data_7TH8

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7TH8   
BMRB  30979  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7TH8
_pdbx_vrpt_summary.PDB_deposition_date         2022-01-10
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:03:13
_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  "Nodule cysteine-rich protein 13"
#
_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  44.59  158937  ?     ?     
2  2  1  61.64   12864  ?     ?     
3  1  2  10.32  154571  ?     ?     
4  2  2  50.36   11451  ?     ?     
5  1  3  27.99  154315  ?     ?     
6  2  3  77.21   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    3.78  
 2  4  2  A   1  1  A    3.78  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A    3.78  
 6  4  2  A   2  1  A    3.78  
 7  5  3  A   2  1  A   15.93  
 8  6  3  A   2  1  A   15.93  
 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    3.65  
16  6  3  A   4  1  A    3.65  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A    3.78  
22  4  2  A   6  1  A    3.78  
23  5  3  A   6  1  A   15.93  
24  6  3  A   6  1  A   15.93  
25  3  2  A   7  1  A    3.78  
26  4  2  A   7  1  A    3.78  
27  5  3  A   7  1  A   15.93  
28  6  3  A   7  1  A   15.93  
29  3  2  A   8  1  A    3.78  
30  4  2  A   8  1  A    3.78  
31  5  3  A   8  1  A   15.93  
32  6  3  A   8  1  A   15.93  
33  3  2  A   9  1  A    3.78  
34  4  2  A   9  1  A    3.78  
35  5  3  A   9  1  A    7.33  
36  6  3  A   9  1  A    7.33  
37  3  2  A  10  1  A    3.78  
38  4  2  A  10  1  A    3.78  
39  5  3  A  10  1  A    1.91  
40  6  3  A  10  1  A    1.91  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A   15.93  
44  6  3  A  11  1  A   15.93  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   15.93  
48  6  3  A  12  1  A   15.93  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A   37.58  
52  6  3  A  13  1  A   37.58  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A   37.58  
56  6  3  A  14  1  A   37.58  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A   37.58  
60  6  3  A  15  1  A   37.58  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A   37.58  
64  6  3  A  16  1  A   37.58  
65  3  2  A  17  1  A    3.78  
66  4  2  A  17  1  A    3.78  
67  5  3  A  17  1  A   15.93  
68  6  3  A  17  1  A   15.93  
69  3  2  A  18  1  A    3.78  
70  4  2  A  18  1  A    3.78  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
73  3  2  A  19  1  A    1.10  
74  4  2  A  19  1  A    1.10  
75  5  3  A  19  1  A   37.58  
76  6  3  A  19  1  A   37.58  
77  3  2  A  20  1  A    3.78  
78  4  2  A  20  1  A    3.78  
79  5  3  A  20  1  A   37.58  
80  6  3  A  20  1  A   37.58  
#
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  0.41  0.36  260  342  
 2   2  1  A  A  0.41  0.37  260  342  
 3   3  1  A  A  0.38  0.35  260  342  
 4   4  1  A  A  0.40  0.36  260  342  
 5   5  1  A  A  0.41  0.38  260  342  
 6   6  1  A  A  0.44  0.36  260  342  
 7   7  1  A  A  0.41  0.36  260  342  
 8   8  1  A  A  0.43  0.36  260  342  
 9   9  1  A  A  0.43  0.35  260  342  
10  10  1  A  A  0.42  0.38  260  342  
11  11  1  A  A  0.43  0.36  260  342  
12  12  1  A  A  0.41  0.35  260  342  
13  13  1  A  A  0.44  0.37  260  342  
14  14  1  A  A  0.44  0.37  260  342  
15  15  1  A  A  0.40  0.35  260  342  
16  16  1  A  A  0.42  0.36  260  342  
17  17  1  A  A  0.43  0.37  260  342  
18  18  1  A  A  0.42  0.37  260  342  
19  19  1  A  A  0.44  0.37  260  342  
20  20  1  A  A  0.42  0.36  260  342  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              2.07
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.94
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   5.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       5.33
_pdbx_vrpt_summary_geometry.clashscore                                 6.78
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.02
_pdbx_vrpt_summary_geometry.num_H_reduce                               5420
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             5200
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.36
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            6840
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.42
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            1
_pdbx_vrpt_summary_nmr.medoid_model                             4
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              71.32
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  71.08
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1   1  1  A   1  ALA  A   0  .  ?        ?  
  2   1  1  A   2  THR  A   1  .  ?        ?  
  3   1  1  A   3  LYS  A   2  .  ?        ?  
  4   1  1  A   4  PRO  A   3  .  ?        ?  
  5   1  1  A   5  CYS  A   4  .  ?        ?  
  6   1  1  A   6  GLN  A   5  .  ?        ?  
  7   1  1  A   7  SER  A   6  .  ?        1  
  8   1  1  A   8  ASP  A   7  .  ?        ?  
  9   1  1  A   9  LYS  A   8  .  ?        ?  
 10   1  1  A  10  ASP  A   9  .  ?        ?  
 11   1  1  A  11  CYS  A  10  .  ?        1  
 12   1  1  A  12  LYS  A  11  .  ?        ?  
 13   1  1  A  13  LYS  A  12  .  ?        ?  
 14   1  1  A  14  PHE  A  13  .  ?        ?  
 15   1  1  A  15  ALA  A  14  .  ?        ?  
 16   1  1  A  16  CYS  A  15  .  ?        1  
 17   1  1  A  17  ARG  A  16  .  ?        ?  
 18   1  1  A  18  LYS  A  17  .  ?        1  
 19   1  1  A  19  PRO  A  18  .  ?        1  
 20   1  1  A  20  LYS  A  19  .  ?        ?  
 21   1  1  A  21  VAL  A  20  .  ?        ?  
 22   1  1  A  22  PRO  A  21  .  ?        1  
 23   1  1  A  23  LYS  A  22  .  ?        ?  
 24   1  1  A  24  CYS  A  23  .  ?        1  
 25   1  1  A  25  ILE  A  24  .  ?        ?  
 26   1  1  A  26  ASN  A  25  .  ?        ?  
 27   1  1  A  27  GLY  A  26  .  ?        ?  
 28   1  1  A  28  PHE  A  27  .  ?        1  
 29   1  1  A  29  CYS  A  28  .  ?        ?  
 30   1  1  A  30  LYS  A  29  .  ?        ?  
 31   1  1  A  31  CYS  A  30  .  ?        ?  
 32   1  1  A  32  VAL  A  31  .  ?        ?  
 33   1  1  A  33  ARG  A  32  .  ?        ?  
 34   2  1  A   1  ALA  A   0  .  ?        ?  
 35   2  1  A   2  THR  A   1  .  ?        ?  
 36   2  1  A   3  LYS  A   2  .  ?        2  
 37   2  1  A   4  PRO  A   3  .  ?        ?  
 38   2  1  A   5  CYS  A   4  .  ?        ?  
 39   2  1  A   6  GLN  A   5  .  ?        ?  
 40   2  1  A   7  SER  A   6  .  ?        ?  
 41   2  1  A   8  ASP  A   7  .  ?        ?  
 42   2  1  A   9  LYS  A   8  .  ?        ?  
 43   2  1  A  10  ASP  A   9  .  ?        ?  
 44   2  1  A  11  CYS  A  10  .  ?        ?  
 45   2  1  A  12  LYS  A  11  .  ?        ?  
 46   2  1  A  13  LYS  A  12  .  ?        ?  
 47   2  1  A  14  PHE  A  13  .  ?        ?  
 48   2  1  A  15  ALA  A  14  .  ?        ?  
 49   2  1  A  16  CYS  A  15  .  ?        1  
 50   2  1  A  17  ARG  A  16  .  ?        ?  
 51   2  1  A  18  LYS  A  17  .  ?        3  
 52   2  1  A  19  PRO  A  18  .  ?        1  
 53   2  1  A  20  LYS  A  19  .  ?        ?  
 54   2  1  A  21  VAL  A  20  .  ?        ?  
 55   2  1  A  22  PRO  A  21  .  ?        1  
 56   2  1  A  23  LYS  A  22  .  ?        ?  
 57   2  1  A  24  CYS  A  23  .  ?        ?  
 58   2  1  A  25  ILE  A  24  .  ?        ?  
 59   2  1  A  26  ASN  A  25  .  ?        ?  
 60   2  1  A  27  GLY  A  26  .  ?        ?  
 61   2  1  A  28  PHE  A  27  .  ?        ?  
 62   2  1  A  29  CYS  A  28  .  ?        ?  
 63   2  1  A  30  LYS  A  29  .  ?        ?  
 64   2  1  A  31  CYS  A  30  .  ?        ?  
 65   2  1  A  32  VAL  A  31  .  ?        ?  
 66   2  1  A  33  ARG  A  32  .  ?        ?  
 67   3  1  A   1  ALA  A   0  .  ?        ?  
 68   3  1  A   2  THR  A   1  .  ?        ?  
 69   3  1  A   3  LYS  A   2  .  ?        ?  
 70   3  1  A   4  PRO  A   3  .  ?        ?  
 71   3  1  A   5  CYS  A   4  .  ?        1  
 72   3  1  A   6  GLN  A   5  .  ?        ?  
 73   3  1  A   7  SER  A   6  .  ?        ?  
 74   3  1  A   8  ASP  A   7  .  ?        1  
 75   3  1  A   9  LYS  A   8  .  ?        ?  
 76   3  1  A  10  ASP  A   9  .  ?        ?  
 77   3  1  A  11  CYS  A  10  .  ?        1  
 78   3  1  A  12  LYS  A  11  .  ?        ?  
 79   3  1  A  13  LYS  A  12  .  ?        ?  
 80   3  1  A  14  PHE  A  13  .  ?        ?  
 81   3  1  A  15  ALA  A  14  .  ?        ?  
 82   3  1  A  16  CYS  A  15  .  ?        ?  
 83   3  1  A  17  ARG  A  16  .  ?        ?  
 84   3  1  A  18  LYS  A  17  .  ?        2  
 85   3  1  A  19  PRO  A  18  .  ?        1  
 86   3  1  A  20  LYS  A  19  .  ?        1  
 87   3  1  A  21  VAL  A  20  .  ?        ?  
 88   3  1  A  22  PRO  A  21  .  ?        ?  
 89   3  1  A  23  LYS  A  22  .  ?        ?  
 90   3  1  A  24  CYS  A  23  .  ?        1  
 91   3  1  A  25  ILE  A  24  .  ?        ?  
 92   3  1  A  26  ASN  A  25  .  ?        ?  
 93   3  1  A  27  GLY  A  26  .  ?        ?  
 94   3  1  A  28  PHE  A  27  .  ?        ?  
 95   3  1  A  29  CYS  A  28  .  ?        ?  
 96   3  1  A  30  LYS  A  29  .  ?        ?  
 97   3  1  A  31  CYS  A  30  .  ?        ?  
 98   3  1  A  32  VAL  A  31  .  ?        ?  
 99   3  1  A  33  ARG  A  32  .  ?        ?  
100   4  1  A   1  ALA  A   0  .  ?        ?  
101   4  1  A   2  THR  A   1  .  ?        ?  
102   4  1  A   3  LYS  A   2  .  ?        ?  
103   4  1  A   4  PRO  A   3  .  ?        ?  
104   4  1  A   5  CYS  A   4  .  ?        ?  
105   4  1  A   6  GLN  A   5  .  ?        ?  
106   4  1  A   7  SER  A   6  .  ?        ?  
107   4  1  A   8  ASP  A   7  .  ?        ?  
108   4  1  A   9  LYS  A   8  .  ?        ?  
109   4  1  A  10  ASP  A   9  .  ?        ?  
110   4  1  A  11  CYS  A  10  .  ?        ?  
111   4  1  A  12  LYS  A  11  .  ?        ?  
112   4  1  A  13  LYS  A  12  .  ?        ?  
113   4  1  A  14  PHE  A  13  .  ?        ?  
114   4  1  A  15  ALA  A  14  .  ?        ?  
115   4  1  A  16  CYS  A  15  .  ?        ?  
116   4  1  A  17  ARG  A  16  .  ?        ?  
117   4  1  A  18  LYS  A  17  .  ?        3  
118   4  1  A  19  PRO  A  18  .  ?        1  
119   4  1  A  20  LYS  A  19  .  ?        ?  
120   4  1  A  21  VAL  A  20  .  ?        ?  
121   4  1  A  22  PRO  A  21  .  ?        ?  
122   4  1  A  23  LYS  A  22  .  ?        ?  
123   4  1  A  24  CYS  A  23  .  ?        ?  
124   4  1  A  25  ILE  A  24  .  ?        ?  
125   4  1  A  26  ASN  A  25  .  ?        ?  
126   4  1  A  27  GLY  A  26  .  ?        ?  
127   4  1  A  28  PHE  A  27  .  ?        ?  
128   4  1  A  29  CYS  A  28  .  ?        ?  
129   4  1  A  30  LYS  A  29  .  ?        ?  
130   4  1  A  31  CYS  A  30  .  ?        ?  
131   4  1  A  32  VAL  A  31  .  ?        ?  
132   4  1  A  33  ARG  A  32  .  ?        ?  
133   5  1  A   1  ALA  A   0  .  ?        ?  
134   5  1  A   2  THR  A   1  .  ?        ?  
135   5  1  A   3  LYS  A   2  .  ?        ?  
136   5  1  A   4  PRO  A   3  .  ?        ?  
137   5  1  A   5  CYS  A   4  .  ?        ?  
138   5  1  A   6  GLN  A   5  .  ?        ?  
139   5  1  A   7  SER  A   6  .  ?        ?  
140   5  1  A   8  ASP  A   7  .  ?        ?  
141   5  1  A   9  LYS  A   8  .  ?        2  
142   5  1  A  10  ASP  A   9  .  ?        ?  
143   5  1  A  11  CYS  A  10  .  ?        ?  
144   5  1  A  12  LYS  A  11  .  ?        2  
145   5  1  A  13  LYS  A  12  .  ?        ?  
146   5  1  A  14  PHE  A  13  .  ?        ?  
147   5  1  A  15  ALA  A  14  .  ?        ?  
148   5  1  A  16  CYS  A  15  .  ?        1  
149   5  1  A  17  ARG  A  16  .  ?        1  
150   5  1  A  18  LYS  A  17  .  ?        ?  
151   5  1  A  19  PRO  A  18  .  ?        ?  
152   5  1  A  20  LYS  A  19  .  ?        ?  
153   5  1  A  21  VAL  A  20  .  ?        ?  
154   5  1  A  22  PRO  A  21  .  ?        ?  
155   5  1  A  23  LYS  A  22  .  ?        ?  
156   5  1  A  24  CYS  A  23  .  ?        ?  
157   5  1  A  25  ILE  A  24  .  ?        ?  
158   5  1  A  26  ASN  A  25  .  ?        ?  
159   5  1  A  27  GLY  A  26  .  ?        ?  
160   5  1  A  28  PHE  A  27  .  ?        ?  
161   5  1  A  29  CYS  A  28  .  ?        ?  
162   5  1  A  30  LYS  A  29  .  ?        ?  
163   5  1  A  31  CYS  A  30  .  ?        ?  
164   5  1  A  32  VAL  A  31  .  ?        ?  
165   5  1  A  33  ARG  A  32  .  ?        ?  
166   6  1  A   1  ALA  A   0  .  ?        ?  
167   6  1  A   2  THR  A   1  .  ?        ?  
168   6  1  A   3  LYS  A   2  .  ?        ?  
169   6  1  A   4  PRO  A   3  .  ?        ?  
170   6  1  A   5  CYS  A   4  .  ?        ?  
