  .  ?        ?     ?  
593  10  1  A  35  THR  A  35  .  ?        ?     ?  
594  10  1  A  36  GLY  A  36  .  ?        ?     ?  
595  10  1  A  37  THR  A  37  .  ?        ?     ?  
596  10  1  A  38  LYS  A  38  .  ?        ?     ?  
597  10  1  A  39  VAL  A  39  .  ?        ?     ?  
598  10  1  A  40  SER  A  40  .  ?        ?     ?  
599  10  1  A  41  ILE  A  41  .  ?        ?     ?  
600  10  1  A  42  SER  A  42  .  ?        ?     ?  
601  10  1  A  43  THR  A  43  .  ?        ?     ?  
602  10  1  A  44  VAL  A  44  .  ?        ?     ?  
603  10  1  A  45  LYS  A  45  .  ?        ?     ?  
604  10  1  A  46  ARG  A  46  .  ?        ?     ?  
605  10  1  A  47  VAL  A  47  .  ?        ?     ?  
606  10  1  A  48  LEU  A  48  .  ?        ?     ?  
607  10  1  A  49  TYR  A  49  .  ?        1     ?  
608  10  1  A  50  ARG  A  50  .  ?        ?     ?  
609  10  1  A  51  HIS  A  51  .  ?        ?     ?  
610  10  1  A  52  ASN  A  52  .  ?        ?     ?  
611  10  1  A  53  LEU  A  53  .  ?        ?     ?  
612  10  1  A  54  LYS  A  54  .  ?        ?     ?  
613  10  1  A  55  GLY  A  55  .  ?        ?     ?  
614  10  1  A  56  ARG  A  56  .  ?        ?     ?  
615  10  1  A  57  SER  A  57  .  ?        ?     ?  
616  10  1  A  58  ALA  A  58  .  ?        ?     ?  
617  10  1  A  59  ARG  A  59  .  ?        ?     ?  
618  10  1  A  60  LYS  A  60  .  ?        ?     ?  
619  10  1  A  61  LEU  A  61  .  ?        ?     ?  
620  10  1  A  62  GLU  A  62  .  ?        ?     ?  
#
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  ?             ?       ?  ?         7   5  1.09   7  1.44  molprobity     ?  False  
  2    2  t         -61.2   -38.5  Favored   5   6  1.02   8  0.93  molprobity     ?  False  
  3    3  tpt       -61.8   -22.0  Favored   9   8  0.72  10  1.27  molprobity     ?  False  
  4    4  t          74.7    75.6  OUTLIER   9   7  0.57  10  1.33  molprobity     ?  False  
  5    5  tp        -66.8   -44.8  Favored  11   8  0.58  11  0.73  molprobity     ?  False  
  6    6  m        -110.2   103.3  Favored   5   6  0.75   9  1.26  molprobity     ?  False  
  7    7  Cg_endo   -70.4   -21.0  Favored   7   8  0.54  11  0.97  molprobity     ?  False  
  8    8  mtp180    -82.4   -49.0  Favored  13  11  1.78  14  1.22  molprobity     ?  False  
  9    9  m-20      -79.4   -45.4  Favored   4   8  0.56  11  0.71  molprobity     ?  False  
 10   10  tp10      -67.2   -43.2  Favored   6   9  0.91  12  0.66  molprobity     1  True   
 11   11  tpt180    -63.4   -44.7  Favored  13  11  1.74  14  0.93  molprobity     1  True   
 12   12  m         -63.8   -44.7  Favored   7   7  0.48  10  0.81  molprobity     1  True   
 13   13  tt        -61.8   -47.1  Favored  11   8  0.72  11  0.90  molprobity     1  True   
 14   14  m         -68.3   -36.4  Favored   9   7  0.62  10  0.92  molprobity     1  True   
 15   15  tpp85     -64.8   -50.7  Favored  13  11  1.83  14  1.02  molprobity     1  True   
 16   16  mttt      -67.4   -43.8  Favored  13   9  0.61  11  0.89  molprobity     1  True   
 17   17  p         -65.3   -38.6  Favored   9   7  0.54  10  0.78  molprobity     1  True   
 18   18  mt-30     -75.8   -43.0  Favored   8   9  0.82  12  0.76  molprobity     1  True   
 19   19  mm        -68.0   -45.6  Favored  11   8  0.53  11  0.63  molprobity     1  True   
 20   20  m120     -110.8   101.1  Favored   6   8  0.74  12  0.92  molprobity     1  True   
 21   21  Cg_endo   -72.4    -8.4  Favored   7   8  0.40  11  0.91  molprobity     1  True   
 22   22  ttt180    -61.7   -38.1  Favored  13  11  1.76  14  1.05  molprobity     1  True   
 23   23  m         -61.3   129.9  Favored   7   7  0.43  10  0.85  molprobity     1  True   
 24   24  t        -129.6   174.7  Favored   7   7  0.42  10  1.00  molprobity     1  True   
 25   25  ?         -59.1   -35.9  Favored   5   5  0.58   7  0.81  molprobity     1  True   
 26   26  mttt      -61.9   -39.3  Favored  13   9  0.54  11  0.59  molprobity     1  True   
 27   27  m-20      -65.1   -44.5  Favored   4   8  0.43  11  1.03  molprobity     1  True   
 28   28  mt        -65.4   -45.1  Favored  11   8  0.61  11  0.71  molprobity     1  True   
 29   29  p         -62.7   -39.5  Favored   9   7  0.59  10  0.70  molprobity     1  True   
 30   30  tttm      -63.4   -43.6  Favored  13   9  0.56  11  0.57  molprobity     1  True   
 31   31  mtm       -63.4   -41.4  Favored   9   8  0.65  10  0.85  molprobity     1  True   
 32   32  mt        -62.0   -45.1  Favored  11   8  0.61  11  0.56  molprobity     1  True   
 33   33  pt-20     -69.3   -31.4  Favored   6   9  0.86  12  0.78  molprobity     1  True   
 34   34  tt0       -64.8   -43.2  Favored   6   9  0.81  12  0.56  molprobity     1  True   
 35   35  m         -63.2   -43.4  Favored   7   7  0.71  10  0.94  molprobity     1  True   
 36   36  ?         102.2    21.0  Favored   3   4  0.50   5  0.41  molprobity     1  True   
 37   37  m        -102.7   127.4  Favored   7   7  0.49  10  1.12  molprobity     1  True   
 38   38  mttt      -81.0   115.0  Favored  13   9  0.49  11  0.70  molprobity     1  True   
 39   39  t        -131.4   133.2  Favored   9   7  0.66  10  0.83  molprobity     1  True   
 40   40  t         -68.4   146.5  Favored   5   6  1.04   8  0.75  molprobity     1  True   
 41   41  mm        -63.1   -39.1  Favored  11   8  0.56  11  0.65  molprobity     1  True   
 42   42  m         -60.1   -41.4  Favored   5   6  0.81   8  0.92  molprobity     1  True   
 43   43  t         -66.2   -36.9  Favored   7   7  0.53  10  0.94  molprobity     1  True   
 44   44  t         -62.6   -45.8  Favored   9   7  0.60  10  0.73  molprobity     1  True   
 45   45  OUTLIER   -63.7   -44.6  Favored  13   9  0.63  11  0.90  molprobity     1  True   
 46   46  mtt-85    -64.2   -42.2  Favored  13  11  1.83  14  1.12  molprobity     1  True   
 47   47  p         -65.2   -31.1  Favored   9   7  0.62  10  0.92  molprobity     1  True   
 48   48  mt        -61.5   -42.5  Favored  11   8  0.65  11  0.62  molprobity     1  True   
 49   49  m-85      -63.0   -41.6  Favored   9  13  1.13  18  0.74  molprobity     1  True   
 50   50  mtp180    -60.7   -43.5  Favored  13  11  1.74  14  1.06  molprobity     1  True   
 51   51  m-70      -75.5   -21.4  Favored   7  11  0.47  15  0.77  molprobity     1  True   
 52   52  m120      -65.7   -44.1  Favored   6   8  0.88  11  0.88  molprobity     1  True   
 53   53  mm?       -66.3   -45.1  Favored  11   8  0.67  11  1.37  molprobity     ?  False  
 54   54  pttt     -137.7   126.3  Favored  13   9  0.74  11  1.04  molprobity     ?  False  
 55   55  ?        -104.0   123.4  Favored   3   4  0.64   5  1.06  molprobity     ?  False  
 56   56  tmm_?    -104.1   123.1  Favored  13  11  1.81  14  1.32  molprobity     ?  False  
 57   57  t        -148.1   143.0  Favored   5   6  0.90   8  0.74  molprobity     ?  False  
 58   58  ?        -125.1    41.4  Favored   5   5  0.61   7  0.60  molprobity     ?  False  
 59   59  tpp180   -131.3   150.2  Favored  13  11  1.76  14  1.53  molprobity     ?  False  
 60   60  mttt       60.6  -125.2  Allowed  13   9  0.59  11  0.67  molprobity     ?  False  
 61   61  pt?       -66.3   -30.6  Favored  11   8  0.76  11  1.19  molprobity     ?  False  
 62   62  pt-20         ?       ?  ?         6   9  1.21   9  0.93  molprobity     ?  False  
 63   63  ?             ?       ?  ?         7   5  1.07   7  1.37  molprobity     ?  False  
 64   64  m         -76.9    -5.8  Favored   5   6  0.73   8  1.01  molprobity     ?  False  
 65   65  mtp       -72.2   113.4  Favored   9   8  0.64  10  0.65  molprobity     ?  False  
 66   66  p        -140.4   135.2  Favored   9   7  0.66  10  0.76  molprobity     ?  False  
 67   67  mt       -123.0   -48.4  Favored  11   8  0.64  11  0.58  molprobity     ?  False  
 68   68  m        -108.4   128.1  Favored   5   6  0.68   9  1.16  molprobity     ?  False  
 69   69  Cg_endo   -65.6   -33.7  Favored   7   8  0.84  11  0.82  molprobity     ?  False  
 70   70  mtt180   -100.7   -46.4  Favored  13  11  1.20  14  2.21  molprobity     ?  False  
 71   71  t70       -63.4   -45.7  Favored   4   8  0.60  11  0.61  molprobity     ?  False  
 72   72  mm-40     -68.0   -38.5  Favored   6   9  0.93  12  0.65  molprobity     1  True   
 73   73  ttt180    -61.1   -46.4  Favored  13  11  1.76  14  0.87  molprobity     1  True   
 74   74  m         -66.9   -45.6  Favored   7   7  0.51  10  1.05  molprobity     1  True   
 75   75  tp        -60.2   -46.9  Favored  11   8  0.67  11  0.94  molprobity     1  True   
 76   76  t         -64.2   -45.9  Favored   9   7  0.65  10  0.94  molprobity     1  True   
 77   77  mmm180    -67.0   -47.1  Favored  13  11  1.79  14  1.04  molprobity     1  True   
 78   78  tppt?     -66.7   -44.6  Favored  13   9  0.59  11  0.67  molprobity     1  True   
 79   79  t         -65.0   -39.6  Favored   9   7  0.67  10  1.03  molprobity     1  True   
 80   80  tp-100    -62.5   -43.7  Favored   8   9  0.86  12  0.58  molprobity     1  True   
 81   81  mm        -67.4   -46.8  Favored  11   8  0.52  11  0.51  molprobity     1  True   
 82   82  t-20     -128.5    84.7  Favored   6   8  0.77  12  0.94  molprobity     1  True   
 83   83  Cg_endo   -75.5    -6.6  Favored   7   8  0.46  11  0.73  molprobity     1  True   
 84   84  ttp85     -63.7   -37.7  Favored  13  11  1.83  14  0.90  molprobity     1  True   
 85   85  t         -65.2   157.9  Favored   7   7  0.42  10  0.93  molprobity     1  True   
 86   86  t        -135.4   175.3  Favored   7   7  0.42  10  0.98  molprobity     1  True   
 87   87  ?         -60.1   -29.4  Favored   5   5  0.60   7  0.82  molprobity     1  True   
 88   88  mttt      -61.6   -40.4  Favored  13   9  0.54  11  0.58  molprobity     1  True   
 89   89  t70       -66.7   -43.8  Favored   4   8  0.58  11  0.66  molprobity     1  True   
 90   90  mm?       -61.8   -45.4  Favored  11   8  0.80  11  1.26  molprobity     1  True   
 91   91  p         -62.9   -41.4  Favored   9   7  0.55  10  0.86  molprobity     1  True   
 92   92  tttm      -64.0   -45.7  Favored  13   9  0.57  11  0.70  molprobity     1  True   
 93   93  ttp       -64.5   -44.3  Favored   9   8  0.66  10  0.86  molprobity     1  True   
 94   94  pp        -67.8   -35.4  Favored  11   8  0.77  11  0.90  molprobity     1  True   
 95   95  mt-10     -65.3   -42.6  Favored   6   9  0.85  12  0.62  molprobity     1  True   
 96   96  tp10      -62.8   -43.0  Favored   6   9  0.88  12  0.67  molprobity     1  True   
 97   97  m         -63.4   -44.0  Favored   7   7  0.70  10  0.94  molprobity     1  True   
 98   98  ?         105.0    18.6  Favored   3   4  0.48   5  0.55  molprobity     1  True   
 99   99  m        -115.5   126.1  Favored   7   7  0.52  10  1.04  molprobity     1  True   
100  100  mttt      -96.0   128.4  Favored  13   9  0.51  11  0.73  molprobity     1  True   
101  101  m        -134.8   162.0  Favored   9   7  0.58  10  0.88  molprobity     1  True   
102  102  m         -68.9   145.1  Favored   5   6  0.69   8  1.00  molprobity     1  True   