171   6  1  A   6  GLN  A   5  .  ?        1  
172   6  1  A   7  SER  A   6  .  ?        ?  
173   6  1  A   8  ASP  A   7  .  ?        ?  
174   6  1  A   9  LYS  A   8  .  ?        ?  
175   6  1  A  10  ASP  A   9  .  ?        ?  
176   6  1  A  11  CYS  A  10  .  ?        ?  
177   6  1  A  12  LYS  A  11  .  ?        2  
178   6  1  A  13  LYS  A  12  .  ?        ?  
179   6  1  A  14  PHE  A  13  .  ?        ?  
180   6  1  A  15  ALA  A  14  .  ?        ?  
181   6  1  A  16  CYS  A  15  .  ?        1  
182   6  1  A  17  ARG  A  16  .  ?        1  
183   6  1  A  18  LYS  A  17  .  ?        ?  
184   6  1  A  19  PRO  A  18  .  ?        ?  
185   6  1  A  20  LYS  A  19  .  ?        ?  
186   6  1  A  21  VAL  A  20  .  ?        ?  
187   6  1  A  22  PRO  A  21  .  ?        ?  
188   6  1  A  23  LYS  A  22  .  ?        ?  
189   6  1  A  24  CYS  A  23  .  ?        ?  
190   6  1  A  25  ILE  A  24  .  ?        1  
191   6  1  A  26  ASN  A  25  .  ?        ?  
192   6  1  A  27  GLY  A  26  .  ?        ?  
193   6  1  A  28  PHE  A  27  .  ?        ?  
194   6  1  A  29  CYS  A  28  .  ?        ?  
195   6  1  A  30  LYS  A  29  .  ?        ?  
196   6  1  A  31  CYS  A  30  .  ?        ?  
197   6  1  A  32  VAL  A  31  .  ?        ?  
198   6  1  A  33  ARG  A  32  .  ?        ?  
199   7  1  A   1  ALA  A   0  .  ?        ?  
200   7  1  A   2  THR  A   1  .  ?        ?  
201   7  1  A   3  LYS  A   2  .  ?        ?  
202   7  1  A   4  PRO  A   3  .  ?        1  
203   7  1  A   5  CYS  A   4  .  ?        ?  
204   7  1  A   6  GLN  A   5  .  ?        ?  
205   7  1  A   7  SER  A   6  .  ?        ?  
206   7  1  A   8  ASP  A   7  .  ?        ?  
207   7  1  A   9  LYS  A   8  .  ?        ?  
208   7  1  A  10  ASP  A   9  .  ?        ?  
209   7  1  A  11  CYS  A  10  .  ?        ?  
210   7  1  A  12  LYS  A  11  .  ?        ?  
211   7  1  A  13  LYS  A  12  .  ?        2  
212   7  1  A  14  PHE  A  13  .  ?        ?  
213   7  1  A  15  ALA  A  14  .  ?        ?  
214   7  1  A  16  CYS  A  15  .  ?        ?  
215   7  1  A  17  ARG  A  16  .  ?        ?  
216   7  1  A  18  LYS  A  17  .  ?        ?  
217   7  1  A  19  PRO  A  18  .  ?        ?  
218   7  1  A  20  LYS  A  19  .  ?        ?  
219   7  1  A  21  VAL  A  20  .  ?        ?  
220   7  1  A  22  PRO  A  21  .  ?        ?  
221   7  1  A  23  LYS  A  22  .  ?        1  
222   7  1  A  24  CYS  A  23  .  ?        ?  
223   7  1  A  25  ILE  A  24  .  ?        ?  
224   7  1  A  26  ASN  A  25  .  ?        ?  
225   7  1  A  27  GLY  A  26  .  ?        ?  
226   7  1  A  28  PHE  A  27  .  ?        ?  
227   7  1  A  29  CYS  A  28  .  ?        ?  
228   7  1  A  30  LYS  A  29  .  ?        ?  
229   7  1  A  31  CYS  A  30  .  ?        ?  
230   7  1  A  32  VAL  A  31  .  ?        ?  
231   7  1  A  33  ARG  A  32  .  ?        ?  
232   8  1  A   1  ALA  A   0  .  ?        ?  
233   8  1  A   2  THR  A   1  .  ?        ?  
234   8  1  A   3  LYS  A   2  .  ?        ?  
235   8  1  A   4  PRO  A   3  .  ?        ?  
236   8  1  A   5  CYS  A   4  .  ?        ?  
237   8  1  A   6  GLN  A   5  .  ?        1  
238   8  1  A   7  SER  A   6  .  ?        ?  
239   8  1  A   8  ASP  A   7  .  ?        ?  
240   8  1  A   9  LYS  A   8  .  ?        ?  
241   8  1  A  10  ASP  A   9  .  ?        ?  
242   8  1  A  11  CYS  A  10  .  ?        ?  
243   8  1  A  12  LYS  A  11  .  ?        ?  
244   8  1  A  13  LYS  A  12  .  ?        ?  
245   8  1  A  14  PHE  A  13  .  ?        ?  
246   8  1  A  15  ALA  A  14  .  ?        ?  
247   8  1  A  16  CYS  A  15  .  ?        ?  
248   8  1  A  17  ARG  A  16  .  ?        ?  
249   8  1  A  18  LYS  A  17  .  ?        1  
250   8  1  A  19  PRO  A  18  .  ?        1  
251   8  1  A  20  LYS  A  19  .  ?        ?  
252   8  1  A  21  VAL  A  20  .  ?        ?  
253   8  1  A  22  PRO  A  21  .  ?        ?  
254   8  1  A  23  LYS  A  22  .  ?        ?  
255   8  1  A  24  CYS  A  23  .  ?        ?  
256   8  1  A  25  ILE  A  24  .  ?        1  
257   8  1  A  26  ASN  A  25  .  ?        ?  
258   8  1  A  27  GLY  A  26  .  ?        ?  
259   8  1  A  28  PHE  A  27  .  ?        ?  
260   8  1  A  29  CYS  A  28  .  ?        ?  
261   8  1  A  30  LYS  A  29  .  ?        ?  
262   8  1  A  31  CYS  A  30  .  ?        ?  
263   8  1  A  32  VAL  A  31  .  ?        ?  
264   8  1  A  33  ARG  A  32  .  ?        ?  
265   9  1  A   1  ALA  A   0  .  ?        ?  
266   9  1  A   2  THR  A   1  .  ?        ?  
267   9  1  A   3  LYS  A   2  .  ?        ?  
268   9  1  A   4  PRO  A   3  .  ?        ?  
269   9  1  A   5  CYS  A   4  .  ?        ?  
270   9  1  A   6  GLN  A   5  .  ?        ?  
271   9  1  A   7  SER  A   6  .  ?        ?  
272   9  1  A   8  ASP  A   7  .  ?        ?  
273   9  1  A   9  LYS  A   8  .  ?        ?  
274   9  1  A  10  ASP  A   9  .  ?        ?  
275   9  1  A  11  CYS  A  10  .  ?        ?  
276   9  1  A  12  LYS  A  11  .  ?        ?  
277   9  1  A  13  LYS  A  12  .  ?        ?  
278   9  1  A  14  PHE  A  13  .  ?        ?  
279   9  1  A  15  ALA  A  14  .  ?        ?  
280   9  1  A  16  CYS  A  15  .  ?        ?  
281   9  1  A  17  ARG  A  16  .  ?        ?  
282   9  1  A  18  LYS  A  17  .  ?        1  
283   9  1  A  19  PRO  A  18  .  ?        1  
284   9  1  A  20  LYS  A  19  .  ?        ?  
285   9  1  A  21  VAL  A  20  .  ?        ?  
286   9  1  A  22  PRO  A  21  .  ?        ?  
287   9  1  A  23  LYS  A  22  .  ?        ?  
288   9  1  A  24  CYS  A  23  .  ?        ?  
289   9  1  A  25  ILE  A  24  .  ?        ?  
290   9  1  A  26  ASN  A  25  .  ?        ?  
291   9  1  A  27  GLY  A  26  .  ?        ?  
292   9  1  A  28  PHE  A  27  .  ?        ?  
293   9  1  A  29  CYS  A  28  .  ?        ?  
294   9  1  A  30  LYS  A  29  .  ?        ?  
295   9  1  A  31  CYS  A  30  .  ?        ?  
296   9  1  A  32  VAL  A  31  .  ?        ?  
297   9  1  A  33  ARG  A  32  .  ?        ?  
298  10  1  A   1  ALA  A   0  .  ?        ?  
299  10  1  A   2  THR  A   1  .  ?        ?  
300  10  1  A   3  LYS  A   2  .  ?        2  
301  10  1  A   4  PRO  A   3  .  ?        ?  
302  10  1  A   5  CYS  A   4  .  ?        1  
303  10  1  A   6  GLN  A   5  .  ?        ?  
304  10  1  A   7  SER  A   6  .  ?        ?  
305  10  1  A   8  ASP  A   7  .  ?        1  
306  10  1  A   9  LYS  A   8  .  ?        ?  
307  10  1  A  10  ASP  A   9  .  ?        ?  
308  10  1  A  11  CYS  A  10  .  ?        ?  
309  10  1  A  12  LYS  A  11  .  ?        2  
310  10  1  A  13  LYS  A  12  .  ?        ?  
311  10  1  A  14  PHE  A  13  .  ?        ?  
312  10  1  A  15  ALA  A  14  .  ?        ?  
313  10  1  A  16  CYS  A  15  .  ?        ?  
314  10  1  A  17  ARG  A  16  .  ?        ?  
315  10  1  A  18  LYS  A  17  .  ?        1  
316  10  1  A  19  PRO  A  18  .  ?        2  
317  10  1  A  20  LYS  A  19  .  ?        ?  
318  10  1  A  21  VAL  A  20  .  ?        ?  
319  10  1  A  22  PRO  A  21  .  ?        ?  
320  10  1  A  23  LYS  A  22  .  ?        ?  
321  10  1  A  24  CYS  A  23  .  ?        ?  
322  10  1  A  25  ILE  A  24  .  ?        ?  
323  10  1  A  26  ASN  A  25  .  ?        ?  
324  10  1  A  27  GLY  A  26  .  ?        ?  
325  10  1  A  28  PHE  A  27  .  ?        ?  
326  10  1  A  29  CYS  A  28  .  ?        ?  
327  10  1  A  30  LYS  A  29  .  ?        ?  
328  10  1  A  31  CYS  A  30  .  ?        1  
329  10  1  A  32  VAL  A  31  .  ?        ?  
330  10  1  A  33  ARG  A  32  .  ?        2  
331  11  1  A   1  ALA  A   0  .  ?        ?  
332  11  1  A   2  THR  A   1  .  ?        ?  
333  11  1  A   3  LYS  A   2  .  ?        2  
334  11  1  A   4  PRO  A   3  .  ?        1  
335  11  1  A   5  CYS  A   4  .  ?        2  
336  11  1  A   6  GLN  A   5  .  ?        ?  
337  11  1  A   7  SER  A   6  .  ?        ?  
338  11  1  A   8  ASP  A   7  .  ?        ?  
339  11  1  A   9  LYS  A   8  .  ?        ?  
340  11  1  A  10  ASP  A   9  .  ?        ?  
341  11  1  A  11  CYS  A  10  .  ?        ?  
342  11  1  A  12  LYS  A  11  .  ?        ?  
343  11  1  A  13  LYS  A  12  .  ?        ?  
344  11  1  A  14  PHE  A  13  .  ?        ?  
345  11  1  A  15  ALA  A  14  .  ?        ?  
346  11  1  A  16  CYS  A  15  .  ?        ?  
347  11  1  A  17  ARG  A  16  .  ?        ?  
348  11  1  A  18  LYS  A  17  .  ?        1  
349  11  1  A  19  PRO  A  18  .  ?        1  
350  11  1  A  20  LYS  A  19  .  ?        2  
351  11  1  A  21  VAL  A  20  .  ?        ?  
352  11  1  A  22  PRO  A  21  .  ?        ?  
353  11  1  A  23  LYS  A  22  .  ?        1  
354  11  1  A  24  CYS  A  23  .  ?        2  
355  11  1  A  25  ILE  A  24  .  ?        ?  
356  11  1  A  26  ASN  A  25  .  ?        ?  
357  11  1  A  27  GLY  A  26  .  ?        ?  
358  11  1  A  28  PHE  A  27  .  ?        ?  
359  11  1  A  29  CYS  A  28  .  ?        ?  
360  11  1  A  30  LYS  A  29  .  ?        ?  
361  11  1  A  31  CYS  A  30  .  ?        ?  
362  11  1  A  32  VAL  A  31  .  ?        ?  
363  11  1  A  33  ARG  A  32  .  ?        ?  
364  12  1  A   1  ALA  A   0  .  ?        ?  
365  12  1  A   2  THR  A   1  .  ?        ?  
366  12  1  A   3  LYS  A   2  .  ?        ?  
367  12  1  A   4  PRO  A   3  .  ?        ?  
368  12  1  A   5  CYS  A   4  .  ?        ?  
369  12  1  A   6  GLN  A   5  .  ?        ?  
370  12  1  A   7  SER  A   6  .  ?        ?  
371  12  1  A   8  ASP  A   7  .  ?        ?  
372  12  1  A   9  LYS  A   8  .  ?        ?  
373  12  1  A  10  ASP  A   9  .  ?        ?  
374  12  1  A  11  CYS  A  10  .  ?        ?  
375  12  1  A  12  LYS  A  11  .  ?        ?  
376  12  1  A  13  LYS  A  12  .  ?        ?  
377  12  1  A  14  PHE  A  13  .  ?        ?  
378  12  1  A  15  ALA  A  14  .  ?        ?  
379  12  1  A  16  CYS  A  15  .  ?        1  
380  12  1  A  17  ARG  A  16  .  ?        1  
381  12  1  A  18  LYS  A  17  .  ?        1  
382  12  1  A  19  PRO  A  18  .  ?        2  
383  12  1  A  20  LYS  A  19  .  ?        1  
384  12  1  A  21  VAL  A  20  .  ?        ?  
385  12  1  A  22  PRO  A  21  .  ?        1  
386  12  1  A  23  LYS  A  22  .  ?        ?  
387  12  1  A  24  CYS  A  23  .  ?        ?  
388  12  1  A  25  ILE  A  24  .  ?        ?  
389  12  1  A  26  ASN  A  25  .  ?        ?  
390  12  1  A  27  GLY  A  26  .  ?        ?  
391  12  1  A  28  PHE  A  27  .  ?        ?  
392  12  1  A  29  CYS  A  28  .  ?        ?  
393  12  1  A  30  LYS  A  29  .  ?        ?  
394  12  1  A  31  CYS  A  30  .  ?        ?  
395  12  1  A  32  VAL  A  31  .  ?        1  
396  12  1  A  33  ARG  A  32  .  ?        ?  
397  13  1  A   1  ALA  A   0  .  ?        ?  
398  13  1  A   2  THR  A   1  .  ?        ?  
399  13  1  A   3  LYS  A   2  .  ?        2  
400  13  1  A   4  PRO  A   3  .  ?        ?  
401  13  1  A   5  CYS  A   4  .  ?        4  
402  13  1  A   6  GLN  A   5  .  ?        ?  
403  13  1  A   7  SER  A   6  .  ?        2  
404  13  1  A   8  ASP  A   7  .  ?        2  
405  13  1  A   9  LYS  A   8  .  ?        ?  
406  13  1  A  10  ASP  A   9  .  ?        ?  
407  13  1  A  11  CYS  A  10  .  ?        ?  
408  13  1  A  12  LYS  A  11  .  ?        ?  
409  13  1  A  13  LYS  A  12  .  ?        ?  
410  13  1  A  14  PHE  A  13  .  ?        ?  
411  13  1  A  15  ALA  A  14  .  ?        ?  
412  13  1  A  16  CYS  A  15  .  ?        ?  
413  13  1  A  17  ARG  A  16  .  ?        ?  
414  13  1  A  18  LYS  A  17  .  ?        ?  
415  13  1  A  19  PRO  A  18  .  ?        ?  
416  13  1  A  20  LYS  A  19  .  ?        ?  
417  13  1  A  21  VAL  A  20  .  ?        ?  
418  13  1  A  22  PRO  A  21  .  ?        ?  
419  13  1  A  23  LYS  A  22  .  ?        ?  
420  13  1  A  24  CYS  A  23  .  ?        ?  
421  13  1  A  25  ILE  A  24  .  ?        ?  
422  13  1  A  26  ASN  A  25  .  ?        ?  
423  13  1  A  27  GLY  A  26  .  ?        ?  
424  13  1  A  28  PHE  A  27  .  ?        ?  
425  13  1  A  29  CYS  A  28  .  ?        ?  
426  13  1  A  30  LYS  A  29  .  ?        ?  
427  13  1  A  31  CYS  A  30  .  ?        ?  
428  13  1  A  32  VAL  A  31  .  ?        ?  
429  13  1  A  33  ARG  A  32  .  ?        ?  
430  14  1  A   1  ALA  A   0  .  ?        ?  
431  14  1  A   2  THR  A   1  .  ?        ?  
432  14  1  A   3  LYS  A   2  .  ?        ?  
433  14  1  A   4  PRO  A   3  .  ?        ?  
434  14  1  A   5  CYS  A   4  .  ?        ?  
435  14  1  A   6  GLN  A   5  .  ?        1  
436  14  1  A   7  SER  A   6  .  ?        ?  
437  14  1  A   8  ASP  A   7  .  ?        ?  
438  14  1  A   9  LYS  A   8  .  ?        ?  
439  14  1  A  10  ASP  A   9  .  ?        ?  
440  14  1  A  11  CYS  A  10  .  ?        ?  
441  14  1  A  12  LYS  A  11  .  ?        ?  
442  14  1  A  13  LYS  A  12  .  ?        ?  
443  14  1  A  14  PHE  A  13  .  ?        ?  
444  14  1  A  15  ALA  A  14  .  ?        ?  
445  14  1  A  16  CYS  A  15  .  ?        ?  
446  14  1  A  17  ARG  A  16  .  ?        ?  
447  14  1  A  18  LYS  A  17  .  ?        1  
448  14  1  A  19  PRO  A  18  .  ?        1  
449  14  1  A  20  LYS  A  19  .  ?        1  
450  14  1  A  21  VAL  A  20  .  ?        1  
451  14  1  A  22  PRO  A  21  .  ?        ?  
452  14  1  A  23  LYS  A  22  .  ?        ?  
453  14  1  A  24  CYS  A  23  .  ?        1  
454  14  1  A  25  ILE  A  24  .  ?        ?  
455  14  1  A  26  ASN  A  25  .  ?        ?  
456  14  1  A  27  GLY  A  26  .  ?        ?  
457  14  1  A  28  PHE  A  27  .  ?        ?  
458  14  1  A  29  CYS  A  28  .  ?        ?  
459  14  1  A  30  LYS  A  29  .  ?        ?  
460  14  1  A  31  CYS  A  30  .  ?        ?  
461  14  1  A  32  VAL  A  31  .  ?        ?  
462  14  1  A  33  ARG  A  32  .  ?        ?  
463  15  1  A   1  ALA  A   0  .  ?        ?  
464  15  1  A   2  THR  A   1  .  ?        ?  
465  15  1  A   3  LYS  A   2  .  ?        ?  
466  15  1  A   4  PRO  A   3  .  ?        ?  
467  15  1  A   5  CYS  A   4  .  ?        1  
468  15  1  A   6  GLN  A   5  .  ?        1  
469  15  1  A   7  SER  A   6  .  ?        ?  
470  15  1  A   8  ASP  A   7  .  ?        1  
471  15  1  A   9  LYS  A   8  .  ?        2  
472  15  1  A  10  ASP  A   9  .  ?        ?  
473  15  1  A  11  CYS  A  10  .  ?        1  
474  15  1  A  12  LYS  A  11  .  ?        ?  
475  15  1  A  13  LYS  A  12  .  ?        1  
476  15  1  A  14  PHE  A  13  .  ?        1  
477  15  1  A  15  ALA  A  14  .  ?        ?  
478  15  1  A  16  CYS  A  15  .  ?        ?  
479  15  1  A  17  ARG  A  16  .  ?        ?  
480  15  1  A  18  LYS  A  17  .  ?        ?  
481  15  1  A  19  PRO  A  18  .  ?        ?  
482  15  1  A  20  LYS  A  19  .  ?        2  
483  15  1  A  21  VAL  A  20  .  ?        ?  
484  15  1  A  22  PRO  A  21  .  ?        2  
485  15  1  A  23  LYS  A  22  .  ?        ?  
486  15  1  A  24  CYS  A  23  .  ?        ?  
487  15  1  A  25  ILE  A  24  .  ?        ?  
488  15  1  A  26  ASN  A  25  .  ?        1  
489  15  1  A  27  GLY  A  26  .  ?        ?  
490  15  1  A  28  PHE  A  27  .  ?        ?  
491  15  1  A  29  CYS  A  28  .  ?        ?  
492  15  1  A  30  LYS  A  29  .  ?        1  
493  15  1  A  31  CYS  A  30  .  ?        ?  
494  15  1  A  32  VAL  A  31  .  ?        ?  
495  15  1  A  33  ARG  A  32  .  ?        ?  
496  16  1  A   1  ALA  A   0  .  ?        ?  
497  16  1  A   2  THR  A   1  .  ?        ?  
498  16  1  A   3  LYS  A   2  .  ?        ?  
499  16  1  A   4  PRO  A   3  .  ?        1  
500  16  1  A   5  CYS  A   4  .  ?        1  
501  16  1  A   6  GLN  A   5  .  ?        ?  
502  16  1  A   7  SER  A   6  .  ?        ?  
503  16  1  A   8  ASP  A   7  .  ?        1  
504  16  1  A   9  LYS  A   8  .  ?        ?  
505  16  1  A  10  ASP  A   9  .  ?        ?  
506  16  1  A  11  CYS  A  10  .  ?        ?  
507  16  1  A  12  LYS  A  11  .  ?        ?  
508  16  1  A  13  LYS  A  12  .  ?        ?  
509  16  1  A  14  PHE  A  13  .  ?        ?  
510  16  1  A  15  ALA  A  14  .  ?        ?  
511  16  1  A  16  CYS  A  15  .  ?        ?  
512  16  1  A  17  ARG  A  16  .  ?        ?  
513  16  1  A  18  LYS  A  17  .  ?        ?  
514  16  1  A  19  PRO  A  18  .  ?        ?  
515  16  1  A  20  LYS  A  19  .  ?        ?  
516  16  1  A  21  VAL  A  20  .  ?        ?  
517  16  1  A  22  PRO  A  21  .  ?        ?  
518  16  1  A  23  LYS  A  22  .  ?        1  
519  16  1  A  24  CYS  A  23  .  ?        ?  
520  16  1  A  25  ILE  A  24  .  ?        ?  
521  16  1  A  26  ASN  A  25  .  ?        ?  
522  16  1  A  27  GLY  A  26  .  ?        ?  
523  16  1  A  28  PHE  A  27  .  ?        ?  
524  16  1  A  29  CYS  A  28  .  ?        ?  
525  16  1  A  30  LYS  A  29  .  ?        ?  
526  16  1  A  31  CYS  A  30  .  ?        ?  
527  16  1  A  32  VAL  A  31  .  ?        ?  
528  16  1  A  33  ARG  A  32  .  ?        ?  
529  17  1  A   1  ALA  A   0  .  ?        ?  
530  17  1  A   2  THR  A   1  .  ?        ?  
531  17  1  A   3  LYS  A   2  .  ?        1  
532  17  1  A   4  PRO  A   3  .  ?        ?  
533  17  1  A   5  CYS  A   4  .  ?        ?  
534  17  1  A   6  GLN  A   5  .  ?        ?  
535  17  1  A   7  SER  A   6  .  ?        ?  
536  17  1  A   8  ASP  A   7  .  ?        ?  
537  17  1  A   9  LYS  A   8  .  ?        ?  
538  17  1  A  10  ASP  A   9  .  ?        ?  
539  17  1  A  11  CYS  A  10  .  ?        ?  
540  17  1  A  12  LYS  A  11  .  ?        ?  
541  17  1  A  13  LYS  A  12  .  ?        2  
542  17  1  A  14  PHE  A  13  .  ?        ?  
543  17  1  A  15  ALA  A  14  .  ?        ?  
544  17  1  A  16  CYS  A  15  .  ?        ?  
545  17  1  A  17  ARG  A  16  .  ?        ?  
546  17  1  A  18  LYS  A  17  .  ?        ?  
547  17  1  A  19  PRO  A  18  .  ?        ?  
548  17  1  A  20  LYS  A  19  .  ?        ?  
549  17  1  A  21  VAL  A  20  .  ?        ?  
550  17  1  A  22  PRO  A  21  .  ?        2  
551  17  1  A  23  LYS  A  22  .  ?        ?  
552  17  1  A  24  CYS  A  23  .  ?        ?  
553  17  1  A  25  ILE  A  24  .  ?        ?  
554  17  1  A  26  ASN  A  25  .  ?        ?  
555  17  1  A  27  GLY  A  26  .  ?        ?  
556  17  1  A  28  PHE  A  27  .  ?        ?  
557  17  1  A  29  CYS  A  28  .  ?        ?  
558  17  1  A  30  LYS  A  29  .  ?        1  
559  17  1  A  31  CYS  A  30  .  ?        ?  
560  17  1  A  32  VAL  A  31  .  ?        ?  
561  17  1  A  33  ARG  A  32  .  ?        ?  
562  18  1  A   1  ALA  A   0  .  ?        ?  
563  18  1  A   2  THR  A   1  .  ?        ?  
564  18  1  A   3  LYS  A   2  .  ?        ?  
565  18  1  A   4  PRO  A   3  .  ?        ?  
566  18  1  A   5  CYS  A   4  .  ?        1  
567  18  1  A   6  GLN  A   5  .  ?        1  
568  18  1  A   7  SER  A   6  .  ?        ?  
569  18  1  A   8  ASP  A   7  .  ?        1  
570  18  1  A   9  LYS  A   8  .  ?        2  
571  18  1  A  10  ASP  A   9  .  ?        ?  
572  18  1  A  11  CYS  A  10  .  ?        ?  
573  18  1  A  12  LYS  A  11  .  ?        ?  
574  18  1  A  13  LYS  A  12  .  ?        ?  
575  18  1  A  14  PHE  A  13  .  ?        ?  
576  18  1  A  15  ALA  A  14  .  ?        ?  
577  18  1  A  16  CYS  A  15  .  ?        ?  
578  18  1  A  17  ARG  A  16  .  ?        ?  
579  18  1  A  18  LYS  A  17  .  ?        1  
580  18  1  A  19  PRO  A  18  .  ?        1  
581  18  1  A  20  LYS  A  19  .  ?        ?  
582  18  1  A  21  VAL  A  20  .  ?        ?  
583  18  1  A  22  PRO  A  21  .  ?        ?  
584  18  1  A  23  LYS  A  22  .  ?        ?  
585  18  1  A  24  CYS  A  23  .  ?        ?  
586  18  1  A  25  ILE  A  24  .  ?        ?  
587  18  1  A  26  ASN  A  25  .  ?        1  
588  18  1  A  27  GLY  A  26  .  ?        ?  
589  18  1  A  28  PHE  A  27  .  ?        ?  
590  18  1  A  29  CYS  A  28  .  ?        ?  
591  18  1  A  30  LYS  A  29  .  ?        ?  
592  18  1  A  31  CYS  A  30  .  ?        ?  
593  18  1  A  32  VAL  A  31  .  ?        ?  
594  18  1  A  33  ARG  A  32  .  ?        ?  
595  19  1  A   1  ALA  A   0  .  ?        ?  
596  19  1  A   2  THR  A   1  .  ?        1  
597  19  1  A   3  LYS  A   2  .  ?        2  
598  19  1  A   4  PRO  A   3  .  ?        ?  
599  19  1  A   5  CYS  A   4  .  ?        ?  
600  19  1  A   6  GLN  A   5  .  ?        ?  
601  19  1  A   7  SER  A   6  .  ?        ?  
602  19  1  A   8  ASP  A   7  .  ?        2  
603  19  1  A   9  LYS  A   8  .  ?        ?  
604  19  1  A  10  ASP  A   9  .  ?        ?  
605  19  1  A  11  CYS  A  10  .  ?        1  
606  19  1  A  12  LYS  A  11  .  ?        ?  
607  19  1  A  13  LYS  A  12  .  ?        ?  
608  19  1  A  14  PHE  A  13  .  ?        ?  
609  19  1  A  15  ALA  A  14  .  ?        ?  
610  19  1  A  16  CYS  A  15  .  ?        ?  
611  19  1  A  17  ARG  A  16  .  ?        2  
612  19  1  A  18  LYS  A  17  .  ?        ?  
613  19  1  A  19  PRO  A  18  .  ?        ?  
614  19  1  A  20  LYS  A  19  .  ?        1  
615  19  1  A  21  VAL  A  20  .  ?        1  
616  19  1  A  22  PRO  A  21  .  ?        ?  
617  19  1  A  23  LYS  A  22  .  ?        ?  
618  19  1  A  24  CYS  A  23  .  ?        ?  
619  19  1  A  25  ILE  A  24  .  ?        ?  
620  19  1  A  26  ASN  A  25  .  ?        ?  
621  19  1  A  27  GLY  A  26  .  ?        ?  
622  19  1  A  28  PHE  A  27  .  ?        ?  
623  19  1  A  29  CYS  A  28  .  ?        ?  
624  19  1  A  30  LYS  A  29  .  ?        ?  
625  19  1  A  31  CYS  A  30  .  ?        ?  
626  19  1  A  32  VAL  A  31  .  ?        ?  
627  19  1  A  33  ARG  A  32  .  ?        ?  
628  20  1  A   1  ALA  A   0  .  ?        ?  
629  20  1  A   2  THR  A   1  .  ?        ?  
630  20  1  A   3  LYS  A   2  .  ?        ?  
631  20  1  A   4  PRO  A   3  .  ?        ?  
632  20  1  A   5  CYS  A   4  .  ?        1  
633  20  1  A   6  GLN  A   5  .  ?        1  
634  20  1  A   7  SER  A   6  .  ?        ?  
635  20  1  A   8  ASP  A   7  .  ?        1  
636  20  1  A   9  LYS  A   8  .  ?        ?  
637  20  1  A  10  ASP  A   9  .  ?        ?  
638  20  1  A  11  CYS  A  10  .  ?        ?  
639  20  1  A  12  LYS  A  11  .  ?        ?  
640  20  1  A  13  LYS  A  12  .  ?        ?  
641  20  1  A  14  PHE  A  13  .  ?        ?  
642  20  1  A  15  ALA  A  14  .  ?        ?  