103  103  mm        -63.8   -42.9  Favored  11   8  0.50  11  0.62  molprobity     1  True   
104  104  m         -61.9   -42.1  Favored   5   6  0.75   8  0.93  molprobity     1  True   
105  105  t         -66.8   -39.5  Favored   7   7  0.50  10  0.96  molprobity     1  True   
106  106  m         -69.7   -37.2  Favored   9   7  0.60  10  1.07  molprobity     1  True   
107  107  ttmt      -62.4   -43.0  Favored  13   9  0.57  11  0.81  molprobity     1  True   
108  108  ttt180    -59.8   -45.4  Favored  13  11  1.75  14  1.11  molprobity     1  True   
109  109  t         -62.5   -44.4  Favored   9   7  0.68  10  0.81  molprobity     1  True   
110  110  mt        -61.9   -45.6  Favored  11   8  0.55  11  0.67  molprobity     1  True   
111  111  t80       -62.9   -45.6  Favored   9  13  1.12  18  0.99  molprobity     1  True   
112  112  mtt-85    -63.1   -44.1  Favored  13  11  1.81  14  0.97  molprobity     1  True   
113  113  t-80      -64.1   -36.0  Favored   7  11  0.51  15  0.79  molprobity     1  True   
114  114  m120      -64.7   -44.7  Favored   6   8  0.86  11  0.94  molprobity     1  True   
115  115  tm?       -67.5   -46.8  Favored  11   8  0.75  11  1.19  molprobity     ?  False  
116  116  pttp     -114.9   127.0  Favored  13   9  0.82  11  0.95  molprobity     ?  False  
117  117  ?         -84.1    92.4  Allowed   3   4  0.56   5  1.26  molprobity     ?  False  
118  118  tpt180    -58.1   -39.7  Favored  13  11  1.74  14  1.24  molprobity     ?  False  
119  119  p         -65.0   -21.6  Favored   5   6  0.92   8  0.80  molprobity     ?  False  
120  120  ?        -103.4   -64.8  Allowed   5   5  0.69   7  0.44  molprobity     ?  False  
121  121  ptt-85   -159.6   161.8  Favored  13  11  1.84  14  0.95  molprobity     ?  False  
122  122  tptp      -63.8   -42.9  Favored  13   9  0.66  11  1.07  molprobity     ?  False  
123  123  tt         74.5   121.5  OUTLIER  11   8  0.71  11  1.12  molprobity     ?  False  
124  124  tt0           ?       ?  ?         6   9  1.18   9  0.74  molprobity     ?  False  
125  125  ?             ?       ?  ?         7   5  0.73   7  1.11  molprobity     ?  False  
126  126  p        -140.6   157.8  Favored   5   6  0.58   8  0.56  molprobity     ?  False  
127  127  mtt      -141.4   172.3  Favored   9   8  0.52  10  0.52  molprobity     ?  False  
128  128  t         -70.8   -13.0  Favored   9   7  0.71  10  1.17  molprobity     ?  False  
129  129  tt        -75.7   -22.8  Favored  11   8  0.62  11  1.01  molprobity     ?  False  
130  130  m         -76.3   159.1  Favored   5   6  0.58   9  0.71  molprobity     ?  False  
131  131  Cg_endo   -71.8    62.2  Favored   7   8  0.88  11  1.67  molprobity     ?  False  
132  132  mtt-85   -152.0    23.7  Allowed  13  11  1.21  14  2.28  molprobity     ?  False  
133  133  p-10      -57.0   -52.9  Favored   4   8  0.55  11  0.98  molprobity     ?  False  
134  134  tm-20     -45.2   -45.1  Favored   6   9  1.06  12  0.78  molprobity     1  True   
135  135  tpt180    -69.2   -28.1  Favored  13  11  0.74  14  1.06  molprobity     1  True   
136  136  m         -84.8   -45.0  Favored   7   7  0.38  10  0.93  molprobity     1  True   
137  137  tm?       -55.1   -58.3  Favored  11   8  0.46  11  1.20  molprobity     1  True   
138  138  t         -62.5   -45.1  Favored   9   7  0.40  10  1.03  molprobity     1  True   
139  139  tpt180    -73.1   -33.6  Favored  13  11  0.93  14  2.16  molprobity     1  True   
140  140  tttt      -63.1   -47.3  Favored  13   9  0.68  11  0.42  molprobity     1  True   
141  141  t         -61.6   -39.2  Favored   9   7  0.63  10  0.94  molprobity     1  True   
142  142  tt0       -67.2   -19.8  Favored   8   9  0.41  12  1.08  molprobity     1  True   
143  143  pt       -101.7   -32.8  Favored  11   8  0.57  11  0.70  molprobity     1  True   
144  144  m120     -115.7    76.3  Favored   6   8  0.67  12  0.76  molprobity     1  True   
145  145  Cg_endo   -66.6    -6.3  Favored   7   8  0.62  11  0.99  molprobity     1  True   
146  146  mtt85     -80.3    -9.7  Favored  13  11  0.99  14  1.68  molprobity     1  True   
147  147  m         -65.5   115.9  Favored   7   7  0.53  10  1.06  molprobity     1  True   
148  148  p         -94.9   176.0  Favored   7   7  0.57  10  1.02  molprobity     1  True   
149  149  ?         -63.5   -14.7  Favored   5   5  0.62   7  1.07  molprobity     1  True   
150  150  mmtt      -87.0   -35.7  Favored  13   9  0.56  11  0.59  molprobity     1  True   
151  151  m-20      -56.7   -32.8  Favored   4   8  0.57  11  1.26  molprobity     1  True   
152  152  mp        -82.8   -29.0  Favored  11   8  0.33  11  1.25  molprobity     1  True   
153  153  t         -55.4   -57.5  Favored   9   7  0.49  10  1.21  molprobity     1  True   
154  154  mttm      -50.4   -58.0  Favored  13   9  0.39  11  0.82  molprobity     1  True   
155  155  ttp       -67.7     9.4  Allowed   9   8  0.63  10  1.14  molprobity     1  True   
156  156  mt       -125.2   -41.5  Favored  11   8  0.45  11  0.95  molprobity     1  True   
157  157  tt0       -61.1   -45.1  Favored   6   9  0.65  12  1.63  molprobity     1  True   
158  158  mt-10     -68.7    -3.3  Favored   6   9  1.19  12  1.09  molprobity     1  True   
159  159  p        -132.9     9.7  Favored   7   7  0.65  10  1.23  molprobity     1  True   
160  160  ?          61.9    15.8  Favored   3   4  1.28   5  0.91  molprobity     1  True   
161  161  m         -74.3   121.8  Favored   7   7  0.48  10  1.01  molprobity     1  True   
162  162  mttp      -73.6    70.8  Allowed  13   9  0.65  11  0.68  molprobity     1  True   
163  163  t        -119.7   133.6  Favored   9   7  0.46  10  1.09  molprobity     1  True   
164  164  t         -79.1   124.9  Favored   5   6  0.50   8  0.54  molprobity     1  True   
165  165  mm        -54.7   -30.0  Favored  11   8  0.59  11  0.64  molprobity     1  True   
166  166  p         -74.3   -16.0  Favored   5   6  0.43   8  0.80  molprobity     1  True   
167  167  t         -95.1   -41.7  Favored   7   7  0.64  10  1.46  molprobity     1  True   
168  168  m         -59.8   -35.7  Favored   9   7  0.49  10  1.01  molprobity     1  True   
169  169  tmtt?     -58.9   -25.0  Favored  13   9  0.68  11  0.72  molprobity     1  True   
170  170  mtt180    -87.3   -36.4  Favored  13  11  1.02  14  2.16  molprobity     1  True   
171  171  t         -60.4   -46.3  Favored   9   7  0.57  10  0.84  molprobity     1  True   
172  172  mt        -51.1   -48.7  Favored  11   8  0.54  11  0.54  molprobity     1  True   
173  173  t80       -67.7   -40.8  Favored   9  13  1.51  18  1.11  molprobity     1  True   
174  174  mtm180    -66.3   -34.4  Favored  13  11  0.91  14  1.44  molprobity     1  True   
175  175  t-80      -65.7   -49.2  Favored   7  11  0.66  15  0.77  molprobity     1  True   
176  176  t-20      -61.6   -44.4  Favored   6   8  0.55  11  1.09  molprobity     1  True   
177  177  tp        -93.1   -28.4  Favored  11   8  0.48  11  0.82  molprobity     ?  False  
178  178  tptp     -140.1     7.5  Favored  13   9  0.65  11  1.33  molprobity     ?  False  
179  179  ?          54.3    45.6  Favored   3   4  0.77   5  0.67  molprobity     ?  False  
180  180  tpp85    -149.4   123.8  Favored  13  11  0.90  14  2.05  molprobity     ?  False  
181  181  t        -137.4    81.3  Allowed   5   6  0.45   8  1.03  molprobity     ?  False  
182  182  ?         -74.1   -64.8  Allowed   5   5  0.38   7  1.13  molprobity     ?  False  
183  183  mtt-85   -139.1    37.4  Favored  13  11  0.94  14  1.43  molprobity     ?  False  
184  184  mttt       69.4   -48.8  Allowed  13   9  0.75  11  1.29  molprobity     ?  False  
185  185  mt        -80.9  -175.9  Favored  11   8  0.59  11  1.04  molprobity     ?  False  
186  186  mt-10         ?       ?  ?         6   9  1.46   9  1.51  molprobity     ?  False  
187  187  ?             ?       ?  ?         7   5  1.14   7  1.29  molprobity     ?  False  
188  188  p        -131.9   136.6  Favored   5   6  1.05   8  0.63  molprobity     ?  False  
189  189  mtp      -138.4   142.1  Favored   9   8  0.67  10  0.87  molprobity     ?  False  
190  190  m         -76.2   -26.2  Favored   9   7  0.66  10  0.87  molprobity     ?  False  
191  191  tp        -64.8   -44.3  Favored  11   8  0.57  11  0.75  molprobity     ?  False  
192  192  m         -69.7   154.1  Favored   5   6  0.78   9  1.00  molprobity     ?  False  
193  193  Cg_endo   -70.8    -4.8  Favored   7   8  0.42  11  0.84  molprobity     ?  False  
194  194  tpt180    -63.7   -16.2  Favored  13  11  1.79  14  1.04  molprobity     ?  False  
195  195  p-10      -60.1   -18.6  Favored   4   8  0.70  11  1.02  molprobity     ?  False  
196  196  tt0       -59.8   -39.8  Favored   6   9  0.84  12  0.67  molprobity     1  True   
197  197  OUTLIER   -61.2   -45.3  Favored  13  11  1.85  14  1.17  molprobity     1  True   
198  198  m         -63.0   -45.1  Favored   7   7  0.47  10  0.79  molprobity     1  True   
199  199  tt        -62.4   -45.0  Favored  11   8  0.69  11  1.48  molprobity     1  True   
200  200  t         -63.0   -43.0  Favored   9   7  0.65  10  0.83  molprobity     1  True   
201  201  ttp-105   -62.8   -44.1  Favored  13  11  1.84  14  0.89  molprobity     1  True   
202  202  mmtt      -60.9   -45.2  Favored  13   9  0.58  11  0.93  molprobity     1  True   
203  203  m         -68.0   -28.3  Favored   9   7  0.61  10  0.94  molprobity     1  True   
204  204  mt-30     -67.1   -44.4  Favored   8   9  0.75  12  0.53  molprobity     1  True   
205  205  mt        -67.2   -45.9  Favored  11   8  0.49  11  0.51  molprobity     1  True   
206  206  OUTLIER  -126.6    75.4  Favored   6   8  0.90  12  1.19  molprobity     1  True   
207  207  Cg_endo   -74.9    -6.8  Favored   7   8  0.44  11  0.87  molprobity     1  True   
208  208  OUTLIER   -66.6   -16.8  Favored  13  11  1.80  14  1.30  molprobity     1  True   
209  209  m         -62.2   127.1  Favored   7   7  0.40  10  0.85  molprobity     1  True   
210  210  m        -119.5   162.4  Favored   7   7  0.51  10  1.27  molprobity     1  True   
211  211  ?         -59.0   -19.8  Favored   5   5  0.59   7  0.93  molprobity     1  True   
212  212  tttt      -59.4   -41.2  Favored  13   9  0.53  11  0.68  molprobity     1  True   
213  213  m-20      -65.2   -41.8  Favored   4   8  0.47  11  0.79  molprobity     1  True   
214  214  mm?       -63.5   -45.1  Favored  11   8  0.72  11  1.10  molprobity     1  True   
215  215  p         -62.5   -39.0  Favored   9   7  0.59  10  0.84  molprobity     1  True   
216  216  mtpt      -62.4   -46.0  Favored  13   9  0.60  11  0.75  molprobity     1  True   
217  217  mtm       -67.4   -46.0  Favored   9   8  0.67  10  0.73  molprobity     1  True   
218  218  mt        -67.4   -45.0  Favored  11   8  0.67  11  0.54  molprobity     1  True   
219  219  tt0       -67.0   -42.5  Favored   6   9  0.79  12  0.51  molprobity     1  True   
220  220  mm-40     -63.8   -41.7  Favored   6   9  0.83  12  0.55  molprobity     1  True   
221  221  m         -63.7   -43.9  Favored   7   7  0.69  10  0.96  molprobity     1  True   