643  20  1  A  16  CYS  A  15  .  ?        1  
644  20  1  A  17  ARG  A  16  .  ?        1  
645  20  1  A  18  LYS  A  17  .  ?        1  
646  20  1  A  19  PRO  A  18  .  ?        1  
647  20  1  A  20  LYS  A  19  .  ?        ?  
648  20  1  A  21  VAL  A  20  .  ?        ?  
649  20  1  A  22  PRO  A  21  .  ?        ?  
650  20  1  A  23  LYS  A  22  .  ?        ?  
651  20  1  A  24  CYS  A  23  .  ?        ?  
652  20  1  A  25  ILE  A  24  .  ?        1  
653  20  1  A  26  ASN  A  25  .  ?        ?  
654  20  1  A  27  GLY  A  26  .  ?        ?  
655  20  1  A  28  PHE  A  27  .  ?        ?  
656  20  1  A  29  CYS  A  28  .  ?        ?  
657  20  1  A  30  LYS  A  29  .  ?        ?  
658  20  1  A  31  CYS  A  30  .  ?        ?  
659  20  1  A  32  VAL  A  31  .  ?        ?  
660  20  1  A  33  ARG  A  32  .  ?        ?  
#
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.cis_peptide
_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  0.51   7  0.29  molprobity     ?  False  
  2    2  p        -105.2   119.3  Favored  ?      7   7  0.38  10  0.44  molprobity     ?  False  
  3    3  mttp      -93.3   136.4  Favored  ?     13   9  0.40  12  0.49  molprobity     ?  False  
  4    4  Cg_exo    -55.7    99.1  OUTLIER  ?      7   8  0.25  11  0.27  molprobity     1  True   
  5    5  t        -119.6   144.8  Favored  ?      4   6  0.35   8  0.70  molprobity     1  True   
  6    6  tp60      -27.1   -54.9  Allowed  ?      8   9  0.39  12  0.46  molprobity     1  True   
  7    7  m        -133.6    73.1  Allowed  ?      5   6  0.39   8  0.54  molprobity     1  True   
  8    8  p-10      -42.6   -31.5  Allowed  ?      4   8  0.30  11  0.36  molprobity     1  True   
  9    9  tttm      -55.0   -46.6  Favored  ?     13   9  0.32  11  0.34  molprobity     1  True   
 10   10  p30      -116.6    26.2  Favored  ?      4   8  0.24  11  0.37  molprobity     1  True   
 11   11  m         -99.3   143.1  Favored  ?      4   6  0.32   8  0.39  molprobity     1  True   
 12   12  mtmp?    -106.3   136.2  Favored  ?     13   9  0.38  11  0.47  molprobity     1  True   
 13   13  ttpp      -55.3   123.4  Favored  ?     13   9  0.33  11  0.41  molprobity     1  True   
 14   14  t80      -138.7   143.1  Favored  ?      9  12  0.38  16  0.22  molprobity     1  True   
 15   15  ?        -127.4   159.1  Favored  ?      5   5  0.28   7  0.29  molprobity     1  True   
 16   16  p        -145.6   167.7  Favored  ?      4   6  0.27   8  0.35  molprobity     1  True   
 17   17  ttt85     -66.6   137.2  Favored  ?     13  11  0.31  14  0.41  molprobity     1  True   
 18   18  ptpt      -43.5   128.8  Favored  Y     13   9  0.51  12  0.56  molprobity     1  True   
 19   19  Cg_exo    -62.0   142.2  Favored  ?      7   8  0.46  11  0.23  molprobity     1  True   
 20   20  pttm     -106.9     8.8  Favored  ?     13   9  0.29  11  0.43  molprobity     1  True   
 21   21  t        -114.3    93.7  Favored  ?      9   7  0.38  11  0.50  molprobity     1  True   
 22   22  Cg_endo   -81.6   101.5  Allowed  ?      7   8  0.39  11  0.42  molprobity     1  True   
 23   23  ttmt      -91.5   115.9  Favored  ?     13   9  0.29  11  0.23  molprobity     1  True   
 24   24  m        -101.7   113.4  Favored  ?      4   6  0.16   8  0.30  molprobity     1  True   
 25   25  mt       -141.1   135.5  Favored  ?     11   8  0.27  11  0.48  molprobity     1  True   
 26   26  m-20       56.7    33.1  Favored  ?      6   8  0.34  11  0.25  molprobity     1  True   
 27   27  ?          84.5   -10.2  Favored  ?      3   4  0.20   5  0.13  molprobity     1  True   
 28   28  m-85      -88.8   137.8  Favored  ?      9  12  0.34  16  0.20  molprobity     1  True   
 29   29  m        -138.0   124.4  Favored  ?      4   6  0.24   8  0.25  molprobity     1  True   
 30   30  tppp?    -158.3   171.7  Favored  ?     13   9  0.44  11  0.48  molprobity     1  True   
 31   31  m        -109.6   128.1  Favored  ?      4   6  0.22   8  0.59  molprobity     1  True   
 32   32  m        -121.0   171.7  Favored  ?      9   7  0.43  10  0.45  molprobity     1  True   
 33   33  tmm_?         ?       ?  ?        ?     13  11  0.52  11  0.65  molprobity     1  True   
 34   34  ?             ?       ?  ?        ?      7   5  0.60   7  0.32  molprobity     ?  False  
 35   35  m         -79.1   159.9  Favored  ?      7   7  0.43  10  0.26  molprobity     ?  False  
 36   36  mptt      -89.2   149.2  Favored  ?     13   9  0.43  12  0.53  molprobity     ?  False  
 37   37  Cg_exo    -42.8    98.2  OUTLIER  ?      7   8  0.26  11  0.33  molprobity     1  True   
 38   38  t        -115.8   151.8  Favored  ?      4   6  0.31   8  0.66  molprobity     1  True   
 39   39  pt20      -40.7   -36.0  Allowed  ?      8   9  0.39  12  0.40  molprobity     1  True   
 40   40  t        -143.5    73.2  Allowed  ?      5   6  0.52   8  0.77  molprobity     1  True   
 41   41  t70       -33.9   -52.7  Allowed  ?      4   8  0.39  11  0.46  molprobity     1  True   
 42   42  ttpp      -55.5   -46.1  Favored  ?     13   9  0.32  11  0.30  molprobity     1  True   
 43   43  m-20      -95.7     7.0  Favored  ?      4   8  0.31  11  0.40  molprobity     1  True   
 44   44  t         -99.7   143.6  Favored  ?      4   6  0.22   8  0.34  molprobity     1  True   
 45   45  ptpp?     -87.2   160.0  Favored  ?     13   9  0.34  11  0.25  molprobity     1  True   
 46   46  mttp      -82.5    84.4  Favored  ?     13   9  0.29  11  0.53  molprobity     1  True   
 47   47  t80       -75.5   142.7  Favored  ?      9  12  0.33  16  0.23  molprobity     1  True   
 48   48  ?        -128.0   127.0  Favored  ?      5   5  0.22   7  0.18  molprobity     1  True   
 49   49  p        -109.4   163.7  Favored  ?      4   6  0.24   8  0.29  molprobity     1  True   
 50   50  ptp180    -62.6   149.1  Favored  ?     13  11  0.28  14  0.64  molprobity     1  True   
 51   51  OUTLIER   -40.3   129.0  Allowed  Y     13   9  0.58  12  0.61  molprobity     1  True   
 52   52  Cg_exo    -58.5   151.1  Favored  ?      7   8  0.53  11  0.50  molprobity     1  True   
 53   53  OUTLIER   -93.5    -0.0  Favored  ?     13   9  0.46  11  0.49  molprobity     1  True   
 54   54  t        -119.1    93.6  Favored  ?      9   7  0.31  11  0.49  molprobity     1  True   
 55   55  Cg_endo   -85.3   102.6  Allowed  ?      7   8  0.33  11  0.26  molprobity     1  True   
 56   56  mtpt      -89.6   105.8  Favored  ?     13   9  0.35  11  0.22  molprobity     1  True   
 57   57  m        -101.4   107.1  Favored  ?      4   6  0.20   8  0.24  molprobity     1  True   
 58   58  mt       -134.3   141.5  Favored  ?     11   8  0.25  11  0.43  molprobity     1  True   
 59   59  m-20       52.8    32.7  Favored  ?      6   8  0.37  11  0.21  molprobity     1  True   
 60   60  ?          89.6   -16.0  Favored  ?      3   4  0.26   5  0.12  molprobity     1  True   
 61   61  m-85      -95.5   164.0  Favored  ?      9  12  0.33  16  0.15  molprobity     1  True   
 62   62  m        -137.8   134.4  Favored  ?      4   6  0.20   8  0.36  molprobity     1  True   
 63   63  mtpm?    -134.8   147.6  Favored  ?     13   9  0.37  11  0.35  molprobity     1  True   
 64   64  m        -110.4   123.8  Favored  ?      4   6  0.15   8  0.37  molprobity     1  True   
 65   65  m        -130.2   171.2  Favored  ?      9   7  0.30  10  0.40  molprobity     1  True   
 66   66  ptp180        ?       ?  ?        ?     13  11  0.56  11  0.49  molprobity     1  True   
 67   67  ?             ?       ?  ?        ?      7   5  0.47   7  0.34  molprobity     ?  False  
 68   68  p        -127.5   145.9  Favored  ?      7   7  0.38  10  0.45  molprobity     ?  False  
 69   69  mmtt      -70.2   125.7  Favored  ?     13   9  0.37  12  0.41  molprobity     ?  False  
 70   70  Cg_exo    -59.2   -32.6  Favored  ?      7   8  0.19  11  0.31  molprobity     1  True   
 71   71  t        -121.3   129.0  Favored  ?      4   6  0.36   8  0.55  molprobity     1  True   
 72   72  tp60      -42.9   -48.0  Favored  ?      8   9  0.36  12  0.28  molprobity     1  True   
 73   73  m        -119.5    72.2  Allowed  ?      5   6  0.39   8  0.56  molprobity     1  True   
 74   74  t70       -55.2   -19.2  Favored  ?      4   8  0.24  11  0.55  molprobity     1  True   
 75   75  mtpt      -51.5   -39.3  Favored  ?     13   9  0.28  11  0.26  molprobity     1  True   
 76   76  p-10     -126.8    13.3  Favored  ?      4   8  0.29  11  0.38  molprobity     1  True   
 77   77  t         -99.4   143.4  Favored  ?      4   6  0.16   8  0.44  molprobity     1  True   
 78   78  ttpt     -109.7   151.5  Favored  ?     13   9  0.36  11  0.33  molprobity     1  True   
 79   79  tttt      -80.3    98.5  Favored  ?     13   9  0.34  11  0.29  molprobity     1  True   
 80   80  m-85      -81.7   133.1  Favored  ?      9  12  0.38  16  0.19  molprobity     1  True   
 81   81  ?         -91.0   145.5  Favored  ?      5   5  0.26   7  0.29  molprobity     1  True   
 82   82  p        -146.4   159.1  Favored  ?      4   6  0.23   8  0.24  molprobity     1  True   
 83   83  mtt180    -74.6   149.0  Favored  ?     13  11  0.25  14  0.36  molprobity     1  True   
 84   84  mmtp      -41.5   122.5  Favored  Y     13   9  0.50  12  0.54  molprobity     1  True   
 85   85  Cg_endo   -61.4   144.0  Favored  ?      7   8  0.58  11  0.43  molprobity     1  True   
 86   86  pttt     -109.8     8.0  Favored  ?     13   9  0.35  11  0.48  molprobity     1  True   
 87   87  t        -115.5    89.9  Favored  ?      9   7  0.38  11  0.52  molprobity     1  True   
 88   88  Cg_endo   -73.3   147.8  Favored  ?      7   8  0.26  11  0.28  molprobity     1  True   
 89   89  pttp     -142.1   133.1  Favored  ?     13   9  0.32  11  0.30  molprobity     1  True   
 90   90  m        -126.4   107.2  Favored  ?      4   6  0.22   8  0.25  molprobity     1  True   
 91   91  mt       -126.9   121.4  Favored  ?     11   8  0.21  11  0.46  molprobity     1  True   
 92   92  m-20       56.9    33.2  Favored  ?      6   8  0.35  11  0.30  molprobity     1  True   
 93   93  ?          95.3   -25.4  Favored  ?      3   4  0.24   5  0.14  molprobity     1  True   
 94   94  m-85      -73.4   107.2  Favored  ?      9  12  0.36  16  0.16  molprobity     1  True   
 95   95  m        -109.6   129.0  Favored  ?      4   6  0.23   8  0.33  molprobity     1  True   
 96   96  tppp?    -158.4   160.6  Favored  ?     13   9  0.36  11  0.31  molprobity     1  True   
 97   97  m        -109.9   131.8  Favored  ?      4   6  0.14   8  0.31  molprobity     1  True   
 98   98  m        -119.0   171.3  Favored  ?      9   7  0.34  10  0.43  molprobity     1  True   
 99   99  ptt180        ?       ?  ?        ?     13  11  0.55  11  0.42  molprobity     1  True   
100  100  ?             ?       ?  ?        ?      7   5  0.47   7  0.38  molprobity     ?  False  
101  101  m         -65.5   126.6  Favored  ?      7   7  0.30  10  0.38  molprobity     ?  False  
102  102  OUTLIER   -92.9   121.7  Favored  ?     13   9  0.43  12  0.57  molprobity     ?  False  
103  103  Cg_endo   -57.0   -54.3  Favored  ?      7   8  0.24  11  0.33  molprobity     1  True   
104  104  t        -103.5   146.4  Favored  ?      4   6  0.42   8  0.53  molprobity     1  True   
105  105  tm0?      -42.6   -55.5  Favored  ?      8   9  0.40  12  0.40  molprobity     1  True   
106  106  t        -109.1    72.1  Allowed  ?      5   6  0.46   8  0.57  molprobity     1  True   
107  107  t70       -40.9   -39.8  Allowed  ?      4   8  0.25  11  0.51  molprobity     1  True   
108  108  mmtp      -69.7   -33.6  Favored  ?     13   9  0.28  11  0.21  molprobity     1  True   
109  109  t70      -115.7     4.6  Favored  ?      4   8  0.27  11  0.45  molprobity     1  True   
110  110  t         -99.6   144.1  Favored  ?      4   6  0.21   8  0.39  molprobity     1  True   
111  111  mmmm     -118.2   126.8  Favored  ?     13   9  0.34  11  0.26  molprobity     1  True   
112  112  mtmm      -92.8   111.6  Favored  ?     13   9  0.32  11  0.25  molprobity     1  True   
113  113  p90       -77.4   173.9  Favored  ?      9  12  0.35  16  0.19  molprobity     1  True   
114  114  ?         -82.7   118.7  Favored  ?      5   5  0.27   7  0.28  molprobity     1  True   
115  115  t        -109.3   156.3  Favored  ?      4   6  0.19   8  0.39  molprobity     1  True   
116  116  tpp180    -79.5   130.9  Favored  ?     13  11  0.38  14  0.46  molprobity     1  True   
117  117  OUTLIER   -40.0   128.5  Allowed  Y     13   9  0.65  12  0.61  molprobity     1  True   
118  118  Cg_endo   -53.2   148.1  Favored  ?      7   8  0.59  11  0.49  molprobity     1  True   
119  119  OUTLIER  -103.0     3.2  Favored  ?     13   9  0.42  11  0.54  molprobity     1  True   
120  120  t        -115.7    99.5  Favored  ?      9   7  0.31  11  0.52  molprobity     1  True   
121  121  Cg_exo    -67.5    97.5  Allowed  ?      7   8  0.32  11  0.37  molprobity     1  True   
122  122  tttp     -106.5   100.8  Favored  ?     13   9  0.30  11  0.27  molprobity     1  True   
123  123  t        -102.8   114.5  Favored  ?      4   6  0.18   8  0.31  molprobity     1  True   