222  222  ?          96.3    26.0  Favored   3   4  0.46   5  0.42  molprobity     1  True   
223  223  m         -96.8   128.6  Favored   7   7  0.45  10  1.27  molprobity     1  True   
224  224  mmtt      -83.3    77.8  Favored  13   9  0.56  11  0.76  molprobity     1  True   
225  225  t        -116.5   133.2  Favored   9   7  0.62  10  0.78  molprobity     1  True   
226  226  t         -77.7   146.0  Favored   5   6  1.04   8  0.89  molprobity     1  True   
227  227  mm        -63.8   -42.5  Favored  11   8  0.54  11  0.61  molprobity     1  True   
228  228  t         -62.4   -44.0  Favored   5   6  0.95   8  0.60  molprobity     1  True   
229  229  p         -68.0   -39.8  Favored   7   7  0.52  10  1.33  molprobity     1  True   
230  230  m         -66.7   -37.4  Favored   9   7  0.52  10  1.19  molprobity     1  True   
231  231  tttm      -62.3   -46.1  Favored  13   9  0.58  11  0.66  molprobity     1  True   
232  232  mtm180    -64.8   -43.6  Favored  13  11  1.69  14  1.71  molprobity     1  True   
233  233  p         -65.5   -37.2  Favored   9   7  0.59  10  0.79  molprobity     1  True   
234  234  mt        -62.1   -44.2  Favored  11   8  0.59  11  0.60  molprobity     1  True   
235  235  t80       -61.8   -46.5  Favored   9  13  1.13  18  0.74  molprobity     1  True   
236  236  mtp180    -63.1   -45.3  Favored  13  11  1.76  14  0.94  molprobity     1  True   
237  237  m170      -69.0   -32.6  Favored   7  11  0.48  15  0.78  molprobity     1  True   
238  238  OUTLIER   -63.6   -44.8  Favored   6   8  0.92  11  0.95  molprobity     1  True   
239  239  tt        -68.8   -45.5  Favored  11   8  0.67  11  0.91  molprobity     ?  False  
240  240  ttmt     -125.0   115.8  Favored  13   9  0.69  11  1.02  molprobity     ?  False  
241  241  ?         -88.6    61.4  Favored   3   4  0.38   5  0.70  molprobity     ?  False  
242  242  mpt_?    -126.9   148.7  Favored  13  11  1.81  14  1.20  molprobity     ?  False  
243  243  t         -81.2   144.5  Favored   5   6  0.91   8  0.58  molprobity     ?  False  
244  244  ?         -98.8   131.0  Favored   5   5  0.62   7  0.55  molprobity     ?  False  
245  245  mtt180   -130.8   131.0  Favored  13  11  1.73  14  1.08  molprobity     ?  False  
246  246  OUTLIER   -68.6   -28.2  Favored  13   9  0.69  11  1.19  molprobity     ?  False  
247  247  tt        -62.8   -40.7  Favored  11   8  0.69  11  0.90  molprobity     ?  False  
248  248  tp10          ?       ?  ?         6   9  1.30   9  0.85  molprobity     ?  False  
249  249  ?             ?       ?  ?         7   5  1.11   7  1.23  molprobity     ?  False  
250  250  t         -82.2    -5.0  Favored   5   6  0.94   8  0.93  molprobity     ?  False  
251  251  mtt        72.8    -0.1  Favored   9   8  0.69  10  1.45  molprobity     ?  False  
252  252  t         -65.7   -41.3  Favored   9   7  0.59  10  0.87  molprobity     ?  False  
253  253  mp        -63.8   -38.7  Favored  11   8  0.68  11  0.85  molprobity     ?  False  
254  254  m         -66.0   158.1  Favored   5   6  0.83   9  1.05  molprobity     ?  False  
255  255  Cg_endo   -66.6   -11.3  Favored   7   8  0.44  11  0.79  molprobity     ?  False  
256  256  mtm180    -82.5    43.9  Allowed  13  11  1.85  14  1.04  molprobity     ?  False  
257  257  p-10      -66.7   -38.2  Favored   4   8  0.72  11  1.30  molprobity     ?  False  
258  258  tt0       -60.8   -40.5  Favored   6   9  0.85  12  0.55  molprobity     1  True   
259  259  ttt-85    -61.0   -47.2  Favored  13  11  1.84  14  0.92  molprobity     1  True   
260  260  m         -63.9   -44.7  Favored   7   7  0.47  10  0.89  molprobity     1  True   
261  261  tt        -62.6   -46.2  Favored  11   8  0.66  11  0.89  molprobity     1  True   
262  262  p         -69.2   -36.3  Favored   9   7  0.59  10  0.90  molprobity     1  True   
263  263  ttt85     -62.4   -46.1  Favored  13  11  1.80  14  0.90  molprobity     1  True   
264  264  tptm      -62.7   -44.6  Favored  13   9  0.59  11  0.67  molprobity     1  True   
265  265  m         -68.1   -34.9  Favored   9   7  0.59  10  0.91  molprobity     1  True   
266  266  mt-30     -67.6   -43.5  Favored   8   9  0.78  12  0.52  molprobity     1  True   
267  267  mm        -66.1   -46.1  Favored  11   8  0.57  11  0.56  molprobity     1  True   
268  268  m-20     -117.1    84.5  Favored   6   8  0.77  12  0.82  molprobity     1  True   
269  269  Cg_endo   -69.8   -11.3  Favored   7   8  0.43  11  0.87  molprobity     1  True   
270  270  mtt180    -67.6   -25.5  Favored  13  11  1.23  14  2.21  molprobity     1  True   
271  271  p         -76.8   160.7  Favored   7   7  0.40  10  1.19  molprobity     1  True   
272  272  p        -123.7   170.2  Favored   7   7  0.44  10  1.34  molprobity     1  True   
273  273  ?         -58.5   -31.4  Favored   5   5  0.58   7  0.74  molprobity     1  True   
274  274  mttm      -63.1   -27.9  Favored  13   9  0.52  11  0.74  molprobity     1  True   
275  275  m-20      -64.5   -43.5  Favored   4   8  0.47  11  0.81  molprobity     1  True   
276  276  mp        -66.7   -41.7  Favored  11   8  0.77  11  0.99  molprobity     1  True   
277  277  m         -64.2   -38.6  Favored   9   7  0.60  10  1.19  molprobity     1  True   
278  278  tttt      -63.4   -44.8  Favored  13   9  0.60  11  0.66  molprobity     1  True   
279  279  tmm?      -61.0   -46.4  Favored   9   8  0.65  10  1.17  molprobity     1  True   
280  280  mt        -65.8   -42.8  Favored  11   8  0.61  11  0.94  molprobity     1  True   
281  281  tt0       -64.6   -45.1  Favored   6   9  0.85  12  0.75  molprobity     1  True   
282  282  tt0       -62.7   -42.0  Favored   6   9  0.86  12  0.59  molprobity     1  True   
283  283  p         -77.5   -12.0  Favored   7   7  0.64  10  1.10  molprobity     1  True   
284  284  ?          78.4    35.7  Favored   3   4  0.50   5  0.52  molprobity     1  True   
285  285  t        -109.9   145.6  Favored   7   7  0.38  10  0.81  molprobity     1  True   
286  286  ttmp?     -97.2   101.8  Favored  13   9  0.64  11  0.81  molprobity     1  True   
287  287  t        -130.7   133.1  Favored   9   7  0.64  10  0.79  molprobity     1  True   
288  288  t         -69.3   128.7  Favored   5   6  1.01   8  0.85  molprobity     1  True   
289  289  mm        -64.6   -41.2  Favored  11   8  0.56  11  0.52  molprobity     1  True   
290  290  t         -60.8   -43.0  Favored   5   6  0.99   8  0.53  molprobity     1  True   
291  291  m         -62.0   -44.6  Favored   7   7  0.46  10  0.84  molprobity     1  True   
292  292  t         -61.6   -45.8  Favored   9   7  0.55  10  0.92  molprobity     1  True   
293  293  ttmt      -62.1   -41.8  Favored  13   9  0.61  11  0.68  molprobity     1  True   
294  294  ttt-85    -60.3   -39.3  Favored  13  11  1.83  14  0.99  molprobity     1  True   
295  295  t         -59.8   -43.2  Favored   9   7  0.71  10  0.97  molprobity     1  True   
296  296  mp        -62.2   -43.8  Favored  11   8  0.66  11  1.09  molprobity     1  True   
297  297  m-85      -63.5   -42.5  Favored   9  13  1.14  18  1.41  molprobity     1  True   
298  298  ttp180    -62.5   -46.1  Favored  13  11  1.72  14  1.06  molprobity     1  True   
299  299  m-70      -65.6   -37.7  Favored   7  11  0.52  15  0.95  molprobity     1  True   
300  300  m-20      -64.0   -43.3  Favored   6   8  0.82  11  0.73  molprobity     1  True   
301  301  tp        -68.3   -46.5  Favored  11   8  0.59  11  0.71  molprobity     ?  False  
302  302  ttmm     -120.5   118.6  Favored  13   9  0.73  11  0.99  molprobity     ?  False  
303  303  ?         -83.7    76.4  Favored   3   4  0.55   5  0.38  molprobity     ?  False  
304  304  mtp85     -71.0   124.1  Favored  13  11  1.80  14  1.37  molprobity     ?  False  
305  305  t        -152.6   140.1  Favored   5   6  0.97   8  1.10  molprobity     ?  False  
306  306  ?          65.3   -71.2  Allowed   5   5  0.67   7  0.85  molprobity     ?  False  
307  307  ttm-85   -132.9   -91.1  Allowed  13  11  1.82  14  1.51  molprobity     ?  False  
308  308  mtmm     -135.5   -50.4  Allowed  13   9  0.70  11  1.08  molprobity     ?  False  
309  309  mt         51.6    47.3  Favored  11   8  0.59  11  1.08  molprobity     ?  False  
310  310  mt-10         ?       ?  ?         6   9  1.18   9  0.60  molprobity     ?  False  
311  311  ?             ?       ?  ?         7   5  1.09   7  1.19  molprobity     ?  False  
312  312  p         -79.3   156.5  Favored   5   6  0.94   8  0.48  molprobity     ?  False  
313  313  mmm       -87.2   137.1  Favored   9   8  0.66  10  0.81  molprobity     ?  False  
314  314  m        -124.2   145.4  Favored   9   7  0.68  10  0.93  molprobity     ?  False  
315  315  mp        -64.6   -41.6  Favored  11   8  0.66  11  0.88  molprobity     ?  False  
316  316  p        -138.9   148.1  Favored   5   6  1.02   9  0.98  molprobity     ?  False  
317  317  Cg_endo   -75.8   -15.1  Favored   7   8  0.49  11  0.55  molprobity     ?  False  
318  318  mmm180    -92.0   -45.8  Favored  13  11  1.83  14  0.97  molprobity     ?  False  
319  319  m-20      -97.8   -48.6  Favored   4   8  0.50  11  0.70  molprobity     ?  False  
320  320  tp10      -69.2   -43.4  Favored   6   9  0.91  12  0.63  molprobity     1  True   
321  321  ttm-85    -62.0   -44.2  Favored  13  11  1.83  14  0.84  molprobity     1  True   
322  322  m         -62.2   -44.5  Favored   7   7  0.46  10  0.91  molprobity     1  True   
323  323  tp        -60.8   -46.4  Favored  11   8  0.63  11  0.56  molprobity     1  True   
324  324  t         -64.1   -46.7  Favored   9   7  0.68  10  0.89  molprobity     1  True   
325  325  ppt_?     -68.7   -38.4  Favored  13  11  1.80  14  1.25  molprobity     1  True   
326  326  tppt?     -63.3   -47.4  Favored  13   9  0.66  11  0.75  molprobity     1  True   
327  327  p         -68.0   -37.1  Favored   9   7  0.61  10  0.83  molprobity     1  True   
328  328  tt0       -65.4   -44.1  Favored   8   9  0.78  12  0.64  molprobity     1  True   
329  329  mt        -66.3   -46.5  Favored  11   8  0.54  11  0.60  molprobity     1  True   
330  330  p30      -130.3    91.7  Favored   6   8  0.90  12  0.94  molprobity     1  True   
331  331  Cg_endo   -73.2   -12.1  Favored   7   8  0.45  11  0.67  molprobity     1  True   
332  332  mtt-85    -82.6    64.4  Favored  13  11  1.77  14  1.02  molprobity     1  True   
333  333  p        -131.2   161.8  Favored   7   7  0.42  10  1.21  molprobity     1  True   
334  334  p        -117.2   167.3  Favored   7   7  0.49  10  1.30  molprobity     1  True   
335  335  ?         -59.9   -28.6  Favored   5   5  0.62   7  0.77  molprobity     1  True   
336  336  mmtt      -60.0   -38.5  Favored  13   9  0.57  11  0.65  molprobity     1  True   
337  337  m-20      -63.1   -43.9  Favored   4   8  0.47  11  0.96  molprobity     1  True   
338  338  mp        -65.5   -39.9  Favored  11   8  0.67  11  1.18  molprobity     1  True   
339  339  t         -60.1   -44.9  Favored   9   7  0.63  10  0.76  molprobity     1  True   
340  340  mtmt      -62.8   -41.7  Favored  13   9  0.54  11  0.87  molprobity     1  True   
341  341  tmt?      -60.6   -45.5  Favored   9   8  0.71  10  1.20  molprobity     1  True   
342  342  mt        -65.0   -44.5  Favored  11   8  0.66  11  0.57  molprobity     1  True   
343  343  mt-10     -65.3   -42.7  Favored   6   9  0.86  12  0.66  molprobity     1  True   
344  344  tt0       -63.3   -43.5  Favored   6   9  0.83  12  0.60  molprobity     1  True   
345  345  m         -64.2   -43.7  Favored   7   7  0.68  10  0.86  molprobity     1  True   
346  346  ?          99.5    47.2  Allowed   3   4  0.55   5  0.37  molprobity     1  True   
347  347  t        -137.5   155.2  Favored   7   7  0.42  10  0.78  molprobity     1  True   
348  348  mtpt     -108.8   119.7  Favored  13   9  0.59  11  0.77  molprobity     1  True   
349  349  t        -128.4   133.9  Favored   9   7  0.68  10  1.02  molprobity     1  True   
350  350  m         -64.4   127.0  Favored   5   6  0.76   8  0.99  molprobity     1  True   
351  351  mm        -64.1   -42.9  Favored  11   8  0.57  11  0.56  molprobity     1  True   
352  352  m         -60.6   -42.2  Favored   5   6  0.78   8  0.87  molprobity     1  True   
353  353  m         -62.6   -44.5  Favored   7   7  0.47  10  0.80  molprobity     1  True   
354  354  t         -62.3   -46.9  Favored   9   7  0.56  10  0.78  molprobity     1  True   
355  355  tttp      -64.8   -43.8  Favored  13   9  0.56  11  0.66  molprobity     1  True   
356  356  mmp_?     -62.2   -46.2  Favored  13  11  1.78  14  1.07  molprobity     1  True   
357  357  p         -67.0   -38.9  Favored   9   7  0.66  10  0.85  molprobity     1  True   
358  358  tt        -63.9   -47.6  Favored  11   8  0.66  11  0.99  molprobity     1  True   
359  359  m-85      -71.9   -47.7  Favored   9  13  1.15  18  2.05  molprobity     1  True   
360  360  ttp180    -65.2   -45.3  Favored  13  11  1.74  14  1.03  molprobity     1  True   
361  361  m170      -65.5   -39.9  Favored   7  11  0.47  15  0.76  molprobity     1  True   
362  362  m-80      -66.3   -43.4  Favored   6   8  0.74  11  0.74  molprobity     1  True   
363  363  tm?       -75.5   -44.3  Favored  11   8  0.69  11  1.21  molprobity     ?  False  
364  364  ttmt     -125.8   131.8  Favored  13   9  0.72  11  1.18  molprobity     ?  False  
365  365  ?         -80.4    94.6  Allowed   3   4  0.44   5  0.68  molprobity     ?  False  
366  366  mmm180    -80.8    72.8  Favored  13  11  1.82  14  1.37  molprobity     ?  False  
367  367  t          64.1  -163.7  Allowed   5   6  1.08   8  0.71  molprobity     ?  False  
368  368  ?        -134.7   -67.4  Allowed   5   5  0.73   7  0.67  molprobity     ?  False  
369  369  OUTLIER    58.1  -119.3  Allowed  13  11  1.85  14  1.29  molprobity     ?  False  
370  370  mttt     -104.5   137.4  Favored  13   9  0.61  11  0.92  molprobity     ?  False  
371  371  mm?        68.0   -48.8  Allowed  11   8  0.72  11  1.24  molprobity     ?  False  
372  372  tt0           ?       ?  ?         6   9  1.19   9  0.62  molprobity     ?  False  
373  373  ?             ?       ?  ?         7   5  1.13   7  1.30  molprobity     ?  False  
374  374  m         -65.2   142.0  Favored   5   6  0.70   8  0.72  molprobity     ?  False  
375  375  mtp       -82.4   147.1  Favored   9   8  0.66  10  0.69  molprobity     ?  False  
376  376  p         -99.7   -21.1  Favored   9   7  0.57  10  0.87  molprobity     ?  False  
377  377  mm?       -64.5   -38.8  Favored  11   8  0.71  11  1.17  molprobity     ?  False  
378  378  p         -75.7   165.7  Favored   5   6  1.03   9  1.24  molprobity     ?  False  
379  379  Cg_endo   -73.3     2.1  Favored   7   8  0.36  11  0.83  molprobity     ?  False  
380  380  mtp180    -81.1     5.9  Favored  13  11  1.74  14  1.11  molprobity     ?  False  
381  381  p-10      -59.8   -36.4  Favored   4   8  0.64  11  0.73  molprobity     ?  False  
382  382  tt0       -61.8   -43.2  Favored   6   9  0.84  12  0.57  molprobity     1  True   
383  383  ttt180    -62.1   -43.9  Favored  13  11  1.76  14  0.89  molprobity     1  True   
384  384  m         -61.6   -45.3  Favored   7   7  0.45  10  0.77  molprobity     1  True   
385  385  tt        -63.9   -45.0  Favored  11   8  0.68  11  0.96  molprobity     1  True   
386  386  t         -62.1   -41.9  Favored   9   7  0.61  10  1.00  molprobity     1  True   
387  387  tpt180    -59.1   -44.0  Favored  13  11  1.79  14  1.05  molprobity     1  True   
388  388  mmtt      -62.1   -43.3  Favored  13   9  0.59  11  0.73  molprobity     1  True   
389  389  t         -63.6   -43.8  Favored   9   7  0.65  10  0.84  molprobity     1  True   
390  390  mt-30     -64.3   -43.6  Favored   8   9  0.79  12  0.70  molprobity     1  True   
391  391  mm        -65.2   -45.6  Favored  11   8  0.54  11  0.64  molprobity     1  True   
392  392  t30      -118.2    98.4  Favored   6   8  0.74  12  0.79  molprobity     1  True   
393  393  Cg_endo   -71.7   -11.4  Favored   7   8  0.45  11  0.62  molprobity     1  True   
394  394  mmt180    -84.8    -2.2  Favored  13  11  1.77  14  1.00  molprobity     1  True   
395  395  t         -70.8   151.4  Favored   7   7  0.40  10  0.88  molprobity     1  True   
396  396  p        -126.0   168.4  Favored   7   7  0.45  10  1.19  molprobity     1  True   
397  397  ?         -57.4   -34.3  Favored   5   5  0.51   7  0.93  molprobity     1  True   
398  398  mttp      -60.7   -39.4  Favored  13   9  0.54  11  0.75  molprobity     1  True   
399  399  m-20      -66.2   -43.6  Favored   4   8  0.49  11  0.72  molprobity     1  True   
400  400  mp        -64.9   -45.1  Favored  11   8  0.77  11  1.11  molprobity     1  True   
401  401  p         -63.9   -40.3  Favored   9   7  0.60  10  0.91  molprobity     1  True   
402  402  ttpt      -63.1   -45.1  Favored  13   9  0.59  11  0.62  molprobity     1  True   
403  403  tmm?      -62.5   -47.1  Favored   9   8  0.74  10  1.10  molprobity     1  True   
404  404  tp        -66.4   -45.7  Favored  11   8  0.62  11  0.91  molprobity     1  True   
405  405  tp10      -65.9   -43.8  Favored   6   9  0.94  12  0.69  molprobity     1  True   
406  406  tm-20     -63.4   -41.4  Favored   6   9  0.96  12  0.72  molprobity     1  True   
407  407  m         -62.5   -43.0  Favored   7   7  0.66  10  0.94  molprobity     1  True   
408  408  ?         117.8    34.6  Allowed   3   4  0.55   5  0.42  molprobity     1  True   
409  409  m        -117.4   130.7  Favored   7   7  0.47  10  0.87  molprobity     1  True   
410  410  mmmt      -98.0   115.3  Favored  13   9  0.61  11  0.83  molprobity     1  True   
411  411  t        -132.5   134.0  Favored   9   7  0.61  10  1.07  molprobity     1  True   
412  412  m         -66.3   140.9  Favored   5   6  0.77   8  0.97  molprobity     1  True   
413  413  mm        -63.9   -38.3  Favored  11   8  0.55  11  0.69  molprobity     1  True   
414  414  m         -58.3   -42.7  Favored   5   6  0.67   8  1.02  molprobity     1  True   
415  415  t         -72.7   -35.0  Favored   7   7  0.43  10  0.87  molprobity     1  True   
416  416  t         -63.0   -45.5  Favored   9   7  0.66  10  0.77  molprobity     1  True   
417  417  ptpt      -62.2   -37.5  Favored  13   9  0.62  11  1.11  molprobity     1  True   
418  418  mtt-85    -64.8   -40.3  Favored  13  11  1.84  14  1.08  molprobity     1  True   
419  419  t         -61.3   -46.4  Favored   9   7  0.70  10  0.88  molprobity     1  True   
420  420  mp        -64.4   -43.3  Favored  11   8  0.67  11  1.13  molprobity     1  True   
421  421  t80       -62.1   -46.5  Favored   9  13  1.15  18  0.72  molprobity     1  True   
422  422  ttm180    -62.5   -45.3  Favored  13  11  1.77  14  0.93  molprobity     1  True   
423  423  t-80      -68.2   -33.9  Favored   7  11  0.46  15  0.82  molprobity     1  True   
424  424  t-20      -63.9   -45.2  Favored   6   8  0.84  11  0.52  molprobity     1  True   
425  425  tm?       -66.4   -46.5  Favored  11   8  0.73  11  1.16  molprobity     ?  False  
426  426  ttmt     -116.0   119.7  Favored  13   9  0.71  11  0.91  molprobity     ?  False  
427  427  ?         -79.2    75.2  Favored   3   4  0.48   5  1.13  molprobity     ?  False  
428  428  ttt-85     55.4  -127.7  Favored  13  11  1.83  14  1.19  molprobity     ?  False  
429  429  t        -158.3   147.8  Favored   5   6  0.99   8  1.41  molprobity     ?  False  
430  430  ?          52.5    56.6  Favored   5   5  0.67   7  0.96  molprobity     ?  False  
431  431  mmt180    -63.7   138.4  Favored  13  11  1.75  14  1.11  molprobity     ?  False  
432  432  mttm     -118.2   132.6  Favored  13   9  0.66  11  1.09  molprobity     ?  False  
433  433  tp        -66.6   -44.0  Favored  11   8  0.56  11  0.61  molprobity     ?  False  
434  434  mt-10         ?       ?  ?         6   9  1.19   9  0.66  molprobity     ?  False  
435  435  ?             ?       ?  ?         7   5  1.07   7  1.33  molprobity     ?  False  
436  436  t         -61.0   -43.5  Favored   5   6  1.04   8  0.68  molprobity     ?  False  
437  437  ptm       -66.9   -23.0  Favored   9   8  0.72  10  1.05  molprobity     ?  False  
438  438  t         -66.7   -47.4  Favored   9   7  0.70  10  0.74  molprobity     ?  False  
439  439  mt         53.2  -120.1  Allowed  11   8  0.63  11  0.86  molprobity     ?  False  
440  440  m         -97.1   107.9  Favored   5   6  0.71   9  1.14  molprobity     ?  False  
441  441  Cg_endo   -71.8   -20.5  Favored   7   8  0.52  11  0.71  molprobity     ?  False  
442  442  ptt-85    -62.6   -40.0  Favored  13  11  1.83  14  1.03  molprobity     ?  False  
443  443  p-10      -93.8   -38.4  Favored   4   8  0.71  11  0.55  molprobity     ?  False  
444  444  tp10      -64.4   -44.4  Favored   6   9  0.87  12  0.74  molprobity     1  True   
445  445  ttm-85    -62.4   -44.5  Favored  13  11  1.83  14  0.87  molprobity     1  True   
446  446  m         -62.6   -45.6  Favored   7   7  0.46  10  0.69  molprobity     1  True   
447  447  tt        -63.7   -45.9  Favored  11   8  0.75  11  0.81  molprobity     1  True   
448  448  t         -62.9   -45.1  Favored   9   7  0.66  10  0.96  molprobity     1  True   
449  449  ttp180    -61.9   -44.2  Favored  13  11  1.77  14  0.91  molprobity     1  True   
450  450  mmpt?     -61.8   -45.1  Favored  13   9  0.59  11  0.77  molprobity     1  True   
451  451  m         -74.7   -30.4  Favored   9   7  0.57  10  1.01  molprobity     1  True   
452  452  tt0       -65.9   -45.9  Favored   8   9  0.81  12  0.56  molprobity     1  True   
453  453  mt        -67.1   -46.2  Favored  11   8  0.50  11  0.54  molprobity     1  True   
454  454  t-20     -125.6    95.3  Favored   6   8  0.80  12  0.84  molprobity     1  True   
455  455  Cg_endo   -71.5   -11.9  Favored   7   8  0.47  11  0.58  molprobity     1  True   
456  456  mmm180    -93.0     2.0  Favored  13  11  1.83  14  1.00  molprobity     1  True   
457  457  t         -66.1   140.7  Favored   7   7  0.33  10  1.00  molprobity     1  True   
458  458  p         -86.2   163.8  Favored   7   7  0.47  10  0.96  molprobity     1  True   
459  459  ?         -62.1   -29.8  Favored   5   5  0.61   7  0.78  molprobity     1  True   