124  124  mm       -125.2   109.0  Favored  ?     11   8  0.28  11  0.54  molprobity     1  True   
125  125  t30        53.5    53.4  Favored  ?      6   8  0.37  11  0.35  molprobity     1  True   
126  126  ?          95.5   -25.7  Favored  ?      3   4  0.18   5  0.21  molprobity     1  True   
127  127  m-85      -89.3   141.9  Favored  ?      9  12  0.37  16  0.19  molprobity     1  True   
128  128  OUTLIER  -137.4   123.9  Favored  ?      4   6  0.21   8  0.30  molprobity     1  True   
129  129  tptm     -158.6   163.8  Favored  ?     13   9  0.31  11  0.32  molprobity     1  True   
130  130  m        -110.5   135.4  Favored  ?      4   6  0.17   8  0.38  molprobity     1  True   
131  131  m        -122.2   171.4  Favored  ?      9   7  0.35  10  0.37  molprobity     1  True   
132  132  ptt180        ?       ?  ?        ?     13  11  0.50  11  0.29  molprobity     1  True   
133  133  ?             ?       ?  ?        ?      7   5  0.54   7  0.39  molprobity     ?  False  
134  134  m         -80.2   136.9  Favored  ?      7   7  0.39  10  0.39  molprobity     ?  False  
135  135  mmmt      -82.7   150.6  Favored  ?     13   9  0.41  12  0.48  molprobity     ?  False  
136  136  Cg_endo   -51.0   111.3  Allowed  ?      7   8  0.33  11  0.33  molprobity     1  True   
137  137  t        -130.2   145.6  Favored  ?      4   6  0.34   8  0.67  molprobity     1  True   
138  138  pt20      -33.8   -39.9  Allowed  ?      8   9  0.43  12  0.34  molprobity     1  True   
139  139  m        -141.0    73.2  Allowed  ?      5   6  0.41   8  0.70  molprobity     1  True   
140  140  m-20      -34.2   -39.5  Allowed  ?      4   8  0.39  11  0.44  molprobity     1  True   
141  141  mmpt?     -54.6   -46.5  Favored  ?     13   9  0.40  11  0.32  molprobity     1  True   
142  142  t70      -113.0     5.5  Favored  ?      4   8  0.33  11  0.37  molprobity     1  True   
143  143  t         -99.2   143.6  Favored  ?      4   6  0.24   8  0.31  molprobity     1  True   
144  144  mptt      -98.7   156.1  Favored  ?     13   9  0.41  11  0.35  molprobity     1  True   
145  145  ttpt      -66.4   111.2  Favored  ?     13   9  0.32  11  0.24  molprobity     1  True   
146  146  m-85      -97.5   150.2  Favored  ?      9  12  0.35  16  0.16  molprobity     1  True   
147  147  ?        -116.2   134.5  Favored  ?      5   5  0.22   7  0.31  molprobity     1  True   
148  148  t        -133.0   159.4  Favored  ?      4   6  0.23   8  0.44  molprobity     1  True   
149  149  ttm180    -74.3   147.1  Favored  ?     13  11  0.37  14  0.35  molprobity     1  True   
150  150  mmtm      -41.0   128.7  Favored  Y     13   9  0.58  12  0.57  molprobity     1  True   
151  151  Cg_exo    -68.2   175.2  Favored  ?      7   8  0.46  11  0.47  molprobity     1  True   
152  152  pttt     -109.6     5.2  Favored  ?     13   9  0.35  11  0.51  molprobity     1  True   
153  153  t        -115.7    89.7  Favored  ?      9   7  0.39  11  0.48  molprobity     1  True   
154  154  Cg_exo    -69.7    84.1  Allowed  ?      7   8  0.37  11  0.40  molprobity     1  True   
155  155  ttpp      -95.0   102.0  Favored  ?     13   9  0.32  11  0.38  molprobity     1  True   
156  156  t        -101.7   126.4  Favored  ?      4   6  0.22   8  0.30  molprobity     1  True   
157  157  mt       -133.8   138.0  Favored  ?     11   8  0.25  11  0.50  molprobity     1  True   
158  158  m-20       56.4    33.2  Favored  ?      6   8  0.35  11  0.22  molprobity     1  True   
159  159  ?          84.5    -8.1  Favored  ?      3   4  0.27   5  0.15  molprobity     1  True   
160  160  t80      -100.3   118.0  Favored  ?      9  12  0.40  16  0.19  molprobity     1  True   
161  161  m         -97.7   128.8  Favored  ?      4   6  0.26   8  0.30  molprobity     1  True   
162  162  tttt     -137.7   152.2  Favored  ?     13   9  0.28  11  0.24  molprobity     1  True   
163  163  m        -110.4   123.8  Favored  ?      4   6  0.28   8  0.61  molprobity     1  True   
164  164  m        -123.5   171.8  Favored  ?      9   7  0.31  10  0.37  molprobity     1  True   
165  165  tmt_?         ?       ?  ?        ?     13  11  0.61  11  0.57  molprobity     1  True   
166  166  ?             ?       ?  ?        ?      7   5  0.44   7  0.32  molprobity     ?  False  
167  167  p         -81.0   119.1  Favored  ?      7   7  0.36  10  0.43  molprobity     ?  False  
168  168  mttt      -96.1   158.2  Favored  ?     13   9  0.45  12  0.51  molprobity     ?  False  
169  169  Cg_endo   -50.8   102.4  OUTLIER  ?      7   8  0.35  11  0.34  molprobity     1  True   
170  170  t        -129.7   128.9  Favored  ?      4   6  0.39   8  0.53  molprobity     1  True   
171  171  tm0?      -46.9   -39.3  Favored  ?      8   9  0.38  12  0.42  molprobity     1  True   
172  172  p        -119.9    72.2  Allowed  ?      5   6  0.43   8  0.51  molprobity     1  True   
173  173  p-10      -58.6   -16.8  Favored  ?      4   8  0.25  11  0.50  molprobity     1  True   
174  174  mttm      -55.1   -31.6  Favored  ?     13   9  0.34  11  0.40  molprobity     1  True   
175  175  t70      -160.9    91.5  Allowed  ?      4   8  0.32  11  0.50  molprobity     1  True   
176  176  t        -129.5   160.2  Favored  ?      4   6  0.22   8  0.26  molprobity     1  True   
177  177  OUTLIER  -140.5   159.2  Favored  ?     13   9  0.39  11  0.35  molprobity     1  True   
178  178  pttp      -88.0   150.0  Favored  ?     13   9  0.33  11  0.33  molprobity     1  True   
179  179  p90      -138.7   154.9  Favored  ?      9  12  0.37  16  0.39  molprobity     1  True   
180  180  ?         -82.5   137.3  Favored  ?      5   5  0.23   7  0.33  molprobity     1  True   
181  181  t        -141.9   171.7  Favored  ?      4   6  0.23   8  0.34  molprobity     1  True   
182  182  tpm_?     -96.4   148.7  Favored  ?     13  11  0.39  14  0.49  molprobity     1  True   
183  183  ttmm      -44.3   136.9  Favored  Y     13   9  0.54  12  0.62  molprobity     1  True   
184  184  Cg_exo    -68.5  -177.2  Favored  ?      7   8  0.48  11  0.51  molprobity     1  True   
185  185  ptmm?    -113.2     5.6  Favored  ?     13   9  0.38  11  0.48  molprobity     1  True   
186  186  t        -119.2    89.8  Favored  ?      9   7  0.36  11  0.53  molprobity     1  True   
187  187  Cg_endo   -71.0   122.5  Favored  ?      7   8  0.24  11  0.21  molprobity     1  True   
188  188  ttpm?    -111.4   111.0  Favored  ?     13   9  0.38  11  0.35  molprobity     1  True   
189  189  m        -102.9   107.3  Favored  ?      4   6  0.15   8  0.17  molprobity     1  True   
190  190  mt       -122.4   115.3  Favored  ?     11   8  0.20  11  0.45  molprobity     1  True   
191  191  t-20       56.4    39.6  Favored  ?      6   8  0.41  11  0.31  molprobity     1  True   
192  192  ?          91.0   -26.2  Favored  ?      3   4  0.19   5  0.25  molprobity     1  True   
193  193  t80       -73.5   104.2  Favored  ?      9  12  0.36  16  0.24  molprobity     1  True   
194  194  m        -117.6   123.8  Favored  ?      4   6  0.22   8  0.39  molprobity     1  True   
195  195  mtpt     -144.8   165.1  Favored  ?     13   9  0.33  11  0.40  molprobity     1  True   
196  196  m        -110.5   123.9  Favored  ?      4   6  0.26   8  0.74  molprobity     1  True   
197  197  m        -129.9   172.4  Favored  ?      9   7  0.25  10  0.38  molprobity     1  True   
198  198  OUTLIER       ?       ?  ?        ?     13  11  0.51  11  0.69  molprobity     1  True   
199  199  ?             ?       ?  ?        ?      7   5  0.53   7  0.45  molprobity     ?  False  
200  200  m         -92.0   141.1  Favored  ?      7   7  0.37  10  0.31  molprobity     ?  False  
201  201  OUTLIER  -112.4   129.3  Favored  ?     13   9  0.41  12  0.55  molprobity     ?  False  
202  202  Cg_exo    -61.2    81.4  OUTLIER  ?      7   8  0.28  11  0.38  molprobity     1  True   
203  203  t        -113.7   135.6  Favored  ?      4   6  0.34   8  0.63  molprobity     1  True   
204  204  tp-100    -30.2   -53.5  Allowed  ?      8   9  0.37  12  0.35  molprobity     1  True   
205  205  t        -127.9    77.1  Allowed  ?      5   6  0.42   8  0.50  molprobity     1  True   
206  206  t70       -44.9   -28.5  Allowed  ?      4   8  0.31  11  0.48  molprobity     1  True   
207  207  ttpt      -49.3   -42.1  Favored  ?     13   9  0.32  11  0.35  molprobity     1  True   
208  208  t70      -125.9    86.9  Favored  ?      4   8  0.29  11  0.47  molprobity     1  True   
209  209  t        -166.7   145.3  Favored  ?      4   6  0.23   8  0.24  molprobity     1  True   
210  210  mtmt     -117.4   151.5  Favored  ?     13   9  0.38  11  0.32  molprobity     1  True   
211  211  ttpm?     -83.3   105.7  Favored  ?     13   9  0.40  11  0.37  molprobity     1  True   
212  212  t80       -86.7   136.6  Favored  ?      9  12  0.34  16  0.19  molprobity     1  True   
213  213  ?         -82.8   109.0  Favored  ?      5   5  0.22   7  0.32  molprobity     1  True   
214  214  p        -116.0   170.7  Favored  ?      4   6  0.17   8  0.27  molprobity     1  True   
215  215  OUTLIER   -62.2   148.9  Favored  ?     13  11  0.29  14  0.31  molprobity     1  True   
216  216  mptm?     -59.9   154.1  Favored  Y     13   9  0.48  12  0.58  molprobity     1  True   
217  217  Cg_exo    -66.4   177.2  Favored  ?      7   8  0.44  11  0.34  molprobity     1  True   
218  218  mtmt     -100.5     3.7  Favored  ?     13   9  0.40  11  0.63  molprobity     1  True   
219  219  t        -115.5   102.5  Favored  ?      9   7  0.32  11  0.56  molprobity     1  True   
220  220  Cg_endo   -69.1   111.5  Favored  ?      7   8  0.27  11  0.30  molprobity     1  True   
221  221  ttmt     -108.9   104.1  Favored  ?     13   9  0.33  11  0.33  molprobity     1  True   
222  222  m        -110.2   110.6  Favored  ?      4   6  0.30   8  0.44  molprobity     1  True   
223  223  mm       -128.7   126.3  Favored  ?     11   8  0.28  11  0.47  molprobity     1  True   
224  224  m-20       55.9    33.2  Favored  ?      6   8  0.36  11  0.23  molprobity     1  True   
225  225  ?          85.7   -21.2  Favored  ?      3   4  0.22   5  0.17  molprobity     1  True   
226  226  m-85      -87.7   108.7  Favored  ?      9  12  0.39  16  0.25  molprobity     1  True   
227  227  t        -125.9   134.2  Favored  ?      4   6  0.40   8  0.55  molprobity     1  True   
228  228  mtpp     -129.8   171.9  Favored  ?     13   9  0.36  11  0.33  molprobity     1  True   
229  229  m        -110.1   123.5  Favored  ?      4   6  0.21   8  0.45  molprobity     1  True   
230  230  m        -119.8   171.4  Favored  ?      9   7  0.31  10  0.51  molprobity     1  True   
231  231  mtt180        ?       ?  ?        ?     13  11  0.51  11  0.49  molprobity     1  True   
232  232  ?             ?       ?  ?        ?      7   5  0.51   7  0.27  molprobity     ?  False  
233  233  m         -84.3   143.1  Favored  ?      7   7  0.43  10  0.46  molprobity     ?  False  
234  234  mmtt      -97.3   118.6  Favored  ?     13   9  0.41  12  0.56  molprobity     ?  False  
235  235  Cg_exo    -49.1    87.0  OUTLIER  ?      7   8  0.31  11  0.32  molprobity     1  True   
236  236  t        -118.9   148.0  Favored  ?      4   6  0.38   8  0.65  molprobity     1  True   
237  237  tm0?      -37.9   -50.8  Allowed  ?      8   9  0.43  12  0.45  molprobity     1  True   
238  238  t        -120.4    73.7  Allowed  ?      5   6  0.38   8  0.30  molprobity     1  True   
239  239  m-20      -40.8   -37.6  Allowed  ?      4   8  0.36  11  0.70  molprobity     1  True   
240  240  tttm      -54.0   -32.7  Favored  ?     13   9  0.29  11  0.47  molprobity     1  True   
241  241  t0       -134.4    13.3  Favored  ?      4   8  0.30  11  0.41  molprobity     1  True   
242  242  t         -99.7   147.3  Favored  ?      4   6  0.18   8  0.32  molprobity     1  True   
243  243  mtmm     -126.2   156.4  Favored  ?     13   9  0.33  11  0.40  molprobity     1  True   
244  244  pttp      -79.3   102.5  Favored  ?     13   9  0.34  11  0.35  molprobity     1  True   
245  245  m-85      -85.4   158.3  Favored  ?      9  12  0.33  16  0.22  molprobity     1  True   
246  246  ?         -84.5   118.3  Favored  ?      5   5  0.26   7  0.31  molprobity     1  True   
247  247  t        -148.6   157.9  Favored  ?      4   6  0.20   8  0.27  molprobity     1  True   
248  248  mpt_?     -60.6   146.3  Favored  ?     13  11  0.31  14  0.54  molprobity     1  True   
249  249  mttt      -56.7   146.5  Favored  Y     13   9  0.43  12  0.62  molprobity     1  True   
250  250  Cg_exo    -66.4  -174.4  Favored  ?      7   8  0.45  11  0.43  molprobity     1  True   
251  251  OUTLIER  -112.4     8.8  Favored  ?     13   9  0.43  11  0.58  molprobity     1  True   
252  252  t        -115.2    88.3  Favored  ?      9   7  0.39  11  0.46  molprobity     1  True   
253  253  Cg_endo   -88.1   130.9  Favored  ?      7   8  0.27  11  0.21  molprobity     1  True   
254  254  OUTLIER  -128.5   145.9  Favored  ?     13   9  0.30  11  0.40  molprobity     1  True   
255  255  m        -121.5   119.4  Favored  ?      4   6  0.20   8  0.26  molprobity     1  True   