460  460  mttt      -61.2   -39.7  Favored  13   9  0.56  11  0.64  molprobity     1  True   
461  461  t70       -62.8   -42.2  Favored   4   8  0.64  11  0.63  molprobity     1  True   
462  462  mp        -63.6   -42.7  Favored  11   8  0.72  11  1.07  molprobity     1  True   
463  463  t         -61.8   -43.8  Favored   9   7  0.68  10  0.88  molprobity     1  True   
464  464  mttm      -61.8   -45.1  Favored  13   9  0.56  11  0.79  molprobity     1  True   
465  465  ptt?      -69.4   -31.9  Favored   9   8  0.61  10  1.50  molprobity     1  True   
466  466  tp        -63.2   -44.7  Favored  11   8  0.57  11  0.57  molprobity     1  True   
467  467  mt-10     -62.7   -42.0  Favored   6   9  0.85  12  0.58  molprobity     1  True   
468  468  tt0       -62.8   -42.8  Favored   6   9  0.83  12  0.66  molprobity     1  True   
469  469  m         -63.4   -44.3  Favored   7   7  0.71  10  0.87  molprobity     1  True   
470  470  ?          93.3    16.6  Favored   3   4  0.40   5  0.53  molprobity     1  True   
471  471  m        -100.6   128.2  Favored   7   7  0.46  10  1.03  molprobity     1  True   
472  472  mmpt?     -84.7   123.5  Favored  13   9  0.61  11  0.81  molprobity     1  True   
473  473  m        -134.9   162.4  Favored   9   7  0.61  10  1.00  molprobity     1  True   
474  474  m         -77.2   141.7  Favored   5   6  0.82   8  0.90  molprobity     1  True   
475  475  mm        -64.0   -43.4  Favored  11   8  0.56  11  0.61  molprobity     1  True   
476  476  t         -60.8   -42.0  Favored   5   6  0.97   8  0.64  molprobity     1  True   
477  477  p         -67.2   -36.1  Favored   7   7  0.46  10  1.23  molprobity     1  True   
478  478  t         -62.9   -44.8  Favored   9   7  0.63  10  0.67  molprobity     1  True   
479  479  mtpt      -63.0   -42.1  Favored  13   9  0.60  11  0.73  molprobity     1  True   
480  480  ttt180    -61.1   -42.3  Favored  13  11  1.72  14  1.07  molprobity     1  True   
481  481  t         -61.5   -44.5  Favored   9   7  0.68  10  0.86  molprobity     1  True   
482  482  mt        -62.2   -45.2  Favored  11   8  0.58  11  0.84  molprobity     1  True   
483  483  m-85      -61.7   -45.6  Favored   9  13  1.16  18  2.11  molprobity     1  True   
484  484  tmm_?     -63.4   -46.6  Favored  13  11  1.80  14  0.97  molprobity     1  True   
485  485  t60       -65.5   -45.7  Favored   7  11  0.51  15  0.77  molprobity     1  True   
486  486  m120      -66.8   -43.5  Favored   6   8  0.87  11  0.98  molprobity     1  True   
487  487  tp        -70.4   -44.2  Favored  11   8  0.60  11  0.54  molprobity     ?  False  
488  488  tptm     -133.0   123.7  Favored  13   9  0.72  11  0.81  molprobity     ?  False  
489  489  ?         -90.1    91.9  Allowed   3   4  0.49   5  0.74  molprobity     ?  False  
490  490  mtp180    -79.2    57.2  Favored  13  11  1.80  14  0.79  molprobity     ?  False  
491  491  t         -67.4   -46.6  Favored   5   6  0.99   8  0.64  molprobity     ?  False  
492  492  ?         -76.6   -37.3  Favored   5   5  0.71   7  1.23  molprobity     ?  False  
493  493  ttm180     70.4   119.5  OUTLIER  13  11  1.76  14  1.13  molprobity     ?  False  
494  494  mtmt     -103.5   -45.6  Favored  13   9  0.54  11  0.78  molprobity     ?  False  
495  495  pt?      -147.5   158.6  Favored  11   8  0.84  11  0.98  molprobity     ?  False  
496  496  tt0           ?       ?  ?         6   9  1.17   9  0.58  molprobity     ?  False  
497  497  ?             ?       ?  ?         7   5  1.04   7  1.27  molprobity     ?  False  
498  498  m        -131.2   159.4  Favored   5   6  0.83   8  1.29  molprobity     ?  False  
499  499  ttt       -61.0   -37.0  Favored   9   8  0.58  10  1.35  molprobity     ?  False  
500  500  m         -86.7    18.7  Allowed   9   7  0.70  10  0.87  molprobity     ?  False  
501  501  tm?       -60.2   -45.1  Favored  11   8  0.75  11  1.29  molprobity     ?  False  
502  502  m        -120.1    90.1  Favored   5   6  0.75   9  1.23  molprobity     ?  False  
503  503  Cg_endo   -68.0   -22.0  Favored   7   8  0.52  11  0.70  molprobity     ?  False  
504  504  mmp_?     -61.2   -44.1  Favored  13  11  1.82  14  0.94  molprobity     ?  False  
505  505  m-20      -84.7   -46.1  Favored   4   8  0.51  11  0.87  molprobity     ?  False  
506  506  tp10      -65.2   -44.5  Favored   6   9  0.95  12  0.70  molprobity     1  True   
507  507  mtm105    -68.2   -39.1  Favored  13  11  1.85  14  0.99  molprobity     1  True   
508  508  m         -61.4   -43.8  Favored   7   7  0.45  10  0.89  molprobity     1  True   
509  509  tm?       -62.2   -48.5  Favored  11   8  0.71  11  1.28  molprobity     1  True   
510  510  m         -68.7   -39.3  Favored   9   7  0.63  10  1.05  molprobity     1  True   
511  511  tpp180    -61.8   -47.4  Favored  13  11  1.72  14  1.12  molprobity     1  True   
512  512  ttmm      -63.8   -44.8  Favored  13   9  0.62  11  0.62  molprobity     1  True   
513  513  t         -63.3   -43.6  Favored   9   7  0.68  10  0.89  molprobity     1  True   
514  514  tp-100    -64.3   -45.3  Favored   8   9  0.84  12  0.78  molprobity     1  True   
515  515  mm        -79.8   -43.5  Favored  11   8  0.52  11  0.70  molprobity     1  True   
516  516  m120     -117.1    84.1  Favored   6   8  0.77  12  0.95  molprobity     1  True   
517  517  Cg_endo   -75.2    -5.5  Favored   7   8  0.42  11  0.67  molprobity     1  True   
518  518  mtt180    -85.9     0.8  Favored  13  11  1.74  14  0.98  molprobity     1  True   
519  519  p         -76.0   160.0  Favored   7   7  0.38  10  1.21  molprobity     1  True   
520  520  m        -124.7   144.7  Favored   7   7  0.54  10  1.24  molprobity     1  True   
521  521  ?         -59.5   -17.7  Favored   5   5  0.53   7  0.91  molprobity     1  True   
522  522  mmmp?     -59.4   -40.6  Favored  13   9  0.64  11  0.64  molprobity     1  True   
523  523  t70       -64.5   -42.1  Favored   4   8  0.55  11  0.72  molprobity     1  True   
524  524  mp        -64.0   -46.3  Favored  11   8  0.64  11  1.40  molprobity     1  True   
525  525  m         -67.1   -35.0  Favored   9   7  0.51  10  0.99  molprobity     1  True   
526  526  ttpp      -62.0   -44.0  Favored  13   9  0.64  11  0.95  molprobity     1  True   
527  527  ttp       -61.7   -45.3  Favored   9   8  0.67  10  0.84  molprobity     1  True   
528  528  OUTLIER   -63.0   -43.5  Favored  11   8  0.72  11  1.29  molprobity     1  True   
529  529  mt-10     -63.3   -41.2  Favored   6   9  0.81  12  0.63  molprobity     1  True   
530  530  tt0       -62.1   -43.9  Favored   6   9  0.82  12  0.67  molprobity     1  True   
531  531  t         -75.7   -29.0  Favored   7   7  0.72  10  0.90  molprobity     1  True   
532  532  ?          97.5    15.5  Favored   3   4  0.50   5  0.53  molprobity     1  True   
533  533  m        -118.6   128.1  Favored   7   7  0.47  10  0.82  molprobity     1  True   
534  534  mtpt      -82.9   135.5  Favored  13   9  0.57  11  0.78  molprobity     1  True   
535  535  t        -124.0   130.4  Favored   9   7  0.66  10  0.94  molprobity     1  True   
536  536  m         -67.3   144.7  Favored   5   6  0.72   8  0.83  molprobity     1  True   
537  537  mm        -64.5   -39.8  Favored  11   8  0.53  11  0.70  molprobity     1  True   
538  538  p         -60.6   -36.8  Favored   5   6  0.98   8  0.86  molprobity     1  True   
539  539  p         -67.0   -37.9  Favored   7   7  0.42  10  1.25  molprobity     1  True   
540  540  t         -63.0   -43.9  Favored   9   7  0.68  10  0.62  molprobity     1  True   
541  541  mmtp      -61.3   -42.5  Favored  13   9  0.64  11  0.74  molprobity     1  True   
542  542  mtp85     -62.1   -41.9  Favored  13  11  1.81  14  1.49  molprobity     1  True   
543  543  t         -61.3   -44.8  Favored   9   7  0.61  10  0.77  molprobity     1  True   
544  544  mt        -63.1   -43.7  Favored  11   8  0.56  11  0.63  molprobity     1  True   
545  545  t80       -61.7   -47.4  Favored   9  13  1.14  18  0.73  molprobity     1  True   
546  546  ttt180    -66.9   -40.0  Favored  13  11  1.33  14  2.34  molprobity     1  True   
547  547  m80       -62.7   -40.6  Favored   7  11  0.45  15  0.89  molprobity     1  True   
548  548  m-80      -62.7   -41.0  Favored   6   8  0.76  11  0.89  molprobity     1  True   
549  549  mp        -64.0   -45.6  Favored  11   8  0.68  11  1.48  molprobity     ?  False  
550  550  pttt     -115.8   -10.6  Favored  13   9  0.74  11  1.04  molprobity     ?  False  
551  551  ?         -59.9   131.2  Favored   3   4  0.54   5  1.57  molprobity     ?  False  
552  552  ptm180     44.9    55.0  Favored  13  11  1.76  14  1.36  molprobity     ?  False  
553  553  p         -67.5    -9.1  Favored   5   6  0.91   8  0.97  molprobity     ?  False  
554  554  ?         -74.9    74.7  Favored   5   5  0.73   7  1.20  molprobity     ?  False  
555  555  mtp85      74.5   158.6  Allowed  13  11  1.84  14  1.24  molprobity     ?  False  
556  556  mttt      -81.1    68.6  Favored  13   9  0.46  11  0.87  molprobity     ?  False  
557  557  mt        -85.3    68.7  Favored  11   8  0.62  11  0.69  molprobity     ?  False  
558  558  tt0           ?       ?  ?         6   9  1.21   9  0.67  molprobity     ?  False  
559  559  ?             ?       ?  ?         7   5  1.08   7  1.24  molprobity     ?  False  
560  560  m        -124.3   147.6  Favored   5   6  0.79   8  1.01  molprobity     ?  False  
561  561  ptp       -66.2   -36.6  Favored   9   8  0.71  10  1.42  molprobity     ?  False  
562  562  t          48.9    48.0  Allowed   9   7  0.65  10  0.96  molprobity     ?  False  
563  563  tp       -105.1   -44.5  Favored  11   8  0.59  11  0.79  molprobity     ?  False  
564  564  t        -134.5   135.0  Favored   5   6  0.87   9  1.04  molprobity     ?  False  
565  565  Cg_endo   -68.4   -29.2  Favored   7   8  0.55  11  0.60  molprobity     ?  False  
566  566  tpm_?     -65.6   -47.8  Favored  13  11  1.81  14  1.11  molprobity     ?  False  
567  567  p30       -78.8   -39.8  Favored   4   8  0.77  11  1.26  molprobity     ?  False  
568  568  pt-20     -64.9   -43.6  Favored   6   9  0.85  12  0.79  molprobity     1  True   
569  569  mmt85     -66.8   -43.8  Favored  13  11  1.84  14  0.91  molprobity     1  True   
570  570  m         -67.0   -46.1  Favored   7   7  0.51  10  0.90  molprobity     1  True   
571  571  tt        -65.1   -46.7  Favored  11   8  0.76  11  0.95  molprobity     1  True   
572  572  m         -67.5   -33.6  Favored   9   7  0.68  10  1.07  molprobity     1  True   
573  573  ttm-85    -63.1   -48.4  Favored  13  11  1.82  14  0.94  molprobity     1  True   
574  574  mtmt      -65.5   -43.3  Favored  13   9  0.55  11  0.87  molprobity     1  True   
575  575  t         -62.5   -44.3  Favored   9   7  0.59  10  0.85  molprobity     1  True   
576  576  tt0       -66.4   -46.2  Favored   8   9  0.82  12  0.68  molprobity     1  True   
577  577  mt        -77.8   -43.4  Favored  11   8  0.49  11  0.60  molprobity     1  True   
578  578  m120     -121.8    69.4  Favored   6   8  0.80  12  0.89  molprobity     1  True   
579  579  Cg_endo   -68.8   -12.3  Favored   7   8  0.41  11  0.81  molprobity     1  True   
580  580  mtp180    -65.2   -23.6  Favored  13  11  1.79  14  0.98  molprobity     1  True   
581  581  t         -65.0   140.2  Favored   7   7  0.42  10  1.13  molprobity     1  True   
582  582  m         -67.9   134.9  Favored   7   7  0.49  10  0.94  molprobity     1  True   
583  583  ?         -62.0   -20.3  Favored   5   5  0.55   7  1.02  molprobity     1  True   
584  584  tptt      -58.3   -37.4  Favored  13   9  0.63  11  0.67  molprobity     1  True   
585  585  t70       -61.4   -42.8  Favored   4   8  0.66  11  0.61  molprobity     1  True   
586  586  mp        -63.9   -44.1  Favored  11   8  0.69  11  1.12  molprobity     1  True   
587  587  t         -62.1   -44.1  Favored   9   7  0.64  10  0.77  molprobity     1  True   
588  588  ttpt      -61.0   -44.2  Favored  13   9  0.62  11  0.71  molprobity     1  True   
589  589  ttp       -62.4   -43.9  Favored   9   8  0.57  10  0.74  molprobity     1  True   
590  590  mt        -63.1   -44.3  Favored  11   8  0.57  11  0.52  molprobity     1  True   
591  591  tt0       -62.7   -42.9  Favored   6   9  0.86  12  0.52  molprobity     1  True   
592  592  tt0       -63.5   -42.5  Favored   6   9  0.85  12  0.59  molprobity     1  True   
593  593  m         -63.1   -44.4  Favored   7   7  0.68  10  1.01  molprobity     1  True   
594  594  ?         104.6   -12.1  Favored   3   4  0.44   5  0.79  molprobity     1  True   
595  595  m         -64.6   129.0  Favored   7   7  0.44  10  1.02  molprobity     1  True   
596  596  mmtm      -89.6   113.3  Favored  13   9  0.61  11  0.73  molprobity     1  True   
597  597  t        -131.4   136.8  Favored   9   7  0.66  10  0.85  molprobity     1  True   
598  598  p         -77.1   159.0  Favored   5   6  1.12   8  1.07  molprobity     1  True   
599  599  mm        -65.2   -41.5  Favored  11   8  0.55  11  0.66  molprobity     1  True   
600  600  t         -62.1   -45.0  Favored   5   6  1.02   8  0.63  molprobity     1  True   
601  601  p         -65.6   -38.3  Favored   7   7  0.50  10  1.40  molprobity     1  True   
602  602  m         -67.1   -36.9  Favored   9   7  0.56  10  1.17  molprobity     1  True   
603  603  mmpt?     -62.8   -42.5  Favored  13   9  0.63  11  1.02  molprobity     1  True   
604  604  mmt-85    -63.0   -42.3  Favored  13  11  1.80  14  0.97  molprobity     1  True   
605  605  t         -62.4   -45.2  Favored   9   7  0.68  10  0.85  molprobity     1  True   
606  606  mt        -61.9   -45.0  Favored  11   8  0.64  11  0.67  molprobity     1  True   
607  607  t80       -64.4   -44.9  Favored   9  13  1.14  18  1.63  molprobity     1  True   
608  608  mmt85     -60.9   -45.9  Favored  13  11  1.78  14  1.26  molprobity     1  True   
609  609  m80       -65.9   -40.6  Favored   7  11  0.41  15  0.63  molprobity     1  True   
610  610  t30       -66.9   -44.8  Favored   6   8  0.85  11  0.68  molprobity     1  True   
611  611  tp        -66.4   -49.0  Favored  11   8  0.58  11  0.74  molprobity     ?  False  
612  612  ttmt     -132.1   117.8  Favored  13   9  0.67  11  1.02  molprobity     ?  False  
613  613  ?         -90.8    98.6  Favored   3   4  0.57   5  0.45  molprobity     ?  False  
614  614  ptm85     -72.0   151.9  Favored  13  11  1.86  14  1.20  molprobity     ?  False  
615  615  t        -141.7   -50.5  Allowed   5   6  0.97   8  0.49  molprobity     ?  False  
616  616  ?        -117.4   -94.1  Allowed   5   5  0.69   7  0.63  molprobity     ?  False  
617  617  mtm180   -127.6   146.1  Favored  13  11  1.82  14  1.08  molprobity     ?  False  
618  618  mttm       54.4  -123.4  Favored  13   9  0.64  11  0.78  molprobity     ?  False  
619  619  tp        -65.2   -45.0  Favored  11   8  0.57  11  0.54  molprobity     ?  False  
620  620  mm-40         ?       ?  ?         6   9  1.22   9  0.54  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  182  HB3   1  0.45  1.89  
2  186  HB2   1  0.45  1.89  
3  277  HG12  2  0.42  1.91  
4  289  HD12  2  0.42  1.91  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
 1   70  NE  CZ  NH1  123.618  120.300  0.500   6.64  
 2  132  NE  CZ  NH1  123.650  120.300  0.500   6.70  
 3  139  NE  CZ  NH2  123.588  120.300  0.500   6.58  
 4  170  NE  CZ  NH2  123.359  120.300  0.500   6.12  
 5  180  NE  CZ  NH1  123.157  120.300  0.500   5.71  
 6  270  NE  CZ  NH1  123.644  120.300  0.500   6.69  
 7  359  CB  CG  CD1  117.197  121.000  0.600  -6.34  
 8  483  CB  CG  CD1  117.137  121.000  0.600  -6.44  
 9  546  NE  CZ  NH1  123.587  120.300  0.500   6.57  
10  607  CB  CG  CD1  117.834  121.000  0.600  -5.28  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  2        ?     
 3  1        ?     
 4  1        ?     
 5  1        True  
 6  2        ?     
 7  1        ?     
 8  2        True  
 9  1        ?     
10  outlier  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  43
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.730
_pdbx_vrpt_cyrange_domain.medoid_model        1
_pdbx_vrpt_cyrange_domain.medoid_rmsd         1.002
_pdbx_vrpt_cyrange_domain.residue_string      A:10-A:52
#
_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                        red.str
_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           630
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           630
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            630
_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  ALA   1  0.334  
 2  A  SER   2  0.303  
 3  A  MET   3  0.258  
 4  A  VAL   4  0.210  
 5  A  LEU   5  0.182  
 6  A  SER   6  0.126  
 7  A  PRO   7  0.080  
 8  A  ARG   8  0.032  
 9  A  ASP   9  0.019  
10  A  GLU  10  0.018  
11  A  ARG  11  0.021  
12  A  THR  12  0.021  
13  A  LEU  13  0.019  
14  A  VAL  14  0.016  
15  A  ARG  15  0.019  
16  A  LYS  16  0.023  
17  A  VAL  17  0.027  
18  A  GLN  18  0.028  
19  A  ILE  19  0.031  
20  A  ASN  20  0.034  
21  A  PRO  21  0.036  
22  A  ARG  22  0.036  
23  A  THR  23  0.032  
24  A  THR  24  0.028  
25  A  ALA  25  0.022  
26  A  LYS  26  0.019  
27  A  ASP  27  0.017  
28  A  LEU  28  0.018  
29  A  VAL  29  0.017  
30  A  LYS  30  0.020  
31  A  MET  31  0.021  
32  A  LEU  32  0.024  
33  A  GLU  33  0.025  
34  A  GLU  34  0.032  
35  A  THR  35  0.048  
36  A  GLY  36  0.068  
37  A  THR  37  0.064  
38  A  LYS  38  0.047  
39  A  VAL  39  0.025  
40  A  SER  40  0.021  
41  A  ILE  41  0.018  
42  A  SER  42  0.016  
43  A  THR  43  0.013  
44  A  VAL  44  0.011  
45  A  LYS  45  0.012  
46  A  ARG  46  0.015  
47  A  VAL  47  0.021  
48  A  LEU  48  0.027  
49  A  TYR  49  0.031  
50  A  ARG  50  0.033  
51  A  ASN  52  0.046  
52  A  LEU  53  0.064  
53  A  LYS  54  0.094  
54  A  GLY  55  0.143  
55  A  ARG  56  0.181  
56  A  SER  57  0.212  
57  A  ALA  58  0.229  
58  A  ARG  59  0.256  
59  A  LYS  60  0.283  
60  A  LEU  61  0.307  
61  A  GLU  62  0.320  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00   0  
2  CA  0.50  0.21  0.07  56  
3  CB  0.50  0.18  0.72  58  
4  N   0.50  0.31  0.45  59  
#
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   10   10  stereomethyl  stereomethyl  
 2  472  171  643  overall       Total         
 3  164   50  214  backbone      Total         
 4  302  111  413  sidechain     Total         
 5    6   10   16  aromatic      Total         
 6  302   59  361  overall       H             
 7   84    2   86  backbone      H             
 8  214   53  267  sidechain     H             
 9    4    4    8  aromatic      H             
10  126   90  216  overall       C             
11   39   47   86  backbone      C             
12   85   38  123  sidechain     C             
13    2    5    7  aromatic      C             
14   44   22   66  overall       N             
15   41    1   42  backbone      N             
16    3   20   23  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   14   14  stereomethyl  stereomethyl  
 2  628  285  913  overall       Total         
 3  236   72  308  backbone      Total         
 4  386  203  589  sidechain     Total         
 5    6   10   16  aromatic      Total         
 6  402  111  513  overall       H             
 7  121    3  124  backbone      H             
 8  277  104  381  sidechain     H             
 9    4    4    8  aromatic      H             
10  164  141  305  overall       C             
11   56   68  124  backbone      C             
12  106   68  174  sidechain     C             
13    2    5    7  aromatic      C             
14   62   33   95  overall       N             
15   59    1   60  backbone      N             
16    3   31   34  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    476  
 2  "Intra-residue (|i-j|=0)"                      175  
 3  "Sequential (|i-j|=1)"                         146  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            90  
 5  "Long range (|i-j|>=5)"                         17  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                48  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               90  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             9.1  
12  "Number of long range restraints per residue"  0.3  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 175   36.8  0  0.0  0.0   1  0.2    0.6  
 2  Intra-residue  BackboneBackbone     58   12.2  0  0.0  0.0   0  0.0    0.0  
 3  Intra-residue  BackboneSidechain   104   21.8  0  0.0  0.0   1  0.2    1.0  
 4  Intra-residue  SidechainSidechain   13    2.7  0  0.0  0.0   0  0.0    0.0  
 5  Sequential     all                 146   30.7  1  0.2  0.7   1  0.2    0.7  
 6  Sequential     BackboneBackbone     88   18.5  0  0.0  0.0   0  0.0    0.0  
 7  Sequential     BackboneSidechain    58   12.2  1  0.2  1.7   1  0.2    1.7  
 8  Sequential     SidechainSidechain    0    0.0  0  0.0  0.0   0  0.0    0.0  
 9  MediumRange    all                  90   18.9  2  0.4  2.2  14  2.9   15.6  
10  MediumRange    BackboneBackbone     42    8.8  2  0.4  4.8  11  2.3   26.2  
11  MediumRange    BackboneSidechain    38    8.0  0  0.0  0.0   3  0.6    7.9  
12  MediumRange    SidechainSidechain   10    2.1  0  0.0  0.0   0  0.0    0.0  
13  LongRange      all                  17    3.6  0  0.0  0.0   4  0.8   23.5  
14  LongRange      BackboneBackbone      1    0.2  0  0.0  0.0   1  0.2  100.0  
15  LongRange      BackboneSidechain     2    0.4  0  0.0  0.0   2  0.4  100.0  
16  LongRange      SidechainSidechain   14    2.9  0  0.0  0.0   1  0.2    7.1  
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                  48   10.1  0  0.0  0.0  15  3.2   31.2  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0   0  0.0    0.0  
23  Total          all                 476  100.0  3  0.6  0.6  20  4.2    4.2  
24  Total          BackboneBackbone    189   39.7  2  0.4  1.1  12  2.5    6.3  
25  Total          BackboneSidechain   202   42.4  1  0.2  0.5   7  1.5    3.5  
26  Total          SidechainSidechain   37    7.8  0  0.0  0.0   1  0.2    2.7  