256  256  mt       -131.9   115.1  Favored  ?     11   8  0.24  11  0.48  molprobity     1  True   
257  257  m-20       56.0    36.5  Favored  ?      6   8  0.33  11  0.31  molprobity     1  True   
258  258  ?          96.0   -25.7  Favored  ?      3   4  0.27   5  0.14  molprobity     1  True   
259  259  m-85      -74.2   105.3  Favored  ?      9  12  0.39  16  0.23  molprobity     1  True   
260  260  m        -116.8   128.8  Favored  ?      4   6  0.26   8  0.25  molprobity     1  True   
261  261  ptpp?    -149.9   165.8  Favored  ?     13   9  0.31  11  0.22  molprobity     1  True   
262  262  m        -116.0   123.0  Favored  ?      4   6  0.23   8  0.51  molprobity     1  True   
263  263  m        -153.9   172.8  Allowed  ?      9   7  0.33  10  0.58  molprobity     1  True   
264  264  ttp85         ?       ?  ?        ?     13  11  0.63  11  0.60  molprobity     1  True   
265  265  ?             ?       ?  ?        ?      7   5  0.46   7  0.25  molprobity     ?  False  
266  266  p         -91.5   146.6  Favored  ?      7   7  0.37  10  0.50  molprobity     ?  False  
267  267  mmmt      -98.0   120.5  Favored  ?     13   9  0.34  12  0.41  molprobity     ?  False  
268  268  Cg_exo    -74.4   -46.6  Allowed  ?      7   8  0.31  11  0.43  molprobity     1  True   
269  269  t        -136.5   135.1  Favored  ?      4   6  0.30   8  0.71  molprobity     1  True   
270  270  tp60      -30.4   -55.3  Allowed  ?      8   9  0.40  12  0.40  molprobity     1  True   
271  271  t        -123.3    73.0  Allowed  ?      5   6  0.42   8  0.49  molprobity     1  True   
272  272  p-10      -52.2   -20.7  Favored  ?      4   8  0.22  11  0.37  molprobity     1  True   
273  273  OUTLIER   -59.4   -43.5  Favored  ?     13   9  0.34  11  0.39  molprobity     1  True   
274  274  m-20     -102.2   -13.3  Favored  ?      4   8  0.27  11  0.45  molprobity     1  True   
275  275  t         -99.6   143.2  Favored  ?      4   6  0.24   8  0.55  molprobity     1  True   
276  276  mmmt      -95.5   134.2  Favored  ?     13   9  0.32  11  0.32  molprobity     1  True   
277  277  OUTLIER   -57.5    99.9  OUTLIER  ?     13   9  0.36  11  0.61  molprobity     1  True   
278  278  t80       -70.5   108.2  Favored  ?      9  12  0.35  16  0.26  molprobity     1  True   
279  279  ?         -82.6   110.9  Favored  ?      5   5  0.27   7  0.28  molprobity     1  True   
280  280  p        -109.6   163.9  Favored  ?      4   6  0.25   8  0.32  molprobity     1  True   
281  281  ttm180    -79.5   144.1  Favored  ?     13  11  0.27  14  0.59  molprobity     1  True   
282  282  ttpt      -36.5   127.2  Allowed  Y     13   9  0.57  12  0.51  molprobity     1  True   
283  283  Cg_endo   -56.9   149.0  Favored  ?      7   8  0.62  11  0.53  molprobity     1  True   
284  284  mtmt     -112.2     8.1  Favored  ?     13   9  0.37  11  0.45  molprobity     1  True   
285  285  t        -115.7    98.3  Favored  ?      9   7  0.32  11  0.54  molprobity     1  True   
286  286  Cg_endo   -67.2   143.0  Favored  ?      7   8  0.29  11  0.29  molprobity     1  True   
287  287  mmtm     -142.1   104.4  Favored  ?     13   9  0.31  11  0.29  molprobity     1  True   
288  288  m        -112.6   107.1  Favored  ?      4   6  0.23   8  0.24  molprobity     1  True   
289  289  mt       -134.3   121.0  Favored  ?     11   8  0.20  11  0.46  molprobity     1  True   
290  290  m-20       57.3    33.0  Favored  ?      6   8  0.35  11  0.26  molprobity     1  True   
291  291  ?          95.9   -12.1  Favored  ?      3   4  0.24   5  0.09  molprobity     1  True   
292  292  t80       -92.1   111.9  Favored  ?      9  12  0.37  16  0.18  molprobity     1  True   
293  293  m        -113.6   126.0  Favored  ?      4   6  0.23   8  0.23  molprobity     1  True   
294  294  tptm     -158.5   167.2  Favored  ?     13   9  0.34  11  0.22  molprobity     1  True   
295  295  m        -110.3   136.3  Favored  ?      4   6  0.18   8  0.45  molprobity     1  True   
296  296  m        -137.4   172.5  Favored  ?      9   7  0.25  10  0.39  molprobity     1  True   
297  297  OUTLIER       ?       ?  ?        ?     13  11  0.56  11  0.72  molprobity     1  True   
298  298  ?             ?       ?  ?        ?      7   5  0.52   7  0.26  molprobity     ?  False  
299  299  t        -151.2   152.9  Favored  ?      7   7  0.50  10  0.53  molprobity     ?  False  
300  300  mptp?    -113.9   144.1  Favored  ?     13   9  0.34  12  0.57  molprobity     ?  False  
301  301  Cg_endo   -43.5    95.5  OUTLIER  ?      7   8  0.39  11  0.47  molprobity     1  True   
302  302  p        -111.1   146.1  Favored  ?      4   6  0.45   8  0.49  molprobity     1  True   
303  303  pt20      -43.4   -26.1  Allowed  ?      8   9  0.35  12  0.31  molprobity     1  True   
304  304  t        -136.7    72.9  Allowed  ?      5   6  0.43   8  0.35  molprobity     1  True   
305  305  m-20      -50.4   -26.4  Favored  ?      4   8  0.34  11  0.45  molprobity     1  True   
306  306  ttmt      -50.9   -40.9  Favored  ?     13   9  0.29  11  0.47  molprobity     1  True   
307  307  t70      -173.8    97.3  Allowed  ?      4   8  0.25  11  0.55  molprobity     1  True   
308  308  p        -117.2   143.2  Favored  ?      4   6  0.20   8  0.38  molprobity     1  True   
309  309  OUTLIER   -73.8   137.6  Favored  ?     13   9  0.40  11  0.37  molprobity     1  True   
310  310  OUTLIER   -74.7   101.5  Favored  ?     13   9  0.40  11  0.41  molprobity     1  True   
311  311  t80      -111.0   151.2  Favored  ?      9  12  0.35  16  0.21  molprobity     1  True   
312  312  ?        -119.7   116.0  Favored  ?      5   5  0.23   7  0.25  molprobity     1  True   
313  313  p        -111.5   172.1  Favored  ?      4   6  0.17   8  0.32  molprobity     1  True   
314  314  tpp180    -60.7   133.2  Favored  ?     13  11  0.28  14  0.45  molprobity     1  True   
315  315  OUTLIER   -44.0   132.2  Favored  Y     13   9  0.67  12  0.60  molprobity     1  True   
316  316  Cg_exo    -56.5   149.3  Favored  ?      7   8  0.50  11  0.36  molprobity     1  True   
317  317  OUTLIER  -100.6     8.2  Favored  ?     13   9  0.41  11  0.49  molprobity     1  True   
318  318  t        -115.4    98.2  Favored  ?      9   7  0.40  11  0.52  molprobity     1  True   
319  319  Cg_endo   -72.2   101.5  Allowed  ?      7   8  0.24  11  0.28  molprobity     1  True   
320  320  tttt      -93.5   115.9  Favored  ?     13   9  0.27  11  0.26  molprobity     1  True   
321  321  m        -112.6   113.5  Favored  ?      4   6  0.20   8  0.24  molprobity     1  True   
322  322  mm       -127.5   121.8  Favored  ?     11   8  0.19  11  0.49  molprobity     1  True   
323  323  t30        57.0    33.2  Favored  ?      6   8  0.38  11  0.32  molprobity     1  True   
324  324  ?          93.6   -21.5  Favored  ?      3   4  0.22   5  0.27  molprobity     1  True   
325  325  m-85      -80.9   113.6  Favored  ?      9  12  0.36  16  0.16  molprobity     1  True   
326  326  m        -112.5   139.4  Favored  ?      4   6  0.26   8  0.39  molprobity     1  True   
327  327  ptmt     -158.4   172.2  Favored  ?     13   9  0.34  11  0.34  molprobity     1  True   
328  328  m        -109.7   126.8  Favored  ?      4   6  0.23   8  0.46  molprobity     1  True   
329  329  m        -133.9   171.8  Favored  ?      9   7  0.36  10  0.53  molprobity     1  True   
330  330  OUTLIER       ?       ?  ?        ?     13  11  0.60  11  0.68  molprobity     1  True   
331  331  ?             ?       ?  ?        ?      7   5  0.51   7  0.26  molprobity     ?  False  
332  332  p         -79.7   159.7  Favored  ?      7   7  0.37  10  0.42  molprobity     ?  False  
333  333  OUTLIER   -67.8   126.4  Favored  ?     13   9  0.40  12  0.59  molprobity     ?  False  
334  334  Cg_endo   -55.2   126.9  Favored  ?      7   8  0.31  11  0.30  molprobity     1  True   
335  335  t        -143.9   129.4  Favored  ?      4   6  0.32   8  0.63  molprobity     1  True   
336  336  pt20      -40.3   -36.8  Allowed  ?      8   9  0.34  12  0.36  molprobity     1  True   
337  337  m        -139.8    73.4  Allowed  ?      5   6  0.24   8  0.72  molprobity     1  True   
338  338  p-10      -34.7   -37.6  Allowed  ?      4   8  0.43  11  0.53  molprobity     1  True   
339  339  mtmm      -71.3    -1.5  Favored  ?     13   9  0.35  11  0.41  molprobity     1  True   
340  340  p30      -125.4     4.8  Favored  ?      4   8  0.37  11  0.59  molprobity     1  True   
341  341  m         -99.7   153.2  Favored  ?      4   6  0.29   8  0.43  molprobity     1  True   
342  342  tttm      -92.5   153.7  Favored  ?     13   9  0.30  11  0.28  molprobity     1  True   
343  343  mtmt      -64.7    94.7  Allowed  ?     13   9  0.31  11  0.30  molprobity     1  True   
344  344  t80      -105.8   113.8  Favored  ?      9  12  0.35  16  0.21  molprobity     1  True   
345  345  ?        -124.8   117.5  Favored  ?      5   5  0.27   7  0.29  molprobity     1  True   
346  346  p        -113.4   152.3  Favored  ?      4   6  0.19   8  0.36  molprobity     1  True   
347  347  OUTLIER   -60.5   149.4  Favored  ?     13  11  0.39  14  0.48  molprobity     1  True   
348  348  mtmp?     -36.6   125.9  Allowed  Y     13   9  0.64  12  0.60  molprobity     1  True   
349  349  Cg_exo    -56.7   135.8  Favored  ?      7   8  0.47  11  0.50  molprobity     1  True   
350  350  tmtt?     -96.1    -4.4  Favored  ?     13   9  0.42  11  0.69  molprobity     1  True   
351  351  t        -123.7    86.0  Favored  ?      9   7  0.32  11  0.51  molprobity     1  True   
352  352  Cg_endo   -79.0   150.1  Favored  ?      7   8  0.30  11  0.19  molprobity     1  True   
353  353  ptpp?    -142.8   145.7  Favored  ?     13   9  0.33  11  0.40  molprobity     1  True   
354  354  m        -120.3   107.3  Favored  ?      4   6  0.19   8  0.26  molprobity     1  True   
355  355  mt       -124.9   132.4  Favored  ?     11   8  0.23  11  0.41  molprobity     1  True   
356  356  m-20       57.4    33.0  Favored  ?      6   8  0.32  11  0.23  molprobity     1  True   
357  357  ?          72.8    16.4  Favored  ?      3   4  0.27   5  0.36  molprobity     1  True   
358  358  t80      -115.4   122.1  Favored  ?      9  12  0.35  16  0.26  molprobity     1  True   
359  359  m        -119.8   138.1  Favored  ?      4   6  0.26   8  0.38  molprobity     1  True   
360  360  ptpt     -156.0   172.0  Favored  ?     13   9  0.31  11  0.41  molprobity     1  True   
361  361  m        -109.7   125.1  Favored  ?      4   6  0.18   8  0.42  molprobity     1  True   
362  362  m        -137.8   171.9  Favored  ?      9   7  0.30  10  0.38  molprobity     1  True   
363  363  ttt180        ?       ?  ?        ?     13  11  0.55  11  0.40  molprobity     1  True   
364  364  ?             ?       ?  ?        ?      7   5  0.48   7  0.30  molprobity     ?  False  
365  365  t        -156.3   167.0  Favored  ?      7   7  0.44  10  0.51  molprobity     ?  False  
366  366  mmpt?     -86.0   131.7  Favored  ?     13   9  0.39  12  0.53  molprobity     ?  False  
367  367  Cg_endo   -74.0   -13.3  Favored  ?      7   8  0.25  11  0.24  molprobity     1  True   
368  368  m        -142.8   135.5  Favored  ?      4   6  0.37   8  0.36  molprobity     1  True   
369  369  tm0?      -48.0   -43.7  Favored  ?      8   9  0.31  12  0.44  molprobity     1  True   
370  370  m        -113.1    72.5  Allowed  ?      5   6  0.35   8  0.62  molprobity     1  True   
371  371  t70       -50.1   -39.3  Favored  ?      4   8  0.20  11  0.37  molprobity     1  True   
372  372  mmmm      -59.3   -25.5  Favored  ?     13   9  0.33  11  0.30  molprobity     1  True   
373  373  t70      -118.5    34.4  Favored  ?      4   8  0.25  11  0.56  molprobity     1  True   
374  374  t        -136.2   155.9  Favored  ?      4   6  0.24   8  0.31  molprobity     1  True   
375  375  mmtm     -142.3   170.2  Favored  ?     13   9  0.27  11  0.29  molprobity     1  True   
376  376  mtmm      -62.2   132.3  Favored  ?     13   9  0.33  11  0.37  molprobity     1  True   
377  377  t80      -112.7   135.2  Favored  ?      9  12  0.34  16  0.24  molprobity     1  True   
378  378  ?         -82.6   109.0  Favored  ?      5   5  0.29   7  0.39  molprobity     1  True   
379  379  t        -142.1   172.3  Favored  ?      4   6  0.32   8  0.32  molprobity     1  True   
380  380  mmt180    -86.6   135.4  Favored  ?     13  11  0.28  14  0.35  molprobity     1  True   
381  381  mtmm      -54.5   143.8  Favored  Y     13   9  0.54  12  0.55  molprobity     1  True   
382  382  Cg_endo   -60.4   150.6  Favored  ?      7   8  0.43  11  0.42  molprobity     1  True   
383  383  ttpt     -108.2     8.5  Favored  ?     13   9  0.38  11  0.65  molprobity     1  True   
384  384  t        -115.3    85.0  Favored  ?      9   7  0.34  11  0.44  molprobity     1  True   
385  385  Cg_exo    -74.5   139.7  Favored  ?      7   8  0.36  11  0.41  molprobity     1  True   
386  386  OUTLIER  -114.1   100.6  Favored  ?     13   9  0.44  11  0.54  molprobity     1  True   
387  387  t        -101.8   109.4  Favored  ?      4   6  0.15   8  0.30  molprobity     1  True   