#
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  1.40  0.54  0.24  0.46  
 2   2  2.41  0.79  0.66  0.60  
 3   3  1.09  0.56  0.48  0.29  
 4   4  1.93  0.73  0.48  0.60  
 5   5  2.20  0.66  0.46  0.60  
 6   6  2.32  0.68  0.46  0.59  
 7   7  2.15  0.64  0.36  0.62  
 8   8  2.32  0.76  0.60  0.58  
 9   9  0.64  0.43  0.50  0.17  
10  10  1.88  0.76  0.68  0.50  
#
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        10  
 4   1  long           0  
 5   1  interchain     0  
 6   1  total         11  
 7   2  intraresidue   0  
 8   2  sequential     1  
 9   2  medium        10  
10   2  long           0  
11   2  interchain     0  
12   2  total         11  
13   3  intraresidue   1  
14   3  sequential     1  
15   3  medium        10  
16   3  long           1  
17   3  interchain     0  
18   3  total         13  
19   4  intraresidue   0  
20   4  sequential     1  
21   4  medium        10  
22   4  long           1  
23   4  interchain     0  
24   4  total         12  
25   5  intraresidue   1  
26   5  sequential     1  
27   5  medium         7  
28   5  long           3  
29   5  interchain     0  
30   5  total         12  
31   6  intraresidue   0  
32   6  sequential     1  
33   6  medium        12  
34   6  long           2  
35   6  interchain     0  
36   6  total         15  
37   7  intraresidue   0  
38   7  sequential     1  
39   7  medium        10  
40   7  long           1  
41   7  interchain     0  
42   7  total         12  
43   8  intraresidue   0  
44   8  sequential     1  
45   8  medium        12  
46   8  long           1  
47   8  interchain     0  
48   8  total         14  
49   9  intraresidue   0  
50   9  sequential     1  
51   9  medium        12  
52   9  long           3  
53   9  interchain     0  
54   9  total         16  
55  10  intraresidue   0  
56  10  sequential     1  
57  10  medium        10  
58  10  long           2  
59  10  interchain     0  
60  10  total         13  
#
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   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  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          1  
 5   1  interchain    0  
 6   1  total         2  
 7   2  intraresidue  1  
 8   2  sequential    0  
 9   2  medium        4  
10   2  long          1  
11   2  interchain    0  
12   2  total         6  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        1  
16   3  long          1  
17   3  interchain    0  
18   3  total         2  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        3  
22   4  long          0  
23   4  interchain    0  
24   4  total         3  
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        2  
40   7  long          0  
41   7  interchain    0  
42   7  total         2  
43   8  intraresidue  0  
44   8  sequential    0  
45   8  medium        0  
46   8  long          1  
47   8  interchain    0  
48   8  total         1  
49   9  intraresidue  0  
50   9  sequential    0  
51   9  medium        1  
52   9  long          0  
53   9  interchain    0  
54   9  total         1  
55  10  intraresidue  0  
56  10  sequential    1  
57  10  medium        2  
58  10  long          0  
59  10  interchain    0  
60  10  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  2.3  
2  0.2-0.5  0.5  4.1  
3  >0.5     2.4  6.5  
#
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  395  2  .  A  53  LEU  ?     1  A  53  HA    A  .  55  GLY  55  A  1  ?     H     10  1.23  1.43  0.49  
 2  279  2  .  A  41  ILE  ?     1  A  41  HG12  A  .  40  SER  40  A  1  ?     H     10  0.63  0.65  0.12  
 3  300  2  .  A  44  VAL  ?     1  A  44  H     A  .  42  SER  42  A  1  ?     H     10  0.58  0.57  0.10  
 4  164  2  .  A  21  PRO  ?     1  A  21  HD3   A  .  23  THR  23  A  1  ?     H      9  0.38  0.23  0.32  
 5   29  1  .  A  51  HIS  ?     1  A  51  O     A  .  55  GLY  55  A  1  ?     H      8  2.08  2.17  0.31  
 6   50  2  .  A   4  VAL  ?     1  A   4  HA    A  .  11  ARG  11  A  1  ?     H      8  0.93  1.04  0.52  
 7   30  1  .  A  51  HIS  ?     1  A  51  O     A  .  55  GLY  55  A  1  ?     N      8  0.57  0.58  0.22  
 8  270  2  .  A  37  THR  ?     1  A  37  H     A  .  39  VAL  39  A  1  ?     H      7  0.48  0.48  0.20  
 9  269  2  .  A  37  THR  ?     1  A  37  HA    A  .  39  VAL  39  A  1  ?     H      7  0.26  0.23  0.12  
10   16  1  .  A   8  ARG  ?     1  A   8  O     A  .  12  THR  12  A  1  ?     N      4  0.66  0.52  0.28  
11   15  1  .  A   8  ARG  ?     1  A   8  O     A  .  12  THR  12  A  1  ?     H      4  0.56  0.43  0.26  
12  318  2  .  A  41  ILE  ?     1  A  41  HA    A  .  44  VAL  44  A  1  ?     HB     4  0.56  0.56  0.12  
13  190  2  .  A  24  THR  ?     1  A  24  HA    A  .  27  ASP  27  A  1  ?     HB2    4  0.55  0.55  0.08  
14  189  2  .  A  23  THR  ?     1  A  23  HA    A  .  27  ASP  27  A  1  ?     H      4  0.47  0.37  0.28  
15  178  2  .  A  44  VAL  ?     1  A  44  HB    A  .  25  ALA  25  A  1  ?     HA     3  0.47  0.60  0.21  
16   49  2  .  A   9  ASP  ?     1  A   9  HA    A  .  11  ARG  11  A  1  ?     H      3  0.23  0.23  0.04  
17  403  2  .  A  54  LYS  ?     1  A  54  H     A  .  56  ARG  56  A  1  ?     H      2  0.69  0.69  0.16  
18   92  2  .  A  16  LYS  ?     1  A  16  HE2   A  .  16  LYS  16  A  1  ?     H      2  0.36  0.36  0.01  
19   92  2  .  A  16  LYS  ?     1  A  16  HE3   A  .  16  LYS  16  A  1  ?     H      2  0.36  0.36  0.01  
20  347  2  .  A  44  VAL  ?     1  A  44  H     A  .  47  VAL  47  A  1  ?     H      2  0.18  0.18  0.03  
21  308  2  .  A  41  ILE  ?     1  A  41  H     A  .  43  THR  43  A  1  ?     H      2  0.17  0.17  0.03  
22  289  2  .  A  26  LYS  ?     1  A  26  HA    A  .  41  ILE  41  A  1  ?     HD11   2  0.14  0.14  0.03  
23  289  2  .  A  26  LYS  ?     1  A  26  HA    A  .  41  ILE  41  A  1  ?     HD12   2  0.14  0.14  0.03  
24  289  2  .  A  26  LYS  ?     1  A  26  HA    A  .  41  ILE  41  A  1  ?     HD13   2  0.14  0.14  0.03  
25    4  1  .  A  14  VAL  ?     1  A  14  O     A  .  18  GLN  18  A  1  ?     N      2  0.13  0.13  0.02  
26  281  2  .  A  44  VAL  ?     1  A  44  H     A  .  40  SER  40  A  1  ?     H      2  0.12  0.12  0.01  
#
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   29  1  113  117  O     H     2.41  
  2   29  1  361  365  O     H     2.32  
  3   29  1  485  489  O     H     2.32  
  4   29  1  299  303  O     H     2.20  
  5   29  1  423  427  O     H     2.15  
  6   29  1  237  241  O     H     1.93  
  7   29  1  609  613  O     H     1.88  
  8   50  2  190  197  HA    H     1.82  
  9  395  2  363  365  HA    H     1.68  
 10  395  2  487  489  HA    H     1.57  
 11  395  2  611  613  HA    H     1.51  
 12  395  2  301  303  HA    H     1.45  
 13  395  2  115  117  HA    H     1.43  
 14  395  2  239  241  HA    H     1.43  
 15   29  1   51   55  O     H     1.40  
 16   50  2  376  383  HA    H     1.39  
 17  395  2  425  427  HA    H     1.39  
 18  395  2   53   55  HA    H     1.34  
 19  164  2  331  333  HD3   H     1.21  
 20   50  2  562  569  HA    H     1.17  
 21   16  1  442  446  O     N     1.15  
 22   45  1  166  170  O     H     1.09  
 23   50  2  128  135  HA    H     1.06  
 24   50  2  252  259  HA    H     1.01  
 25   15  1  442  446  O     H     1.00  
 26   46  1  166  170  O     N     0.95  
 27  189  2  581  585  HA    H     0.94  
 28   30  1  485  489  O     N     0.86  
 29  403  2   54   56  H     H     0.85  
 30  279  2  599  598  HG12  H     0.82  
 31   30  1  113  117  O     N     0.82  
 32  270  2  595  597  H     H     0.81  
 33  279  2   41   40  HG12  H     0.77  
 34   30  1  361  365  O     N     0.74  
 35  300  2  106  104  H     H     0.72  
 36  318  2  103  106  HA    HB    0.71  
 37  300  2  168  166  H     H     0.71  
 38  279  2  227  226  HG12  H     0.69  
 39  300  2  602  600  H     H     0.68  
 40  190  2  458  461  HA    HB2   0.67  
 41  279  2  103  102  HG12  H     0.66  
 42  279  2  475  474  HG12  H     0.66  
 43  279  2  537  536  HG12  H     0.64  
 44  178  2  292  273  HB    HA    0.64  
 45  300  2  230  228  H     H     0.63  
 46  270  2  533  535  H     H     0.63  
 47   30  1  299  303  O     N     0.63  
 48  318  2  599  602  HA    HB    0.62  
 49  279  2  165  164  HG12  H     0.62  
 50   36  1  358  362  O     N     0.62  
 51  300  2  540  538  H     H     0.60  
 52  279  2  413  412  HG12  H     0.60  
 53  270  2   99  101  H     H     0.60  
 54  178  2  540  521  HB    HA    0.60  
 55  164  2  517  519  HD3   H     0.56  
 56  190  2  520  523  HA    HB2   0.55  
 57  190  2  582  585  HA    HB2   0.55  
 58  300  2  354  352  H     H     0.54  
 59  300  2  478  476  H     H     0.54  
 60  403  2  550  552  H     H     0.53  
 61  300  2   44   42  H     H     0.53  
 62   30  1  423  427  O     N     0.53  
 63   16  1  318  322  O     N     0.53  
 64  318  2  227  230  HA    HB    0.51  
 65   16  1  504  508  O     N     0.51  
 66   50  2  438  445  HA    H     0.50  
 67  270  2  471  473  H     H     0.48  
 68  269  2  533  535  HA    H     0.48  
 69  248  2  155  159  HA    H     0.48  
 70   21  1  152  156  O     H     0.48  
 71  300  2  292  290  H     H     0.46  
 72   15  1  318  322  O     H     0.46  
 73  279  2  289  288  HG12  H     0.45  
 74   35  1  358  362  O     H     0.45  
 75   16  1  194  198  O     N     0.45  
 76   30  1  609  613  O     N     0.44  
 77  190  2   86   89  HA    HB2   0.43  
 78   10  1  135  139  O     N     0.42  
 79  164  2   83   85  HD3   H     0.41  
 80   15  1  504  508  O     H     0.41  
 81  279  2  351  350  HG12  H     0.40  
 82  318  2  165  168  HA    HB    0.39  
 83  300  2  416  414  H     H     0.39  
 84  189  2  457  461  HA    H     0.39  
 85   30  1  237  241  O     N     0.39  
 86   92  2  264  264  HE2   H     0.37  
 87   92  2  264  264  HE3   H     0.37  
 88   92  2  140  140  HE2   H     0.36  
 89   92  2  140  140  HE3   H     0.36  
 90   15  1  194  198  O     H     0.36  
 91  269  2   99  101  HA    H     0.35  
 92  189  2  519  523  HA    H     0.35  
 93  270  2  409  411  H     H     0.33  
 94  269  2  347  349  HA    H     0.32  
 95   50  2  500  507  HA    H     0.31  
 96  395  2  177  179  HA    H     0.30  
 97    9  1  135  139  O     H     0.30  
 98   49  2  505  507  HA    H     0.28  
 99  270  2  347  349  H     H     0.27  
100  164  2  393  395  HD3   H     0.26  
101  395  2  549  551  HA    H     0.24  
102  270  2   37   39  H     H     0.24  
103   49  2  319  321  HA    H     0.23  
104  269  2  471  473  HA    H     0.23  
105  164  2  207  209  HD3   H     0.23  
106  347  2  230  233  H     H     0.21  
107  164  2   21   23  HD3   H     0.21  
108  164  2  579  581  HD3   H     0.21  
109  308  2  413  415  H     H     0.20  
110  189  2   85   89  HA    H     0.20  
111  164  2  269  271  HD3   H     0.20  
112   50  2  314  321  HA    H     0.19  
113   24  1  399  403  O     N     0.19  
114  178  2  354  335  HB    HA    0.18  
115   42  1  169  173  O     N     0.18  
116   30  1   51   55  O     N     0.18  
117   49  2  443  445  HA    H     0.17  
118  289  2  274  289  HA    HD11  0.16  
119  289  2  274  289  HA    HD12  0.16  
120  289  2  274  289  HA    HD13  0.16  
121  269  2  595  597  HA    H     0.16  
122   26  1  274  278  O     N     0.16  
123  347  2  292  295  H     H     0.15  
124  164  2  455  457  HD3   H     0.15  
125    4  1  200  204  O     N     0.15  
126  308  2   41   43  H     H     0.14  
127  269  2   37   39  HA    H     0.14  
128  269  2  409  411  HA    H     0.14  
129  163  2  575  581  HG11  HB    0.14  
130  163  2  575  581  HG12  HB    0.14  
131  163  2  575  581  HG13  HB    0.14  
132  163  2  575  581  HG21  HB    0.14  
133  163  2  575  581  HG22  HB    0.14  
134  163  2  575  581  HG23  HB    0.14  
135  281  2  540  536  H     H     0.13  
136  281  2  416  412  H     H     0.12  
137  289  2  522  537  HA    HD11  0.11  
138  289  2  522  537  HA    HD12  0.11  
139  289  2  522  537  HA    HD13  0.11  
140    4  1   14   18  O     N     0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI    45   50.0  1  1.1  2.2  13  14.4  28.9  
2  PSI    45   50.0  0  0.0  0.0  15  16.7  33.3  
3  Total  90  100.0  1  1.1  1.1  28  31.1  31.1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  43.00  15.10  12.90  13.92  
 2   2  36.40  13.71  12.70   9.64  
 3   3  73.80  26.24  16.80  21.91  
 4   4  42.90  14.49  11.60  12.49  
 5   5  34.90  17.89  22.35  12.58  
 6   6  46.40  19.82  12.75  14.05  
 7   7  29.10  15.77  13.60   8.66  
 8   8  38.30  17.67  12.70  11.82  
 9   9  21.10  12.85  14.40   6.72  
10  10  37.40  13.17   9.10  11.19  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI     3  
 2   1  PSI     6  
 3   1  Total   9  
 4   2  PHI     4  
 5   2  PSI     5  
 6   2  Total   9  
 7   3  PHI    10  
 8   3  PSI     9  
 9   3  Total  19  
10   4  PHI     3  
11   4  PSI     8  
12   4  Total  11  
13   5  PHI     2  
14   5  PSI     6  
15   5  Total   8  
16   6  PHI     3  
17   6  PSI     7  
18   6  Total  10  
19   7  PHI     3  
20   7  PSI     6  
21   7  Total   9  
22   8  PHI     3  
23   8  PSI     4  
24   8  Total   7  
25   9  PHI     1  
26   9  PSI     5  
27   9  Total   6  
28  10  PHI     3  
29  10  PSI     6  
30  10  Total   9  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI     8  
 2   1  PSI     4  
 3   1  Total  12  
 4   2  PHI     2  
 5   2  PSI     3  
 6   2  Total   5  
 7   3  PHI     0  
 8   3  PSI     1  
 9   3  Total   1  
10   4  PHI     0  
11   4  PSI     1  
12   4  Total   1  
13   5  PHI     1  
14   5  PSI     1  
15   5  Total   2  
16   6  PHI     0  
17   6  PSI     0  
18   6  Total   0  
19   7  PHI     0  
20   7  PSI     2  
21   7  Total   2  
22   8  PHI     1  
23   8  PSI     1  
24   8  Total   2  
25   9  PHI     0  
26   9  PSI     2  
27   9  Total   2  
28  10  PHI     1  
29  10  PSI     0  
30  10  Total   1  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0    9.7  3.3  
2  10.0-20.0  18.9  3.3  
3  >20.0      73.8  3.1  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
 1  87  1  .  A  53  LEU  ?     1  A  53  C  A  .  54  LYS  54  A  1  ?     N   .  A  54  LYS  ?     1  A  54  CA  A  .  54  LYS  54  A  1  ?     C  10  31.40  30.75   8.83  
 2  88  1  .  A  54  LYS  ?     1  A  54  N  A  .  54  LYS  54  A  1  ?     CA  .  A  54  LYS  ?     1  A  54  C   A  .  55  GLY  55  A  1  ?     N   9  30.50  29.10   6.43  
 3  66  1  .  A  40  SER  ?     1  A  40  N  A  .  40  SER  40  A  1  ?     CA  .  A  40  SER  ?     1  A  40  C   A  .  41  ILE  41  A  1  ?     N   9   9.21   5.90   8.38  
 4  90  1  .  A  55  GLY  ?     1  A  55  N  A  .  55  GLY  55  A  1  ?     CA  .  A  55  GLY  ?     1  A  55  C   A  .  56  ARG  56  A  1  ?     N   8  24.78  20.15  17.38  
 5  55  1  .  A  34  GLU  ?     1  A  34  C  A  .  35  THR  35  A  1  ?     N   .  A  35  THR  ?     1  A  35  CA  A  .  35  THR  35  A  1  ?     C   8  13.25  12.80   1.42  
 6  56  1  .  A  35  THR  ?     1  A  35  N  A  .  35  THR  35  A  1  ?     CA  .  A  35  THR  ?     1  A  35  C   A  .  36  GLY  36  A  1  ?     N   7  13.71  13.80   0.46  
 7  64  1  .  A  39  VAL  ?     1  A  39  N  A  .  39  VAL  39  A  1  ?     CA  .  A  39  VAL  ?     1  A  39  C   A  .  40  SER  40  A  1  ?     N   7   3.04   2.90   1.13  
 8  32  1  .  A  22  ARG  ?     1  A  22  N  A  .  22  ARG  22  A  1  ?     CA  .  A  22  ARG  ?     1  A  22  C   A  .  23  THR  23  A  1  ?     N   5  16.50  15.50  16.11  
 9  31  1  .  A  21  PRO  ?     1  A  21  C  A  .  22  ARG  22  A  1  ?     N   .  A  22  ARG  ?     1  A  22  CA  A  .  22  ARG  22  A  1  ?     C   5   3.94   3.70   2.09  
10  36  1  .  A  25  ALA  ?     1  A  25  N  A  .  25  ALA  25  A  1  ?     CA  .  A  25  ALA  ?     1  A  25  C   A  .  26  LYS  26  A  1  ?     N   4  11.28  10.65   2.20  
11   4  1  .  A   7  PRO  ?     1  A   7  N  A  .   7  PRO   7  A  1  ?     CA  .  A   7  PRO  ?     1  A   7  C   A  .   8  ARG   8  A  1  ?     N   3  31.43  13.70  30.09  
12   6  1  .  A   8  ARG  ?     1  A   8  N  A  .   8  ARG   8  A  1  ?     CA  .  A   8  ARG  ?     1  A   8  C   A  .   9  ASP   9  A  1  ?     N   2  24.80  24.80  10.10  
13  62  1  .  A  38  LYS  ?     1  A  38  N  A  .  38  LYS  38  A  1  ?     CA  .  A  38  LYS  ?     1  A  38  C   A  .  39  VAL  39  A  1  ?     N   2  15.10  15.10   3.50  
14   2  1  .  A   6  SER  ?     1  A   6  N  A  .   6  SER   6  A  1  ?     CA  .  A   6  SER  ?     1  A   6  C   A  .   7  PRO   7  A  1  ?     N   2  10.50  10.50   6.60  
15   7  1  .  A   8  ARG  ?     1  A   8  C  A  .   9  ASP   9  A  1  ?     N   .  A   9  ASP  ?     1  A   9  CA  A  .   9  ASP   9  A  1  ?     C   2   9.10   9.10   2.00  
16  57  1  .  A  35  THR  ?     1  A  35  C  A  .  36  GLY  36  A  1  ?     N   .  A  36  GLY  ?     1  A  36  CA  A  .  36  GLY  36  A  1  ?     C   2   7.95   7.95   5.55  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1   4  1  131  131  131  132  N  CA  C   N  73.80  
 2  89  1  178  179  179  179  C  N   CA  C  67.80  
 3  90  1  179  179  179  180  N  CA  C   N  58.70  
 4   5  1  131  132  132  132  C  N   CA  C  46.80  
 5  32  1  332  332  332  333  N  CA  C   N  46.40  
 6  87  1  177  178  178  178  C  N   CA  C  45.40  
 7  87  1   53   54   54   54  C  N   CA  C  43.00  
 8  90  1  241  241  241  242  N  CA  C   N  42.90  
 9  88  1  364  364  364  365  N  CA  C   N  41.20  
10  87  1  487  488  488  488  C  N   CA  C  38.30  
11  49  1  155  156  156  156  C  N   CA  C  38.00  
12  87  1  611  612  612  612  C  N   CA  C  37.40  
13  88  1  116  116  116  117  N  CA  C   N  36.40  
14  88  1   54   54   54   55  N  CA  C   N  35.70  
15   6  1  256  256  256  257  N  CA  C   N  34.90  
16  88  1  488  488  488  489  N  CA  C   N  33.10  
17  87  1  363  364  364  364  C  N   CA  C  31.20  
18  87  1  239  240  240  240  C  N   CA  C  30.30  
19  48  1  155  155  155  156  N  CA  C   N  29.60  
20  88  1  426  426  426  427  N  CA  C   N  29.10  
21  90  1  427  427  427  428  N  CA  C   N  29.00  
22  88  1  302  302  302  303  N  CA  C   N  28.00  
23  90  1  303  303  303  304  N  CA  C   N  27.90  
24  88  1  612  612  612  613  N  CA  C   N  27.20  
25  87  1  301  302  302  302  C  N   CA  C  25.80  
26  88  1  240  240  240  241  N  CA  C   N  25.20  
27  66  1  164  164  164  165  N  CA  C   N  22.70  
28  87  1  425  426  426  426  C  N   CA  C  21.30  
29  87  1  549  550  550  550  C  N   CA  C  21.10  
30  66  1  350  350  350  351  N  CA  C   N  20.60  
31  87  1  115  116  116  116  C  N   CA  C  20.20  
32  66  1  288  288  288  289  N  CA  C   N  18.90  
33  88  1  550  550  550  551  N  CA  C   N  18.60  
34  62  1  162  162  162  163  N  CA  C   N  18.60  
35   2  1  502  502  502  503  N  CA  C   N  17.10  
36  55  1  158  159  159  159  C  N   CA  C  16.80  
37  27  1  142  143  143  143  C  N   CA  C  16.80  
38  32  1   22   22   22   23  N  CA  C   N  15.90  
39  32  1   84   84   84   85  N  CA  C   N  15.50  
40   6  1  132  132  132  133  N  CA  C   N  14.70  
41  36  1  149  149  149  150  N  CA  C   N  14.70  
42  56  1  593  593  593  594  N  CA  C   N  14.30  
43  56  1  469  469  469  470  N  CA  C   N  14.20  
44  56  1   97   97   97   98  N  CA  C   N  13.90  
45  56  1  221  221  221  222  N  CA  C   N  13.80  
46  54  1  158  158  158  159  N  CA  C   N  13.70  
47   4  1  379  379  379  380  N  CA  C   N  13.70  
48  56  1  345  345  345  346  N  CA  C   N  13.60  
49  55  1  406  407  407  407  C  N   CA  C  13.60  
50  57  1  407  408  408  408  C  N   CA  C  13.50  
51  56  1   35   35   35   36  N  CA  C   N  13.30  
52  55  1  592  593  593  593  C  N   CA  C  13.00  
53  56  1  407  407  407  408  N  CA  C   N  12.90  
54  55  1   34   35   35   35  C  N   CA  C  12.90  
55  55  1   96   97   97   97  C  N   CA  C  12.70  
56  55  1  468  469  469  469  C  N   CA  C  12.70  
57  90  1  489  489  489  490  N  CA  C   N  12.40  
58  55  1  220  221  221  221  C  N   CA  C  12.40  
59  90  1  117  117  117  118  N  CA  C   N  11.90  
60  55  1  344  345  345  345  C  N   CA  C  11.90  
61  36  1  521  521  521  522  N  CA  C   N  11.70  
62  62  1  224  224  224  225  N  CA  C   N  11.60  
63   7  1  318  319  319  319  C  N   CA  C  11.10  
64  58  1  346  346  346  347  N  CA  C   N  10.30  
65  90  1  365  365  365  366  N  CA  C   N   9.70  
66  36  1  211  211  211  212  N  CA  C   N   9.60  
67  36  1  583  583  583  584  N  CA  C   N   9.10  
68  71  1  166  167  167  167  C  N   CA  C   7.40  
69  31  1   21   22   22   22  C  N   CA  C   7.20  
70   7  1  442  443  443  443  C  N   CA  C   7.10  
71   4  1  193  193  193  194  N  CA  C   N   6.80  
72  66  1  412  412  412  413  N  CA  C   N   6.70  
73  34  1  582  582  582  583  N  CA  C   N   6.70  
74  66  1  474  474  474  475  N  CA  C   N   5.90  
75  90  1  613  613  613  614  N  CA  C   N   5.70  
76  64  1  535  535  535  536  N  CA  C   N   5.70  
77  31  1   83   84   84   84  C  N   CA  C   5.20  
78  33  1   85   86   86   86  C  N   CA  C   5.10  
79  37  1  149  150  150  150  C  N   CA  C   4.30  
80  77  1  169  170  170  170  C  N   CA  C   3.90  
81   2  1    6    6    6    7  N  CA  C   N   3.90  
82  31  1  579  580  580  580  C  N   CA  C   3.70  
83  32  1  270  270  270  271  N  CA  C   N   3.30  
84  64  1  287  287  287  288  N  CA  C   N   3.00  
85  66  1  536  536  536  537  N  CA  C   N   2.90  
86  64  1   39   39   39   40  N  CA  C   N   2.90  
87  64  1  225  225  225  226  N  CA  C   N   2.90  
88  66  1  102  102  102  103  N  CA  C   N   2.50  
89  64  1  163  163  163  164  N  CA  C   N   2.50  
90  57  1  159  160  160  160  C  N   CA  C   2.40  
91  31  1  207  208  208  208  C  N   CA  C   2.30  
92  64  1  349  349  349  350  N  CA  C   N   2.20  
93  64  1  411  411  411  412  N  CA  C   N   2.10  
94  66  1  226  226  226  227  N  CA  C   N   1.60  
95  32  1  580  580  580  581  N  CA  C   N   1.40  
96  31  1  269  270  270  270  C  N   CA  C   1.30  
97  66  1   40   40   40   41  N  CA  C   N   1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  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  
##