388  388  mt       -136.5   131.2  Favored  ?     11   8  0.30  11  0.50  molprobity     1  True   
389  389  t-20       60.1    33.3  Favored  ?      6   8  0.38  11  0.34  molprobity     1  True   
390  390  ?          92.5   -21.0  Favored  ?      3   4  0.16   5  0.19  molprobity     1  True   
391  391  m-85      -78.5   110.8  Favored  ?      9  12  0.36  16  0.24  molprobity     1  True   
392  392  OUTLIER  -114.7   124.1  Favored  ?      4   6  0.24   8  0.32  molprobity     1  True   
393  393  ttmt     -147.8   150.1  Favored  ?     13   9  0.27  11  0.27  molprobity     1  True   
394  394  m        -110.1   123.4  Favored  ?      4   6  0.20   8  0.51  molprobity     1  True   
395  395  m        -156.9   172.5  Allowed  ?      9   7  0.33  10  0.46  molprobity     1  True   
396  396  ttp180        ?       ?  ?        ?     13  11  0.56  11  0.48  molprobity     1  True   
397  397  ?             ?       ?  ?        ?      7   5  0.54   7  0.26  molprobity     ?  False  
398  398  t        -144.1   166.8  Favored  ?      7   7  0.49  10  0.49  molprobity     ?  False  
399  399  OUTLIER   -94.5   129.4  Favored  ?     13   9  0.48  12  0.51  molprobity     ?  False  
400  400  Cg_exo    -55.6   107.1  Allowed  ?      7   8  0.29  11  0.35  molprobity     1  True   
401  401  p        -123.7   167.8  Favored  ?      4   6  0.58   8  0.44  molprobity     1  True   
402  402  pp0?      -45.4   -28.4  Allowed  ?      8   9  0.47  12  0.54  molprobity     1  True   
403  403  m        -137.6    73.9  Allowed  ?      5   6  0.38   8  0.68  molprobity     1  True   
404  404  p-10      -34.1   -46.1  Allowed  ?      4   8  0.41  11  0.46  molprobity     1  True   
405  405  tmmm?     -69.3   -37.3  Favored  ?     13   9  0.46  11  0.49  molprobity     1  True   
406  406  t70       -74.7   -13.6  Favored  ?      4   8  0.24  11  0.35  molprobity     1  True   
407  407  m         -99.4   142.9  Favored  ?      4   6  0.18   8  0.31  molprobity     1  True   
408  408  mttt     -142.8   170.5  Favored  ?     13   9  0.35  11  0.41  molprobity     1  True   
409  409  mttt      -47.4   115.8  Allowed  ?     13   9  0.27  11  0.42  molprobity     1  True   
410  410  t80      -138.7   125.7  Favored  ?      9  12  0.36  16  0.22  molprobity     1  True   
411  411  ?         -82.9   108.7  Favored  ?      5   5  0.28   7  0.46  molprobity     1  True   
412  412  t        -112.4   158.1  Favored  ?      4   6  0.21   8  0.43  molprobity     1  True   
413  413  mpt_?     -62.1   134.1  Favored  ?     13  11  0.40  14  0.57  molprobity     1  True   
414  414  mmtm      -55.4   155.5  Favored  Y     13   9  0.44  12  0.62  molprobity     1  True   
415  415  Cg_exo    -67.1   179.8  Favored  ?      7   8  0.47  11  0.53  molprobity     1  True   
416  416  pttt      -94.7     6.8  Favored  ?     13   9  0.39  11  0.64  molprobity     1  True   
417  417  t        -118.1    84.7  Favored  ?      9   7  0.42  11  0.48  molprobity     1  True   
418  418  Cg_endo   -75.9   120.4  Favored  ?      7   8  0.24  11  0.21  molprobity     1  True   
419  419  mtpt     -135.2   137.6  Favored  ?     13   9  0.23  11  0.30  molprobity     1  True   
420  420  m        -114.4   107.3  Favored  ?      4   6  0.16   8  0.26  molprobity     1  True   
421  421  mt       -126.3   134.2  Favored  ?     11   8  0.19  11  0.41  molprobity     1  True   
422  422  t-20       55.9    33.0  Favored  ?      6   8  0.37  11  0.34  molprobity     1  True   
423  423  ?          90.4   -25.5  Favored  ?      3   4  0.23   5  0.14  molprobity     1  True   
424  424  t80       -84.8   126.2  Favored  ?      9  12  0.33  16  0.23  molprobity     1  True   
425  425  m        -109.3   131.5  Favored  ?      4   6  0.25   8  0.35  molprobity     1  True   
426  426  tptt     -156.1   155.7  Favored  ?     13   9  0.31  11  0.28  molprobity     1  True   
427  427  m        -110.7   123.3  Favored  ?      4   6  0.15   8  0.56  molprobity     1  True   
428  428  m        -131.2   171.9  Favored  ?      9   7  0.27  10  0.43  molprobity     1  True   
429  429  ptm180        ?       ?  ?        ?     13  11  0.49  11  0.55  molprobity     1  True   
430  430  ?             ?       ?  ?        ?      7   5  0.52   7  0.26  molprobity     ?  False  
431  431  m         -98.9   140.5  Favored  ?      7   7  0.31  10  0.38  molprobity     ?  False  
432  432  mtmt      -92.6   128.7  Favored  ?     13   9  0.31  12  0.60  molprobity     ?  False  
433  433  Cg_endo   -59.7   147.9  Favored  ?      7   8  0.28  11  0.39  molprobity     1  True   
434  434  t        -149.7   158.9  Favored  ?      4   6  0.44   8  0.52  molprobity     1  True   
435  435  tt0       -29.6   -61.9  Allowed  ?      8   9  0.51  12  0.49  molprobity     1  True   
436  436  t        -116.3    76.7  Allowed  ?      5   6  0.43   8  0.58  molprobity     1  True   
437  437  m-20      -34.2   -39.9  Allowed  ?      4   8  0.36  11  0.58  molprobity     1  True   
438  438  tmtt?     -68.9   -46.5  Favored  ?     13   9  0.43  11  0.48  molprobity     1  True   
439  439  m-20      -96.7    -1.5  Favored  ?      4   8  0.37  11  0.40  molprobity     1  True   
440  440  t         -99.5   172.7  Favored  ?      4   6  0.30   8  0.24  molprobity     1  True   
441  441  tttp     -118.4   142.6  Favored  ?     13   9  0.30  11  0.28  molprobity     1  True   
442  442  ptmt      -66.8    78.7  Allowed  ?     13   9  0.31  11  0.44  molprobity     1  True   
443  443  t80       -71.6   150.1  Favored  ?      9  12  0.34  16  0.26  molprobity     1  True   
444  444  ?        -127.8   111.8  Favored  ?      5   5  0.22   7  0.24  molprobity     1  True   
445  445  p        -125.5   146.0  Favored  ?      4   6  0.20   8  0.33  molprobity     1  True   
446  446  ttm180    -65.8   149.0  Favored  ?     13  11  0.32  14  0.59  molprobity     1  True   
447  447  mtmt      -36.1   124.8  Allowed  Y     13   9  0.49  12  0.60  molprobity     1  True   
448  448  Cg_exo    -64.2   138.2  Favored  ?      7   8  0.38  11  0.32  molprobity     1  True   
449  449  OUTLIER  -106.7     8.3  Favored  ?     13   9  0.42  11  0.48  molprobity     1  True   
450  450  t        -114.9    97.7  Favored  ?      9   7  0.35  11  0.63  molprobity     1  True   
451  451  Cg_endo   -77.5    70.0  Favored  ?      7   8  0.21  11  0.25  molprobity     1  True   
452  452  mmmt      -69.2   103.7  Favored  ?     13   9  0.37  11  0.30  molprobity     1  True   
453  453  t        -101.7   124.0  Favored  ?      4   6  0.26   8  0.36  molprobity     1  True   
454  454  mp       -135.4   143.9  Favored  ?     11   8  0.38  11  0.59  molprobity     1  True   
455  455  t-20       55.6    32.8  Favored  ?      6   8  0.44  11  0.40  molprobity     1  True   
456  456  ?          84.6   -18.9  Favored  ?      3   4  0.19   5  0.13  molprobity     1  True   
457  457  m-85      -90.1   115.2  Favored  ?      9  12  0.36  16  0.18  molprobity     1  True   
458  458  m         -97.2   123.7  Favored  ?      4   6  0.36   8  0.44  molprobity     1  True   
459  459  mtmm     -130.2   159.4  Favored  ?     13   9  0.34  11  0.23  molprobity     1  True   
460  460  m        -110.4   126.0  Favored  ?      4   6  0.20   8  0.42  molprobity     1  True   
461  461  m        -132.4   171.6  Favored  ?      9   7  0.31  10  0.57  molprobity     1  True   
462  462  ttp180        ?       ?  ?        ?     13  11  0.53  11  0.52  molprobity     1  True   
463  463  ?             ?       ?  ?        ?      7   5  0.52   7  0.34  molprobity     ?  False  
464  464  p         -60.2   147.2  Favored  ?      7   7  0.35  10  0.44  molprobity     ?  False  
465  465  mtmt      -66.7   137.2  Favored  ?     13   9  0.28  12  0.46  molprobity     ?  False  
466  466  Cg_endo   -61.6   -26.2  Favored  ?      7   8  0.29  11  0.28  molprobity     1  True   
467  467  p        -154.9   155.2  Favored  ?      4   6  0.43   8  0.45  molprobity     1  True   
468  468  pm0       -49.1   -30.7  Favored  ?      8   9  0.33  12  0.50  molprobity     1  True   
469  469  p        -120.6    72.3  Allowed  ?      5   6  0.44   8  0.59  molprobity     1  True   
470  470  p-10      -46.0   -30.3  Allowed  ?      4   8  0.21  11  0.44  molprobity     1  True   
471  471  OUTLIER   -53.5   -34.6  Favored  ?     13   9  0.38  11  0.37  molprobity     1  True   
472  472  t70      -173.9   125.9  Allowed  ?      4   8  0.26  11  0.45  molprobity     1  True   
473  473  p        -150.2   143.2  Favored  ?      4   6  0.27   8  0.30  molprobity     1  True   
474  474  mttm      -90.7   110.3  Favored  ?     13   9  0.31  11  0.40  molprobity     1  True   
475  475  mmtm      -76.9    96.1  Favored  ?     13   9  0.33  11  0.32  molprobity     1  True   
476  476  m-85      -65.6   153.8  Favored  ?      9  12  0.36  16  0.18  molprobity     1  True   
477  477  ?         -82.7   108.7  Favored  ?      5   5  0.34   7  0.30  molprobity     1  True   
478  478  p        -124.9   150.7  Favored  ?      4   6  0.20   8  0.31  molprobity     1  True   
479  479  mtt180    -61.3   149.2  Favored  ?     13  11  0.32  14  0.38  molprobity     1  True   
480  480  mtmm      -42.8   135.7  Favored  Y     13   9  0.53  12  0.56  molprobity     1  True   
481  481  Cg_exo    -67.8   162.0  Favored  ?      7   8  0.45  11  0.36  molprobity     1  True   
482  482  mtpm?    -106.4     4.1  Favored  ?     13   9  0.48  11  0.59  molprobity     1  True   
483  483  t        -115.7    92.9  Favored  ?      9   7  0.38  11  0.52  molprobity     1  True   
484  484  Cg_endo   -76.7    93.0  Allowed  ?      7   8  0.27  11  0.25  molprobity     1  True   
485  485  ptpt     -103.2   145.5  Favored  ?     13   9  0.34  11  0.32  molprobity     1  True   
486  486  t        -137.4   138.7  Favored  ?      4   6  0.32   8  0.36  molprobity     1  True   
487  487  mt       -129.6   122.2  Favored  ?     11   8  0.24  11  0.45  molprobity     1  True   
488  488  m-20       57.1    33.1  Favored  ?      6   8  0.30  11  0.27  molprobity     1  True   
489  489  ?          91.6   -17.9  Favored  ?      3   4  0.22   5  0.15  molprobity     1  True   
490  490  t80       -81.3   104.2  Favored  ?      9  12  0.32  16  0.25  molprobity     1  True   
491  491  m        -104.5   142.2  Favored  ?      4   6  0.25   8  0.46  molprobity     1  True   
492  492  mmmp?    -143.9   160.1  Favored  ?     13   9  0.40  11  0.39  molprobity     1  True   
493  493  m        -110.2   123.6  Favored  ?      4   6  0.21   8  0.49  molprobity     1  True   
494  494  m        -136.6   171.8  Favored  ?      9   7  0.30  10  0.44  molprobity     1  True   
495  495  ttm180        ?       ?  ?        ?     13  11  0.47  11  0.39  molprobity     1  True   
496  496  ?             ?       ?  ?        ?      7   5  0.50   7  0.24  molprobity     ?  False  
497  497  p         -66.5   125.2  Favored  ?      7   7  0.40  10  0.54  molprobity     ?  False  
498  498  tptt      -74.0   134.1  Favored  ?     13   9  0.38  12  0.55  molprobity     ?  False  
499  499  Cg_endo   -69.5    19.1  Allowed  ?      7   8  0.41  11  0.39  molprobity     1  True   
500  500  t        -155.4   138.0  Favored  ?      4   6  0.32   8  0.56  molprobity     1  True   
501  501  tp60      -35.7   -44.8  Allowed  ?      8   9  0.47  12  0.48  molprobity     1  True   
502  502  m        -137.0    73.1  Allowed  ?      5   6  0.35   8  0.62  molprobity     1  True   
503  503  t70       -51.1   -28.4  Favored  ?      4   8  0.26  11  0.39  molprobity     1  True   
504  504  pttp      -62.4   -31.1  Favored  ?     13   9  0.27  11  0.26  molprobity     1  True   
505  505  m-20     -101.5     1.0  Favored  ?      4   8  0.31  11  0.49  molprobity     1  True   
506  506  t        -100.1   143.3  Favored  ?      4   6  0.24   8  0.56  molprobity     1  True   
507  507  mttt     -102.6   118.7  Favored  ?     13   9  0.27  11  0.25  molprobity     1  True   
508  508  OUTLIER   -77.8   100.0  Favored  ?     13   9  0.41  11  0.37  molprobity     1  True   
509  509  m-85      -81.1   177.2  Favored  ?      9  12  0.36  16  0.22  molprobity     1  True   
510  510  ?         -88.5   157.1  Favored  ?      5   5  0.27   7  0.25  molprobity     1  True   
511  511  t        -151.8   156.2  Favored  ?      4   6  0.19   8  0.35  molprobity     1  True   
512  512  mtp180    -72.6   132.1  Favored  ?     13  11  0.26  14  0.51  molprobity     1  True   
513  513  tttt      -36.6   124.7  Allowed  Y     13   9  0.49  12  0.59  molprobity     1  True   
514  514  Cg_exo    -67.2   166.5  Favored  ?      7   8  0.51  11  0.49  molprobity     1  True   
515  515  pttp     -105.4     0.0  Favored  ?     13   9  0.50  11  0.58  molprobity     1  True   
516  516  t        -115.7    98.9  Favored  ?      9   7  0.35  11  0.52  molprobity     1  True   
517  517  Cg_exo    -67.8   101.2  Allowed  ?      7   8  0.35  11  0.39  molprobity     1  True   
518  518  ttpt      -84.8   108.4  Favored  ?     13   9  0.33  11  0.24  molprobity     1  True   
519  519  m        -112.2   107.0  Favored  ?      4   6  0.25   8  0.33  molprobity     1  True   
520  520  tt       -148.0   146.6  Favored  ?     11   8  0.23  11  0.31  molprobity     1  True   
521  521  m-20       58.4    32.7  Favored  ?      6   8  0.39  11  0.25  molprobity     1  True   
522  522  ?          77.3    -2.1  Favored  ?      3   4  0.29   5  0.12  molprobity     1  True   
523  523  m-85     -105.1   136.4  Favored  ?      9  12  0.33  16  0.22  molprobity     1  True   
524  524  m        -117.1   123.9  Favored  ?      4   6  0.24   8  0.45  molprobity     1  True   
525  525  mmmm     -131.9   171.6  Favored  ?     13   9  0.33  11  0.36  molprobity     1  True   
526  526  m        -122.8   124.0  Favored  ?      4   6  0.15   8  0.46  molprobity     1  True   
527  527  m        -116.2   171.1  Favored  ?      9   7  0.28  10  0.33  molprobity     1  True   
528  528  ppt_?         ?       ?  ?        ?     13  11  0.58  11  0.60  molprobity     1  True   
529  529  ?             ?       ?  ?        ?      7   5  0.50   7  0.35  molprobity     ?  False  
530  530  m        -146.3   124.4  Favored  ?      7   7  0.43  10  0.42  molprobity     ?  False  
531  531  mttm      -84.7   156.4  Favored  ?     13   9  0.37  12  0.51  molprobity     ?  False  
532  532  Cg_exo    -52.5    88.6  OUTLIER  ?      7   8  0.29  11  0.33  molprobity     1  True   
533  533  m        -113.3   129.0  Favored  ?      4   6  0.40   8  0.28  molprobity     1  True   
534  534  tp60      -51.6   -42.9  Favored  ?      8   9  0.33  12  0.43  molprobity     1  True   
535  535  m        -106.5    72.6  Allowed  ?      5   6  0.43   8  0.50  molprobity     1  True   
536  536  p-10      -44.0   -31.2  Allowed  ?      4   8  0.41  11  0.59  molprobity     1  True   
537  537  mttp      -71.6    -9.1  Favored  ?     13   9  0.30  11  0.45  molprobity     1  True   
538  538  t70      -156.7    94.8  Allowed  ?      4   8  0.27  11  0.57  molprobity     1  True   
539  539  t        -161.3   167.4  Favored  ?      4   6  0.28   8  0.25  molprobity     1  True   
540  540  mttt     -125.8   125.8  Favored  ?     13   9  0.25  11  0.23  molprobity     1  True   
541  541  OUTLIER   -74.2   115.0  Favored  ?     13   9  0.42  11  0.49  molprobity     1  True   
542  542  m-85     -112.3   137.7  Favored  ?      9  12  0.36  16  0.21  molprobity     1  True   
543  543  ?         -97.2   108.8  Favored  ?      5   5  0.26   7  0.37  molprobity     1  True   
544  544  p        -118.1   167.9  Favored  ?      4   6  0.32   8  0.48  molprobity     1  True   
545  545  ptp180    -65.9   149.2  Favored  ?     13  11  0.29  14  0.53  molprobity     1  True   
546  546  ttmt      -46.3   130.8  Favored  Y     13   9  0.48  12  0.65  molprobity     1  True   
547  547  Cg_exo    -70.5   153.1  Favored  ?      7   8  0.31  11  0.33  molprobity     1  True   
548  548  mtpp     -110.2     9.0  Favored  ?     13   9  0.30  11  0.51  molprobity     1  True   
549  549  t        -115.2    90.2  Favored  ?      9   7  0.32  11  0.55  molprobity     1  True   
550  550  Cg_exo    -66.0   106.5  Allowed  ?      7   8  0.31  11  0.38  molprobity     1  True   
551  551  mttm      -84.8   117.9  Favored  ?     13   9  0.35  11  0.38  molprobity     1  True   
552  552  t        -117.6   107.8  Favored  ?      4   6  0.63   8  0.44  molprobity     1  True   
553  553  mp       -106.2   110.5  Favored  ?     11   8  0.32  11  0.46  molprobity     1  True   
554  554  m-20       57.2    37.4  Favored  ?      6   8  0.34  11  0.31  molprobity     1  True   
555  555  ?          96.4   -20.4  Favored  ?      3   4  0.24   5  0.12  molprobity     1  True   
556  556  m-85      -82.9   104.2  Favored  ?      9  12  0.33  16  0.21  molprobity     1  True   
557  557  OUTLIER  -123.7   127.4  Favored  ?      4   6  0.60   8  0.33  molprobity     1  True   
558  558  mttm     -138.1   171.7  Favored  ?     13   9  0.33  11  0.29  molprobity     1  True   
559  559  m        -109.4   123.4  Favored  ?      4   6  0.22   8  0.66  molprobity     1  True   
560  560  m        -148.8   172.7  Allowed  ?      9   7  0.23  10  0.42  molprobity     1  True   
561  561  mtm-85        ?       ?  ?        ?     13  11  0.55  11  0.39  molprobity     1  True   
562  562  ?             ?       ?  ?        ?      7   5  0.52   7  0.26  molprobity     ?  False  
563  563  m         -78.8   127.1  Favored  ?      7   7  0.33  10  0.41  molprobity     ?  False  
564  564  mmmm      -74.4   161.9  Favored  ?     13   9  0.47  12  0.52  molprobity     ?  False  
565  565  Cg_exo    -49.0    94.3  OUTLIER  ?      7   8  0.34  11  0.37  molprobity     1  True   
566  566  p        -130.2   147.9  Favored  ?      4   6  0.37   8  0.50  molprobity     1  True   
567  567  tt0       -34.9   -61.7  Allowed  ?      8   9  0.34  12  0.29  molprobity     1  True   
568  568  p        -106.8    72.5  Allowed  ?      5   6  0.36   8  0.59  molprobity     1  True   
569  569  p-10      -53.4   -16.5  Allowed  ?      4   8  0.27  11  0.32  molprobity     1  True   
570  570  mmpt?     -59.6   -29.5  Favored  ?     13   9  0.39  11  0.38  molprobity     1  True   
571  571  t70      -164.0   102.0  Allowed  ?      4   8  0.20  11  0.39  molprobity     1  True   
572  572  m        -126.9   143.5  Favored  ?      4   6  0.27   8  0.33  molprobity     1  True   
573  573  mtmt     -104.5   170.4  Favored  ?     13   9  0.28  11  0.51  molprobity     1  True   
574  574  tmmm?     -67.5   118.3  Favored  ?     13   9  0.45  11  0.57  molprobity     1  True   
575  575  t80      -137.8   134.2  Favored  ?      9  12  0.35  16  0.22  molprobity     1  True   
576  576  ?        -128.1   117.4  Favored  ?      5   5  0.24   7  0.34  molprobity     1  True   
577  577  p        -116.2   172.4  Favored  ?      4   6  0.14   8  0.24  molprobity     1  True   
578  578  ttm180    -60.6   148.3  Favored  ?     13  11  0.28  14  0.39  molprobity     1  True   
579  579  mtmt      -60.7   155.6  Favored  Y     13   9  0.64  12  0.53  molprobity     1  True   
580  580  Cg_endo   -54.2   161.0  Favored  ?      7   8  0.59  11  0.47  molprobity     1  True   
581  581  tttm     -100.2     5.5  Favored  ?     13   9  0.34  11  0.61  molprobity     1  True   
582  582  t        -122.4    88.6  Favored  ?      9   7  0.31  11  0.52  molprobity     1  True   
583  583  Cg_endo   -69.9   134.9  Favored  ?      7   8  0.22  11  0.25  molprobity     1  True   
584  584  mttp     -131.6   122.6  Favored  ?     13   9  0.37  11  0.26  molprobity     1  True   
585  585  m        -101.9   122.6  Favored  ?      4   6  0.17   8  0.32  molprobity     1  True   
586  586  mm       -135.1   131.2  Favored  ?     11   8  0.28  11  0.46  molprobity     1  True   
587  587  m-20       53.7    36.3  Favored  ?      6   8  0.37  11  0.28  molprobity     1  True   
588  588  ?          88.5   -22.2  Favored  ?      3   4  0.23   5  0.14  molprobity     1  True   
589  589  m-85      -91.4   120.5  Favored  ?      9  12  0.33  16  0.19  molprobity     1  True   
590  590  m         -97.9   124.0  Favored  ?      4   6  0.21   8  0.37  molprobity     1  True   
591  591  mptp?    -107.0   157.6  Favored  ?     13   9  0.42  11  0.51  molprobity     1  True   
592  592  m        -110.2   122.9  Favored  ?      4   6  0.29   8  0.56  molprobity     1  True   
593  593  m        -154.7   172.4  Allowed  ?      9   7  0.39  10  0.61  molprobity     1  True   
594  594  mtm180        ?       ?  ?        ?     13  11  0.53  11  0.45  molprobity     1  True   
595  595  ?             ?       ?  ?        ?      7   5  0.57   7  0.26  molprobity     ?  False  
596  596  p         -91.9   118.6  Favored  ?      7   7  0.37  10  0.61  molprobity     ?  False  
597  597  mmmm     -114.6   140.3  Favored  ?     13   9  0.33  12  0.53  molprobity     ?  False  
598  598  Cg_exo    -59.3    93.0  OUTLIER  ?      7   8  0.24  11  0.20  molprobity     1  True   
599  599  p        -154.8   167.8  Favored  ?      4   6  0.51   8  0.62  molprobity     1  True   
600  600  tt0       -30.6   -41.9  OUTLIER  ?      8   9  0.43  12  0.52  molprobity     1  True   
601  601  m        -131.2    76.9  Allowed  ?      5   6  0.33   8  0.61  molprobity     1  True   
602  602  m-20      -33.6   -44.9  Allowed  ?      4   8  0.36  11  0.53  molprobity     1  True   
603  603  ttmm      -53.0   -40.1  Favored  ?     13   9  0.37  11  0.20  molprobity     1  True   
604  604  t70      -139.3    92.9  Favored  ?      4   8  0.28  11  0.51  molprobity     1  True   
605  605  m        -105.9   156.6  Favored  ?      4   6  0.26   8  0.38  molprobity     1  True   
606  606  ttpm?    -143.3   138.7  Favored  ?     13   9  0.38  11  0.41  molprobity     1  True   
607  607  tptp      -79.3   111.8  Favored  ?     13   9  0.33  11  0.33  molprobity     1  True   
608  608  m-85      -95.7   166.8  Favored  ?      9  12  0.39  16  0.20  molprobity     1  True   
609  609  ?         -82.4   112.2  Favored  ?      5   5  0.25   7  0.33  molprobity     1  True   
610  610  t        -145.9   149.6  Favored  ?      4   6  0.24   8  0.28  molprobity     1  True   
611  611  mpt_?     -72.5   149.0  Favored  ?     13  11  0.41  14  0.42  molprobity     1  True   
612  612  mtpt      -44.4   138.6  Favored  Y     13   9  0.51  12  0.57  molprobity     1  True   
613  613  Cg_exo    -68.3  -175.8  Favored  ?      7   8  0.48  11  0.38  molprobity     1  True   
614  614  OUTLIER  -115.8     8.8  Favored  ?     13   9  0.36  11  0.63  molprobity     1  True   
615  615  t        -115.2    93.5  Favored  ?      9   7  0.38  11  0.55  molprobity     1  True   
616  616  Cg_exo    -65.8    82.0  Allowed  ?      7   8  0.34  11  0.43  molprobity     1  True   
617  617  ttmt      -98.5   103.2  Favored  ?     13   9  0.31  11  0.29  molprobity     1  True   
618  618  t        -107.0   135.3  Favored  ?      4   6  0.34   8  0.33  molprobity     1  True   
619  619  mt       -132.2   125.4  Favored  ?     11   8  0.24  11  0.48  molprobity     1  True   
620  620  t30        47.5    53.7  Favored  ?      6   8  0.34  11  0.30  molprobity     1  True   
621  621  ?          85.2   -25.8  Favored  ?      3   4  0.23   5  0.08  molprobity     1  True   
622  622  t80       -81.2   104.1  Favored  ?      9  12  0.35  16  0.22  molprobity     1  True   
623  623  m        -104.7   133.9  Favored  ?      4   6  0.24   8  0.50  molprobity     1  True   
624  624  tppp?    -154.9   158.4  Favored  ?     13   9  0.37  11  0.27  molprobity     1  True   
625  625  m        -110.1   123.5  Favored  ?      4   6  0.18   8  0.47  molprobity     1  True   
626  626  m        -127.8   171.7  Favored  ?      9   7  0.32  10  0.65  molprobity     1  True   
627  627  tpt180        ?       ?  ?        ?     13  11  0.58  11  0.57  molprobity     1  True   
628  628  ?             ?       ?  ?        ?      7   5  0.56   7  0.39  molprobity     ?  False  
629  629  t        -112.0   166.7  Favored  ?      7   7  0.34  10  0.48  molprobity     ?  False  
630  630  mptt      -89.1   146.9  Favored  ?     13   9  0.44  12  0.49  molprobity     ?  False  
631  631  Cg_endo   -68.0   112.9  Favored  ?      7   8  0.30  11  0.28  molprobity     1  True   
632  632  p        -149.0   174.7  Favored  ?      4   6  0.33   8  0.43  molprobity     1  True   
633  633  tt0       -39.4   -54.6  Allowed  ?      8   9  0.35  12  0.37  molprobity     1  True   
634  634  p        -114.7    73.0  Allowed  ?      5   6  0.45   8  0.60  molprobity     1  True   
635  635  p-10      -42.9   -30.0  Allowed  ?      4   8  0.28  11  0.32  molprobity     1  True   
636  636  mmmt      -49.1   -39.9  Favored  ?     13   9  0.37  11  0.36  molprobity     1  True   
637  637  t70      -170.5   120.4  Allowed  ?      4   8  0.35  11  0.53  molprobity     1  True   
638  638  m        -129.0   148.6  Favored  ?      4   6  0.25   8  0.33  molprobity     1  True   
639  639  ttmt      -62.5   142.9  Favored  ?     13   9  0.27  11  0.39  molprobity     1  True   
640  640  ptmt      -56.0    98.9  OUTLIER  ?     13   9  0.30  11  0.37  molprobity     1  True   
641  641  m-85      -87.6   116.3  Favored  ?      9  12  0.37  16  0.23  molprobity     1  True   
642  642  ?         -82.7   123.0  Favored  ?      5   5  0.20   7  0.33  molprobity     1  True   
643  643  t        -149.8   169.8  Favored  ?      4   6  0.14   8  0.45  molprobity     1  True   
644  644  mpt_?     -86.6   148.9  Favored  ?     13  11  0.28  14  0.32  molprobity     1  True   
645  645  ptpt      -64.2   149.3  Favored  Y     13   9  0.61  12  0.57  molprobity     1  True   
646  646  Cg_endo   -57.9   158.0  Favored  ?      7   8  0.49  11  0.46  molprobity     1  True   
647  647  OUTLIER   -99.4     8.7  Favored  ?     13   9  0.44  11  0.60  molprobity     1  True   
648  648  t        -115.3    92.6  Favored  ?      9   7  0.35  11  0.47  molprobity     1  True   
649  649  Cg_exo    -74.5   144.7  Favored  ?      7   8  0.33  11  0.43  molprobity     1  True   
650  650  tttt     -134.7   126.3  Favored  ?     13   9  0.30  11  0.25  molprobity     1  True   
651  651  m        -128.5   122.3  Favored  ?      4   6  0.21   8  0.22  molprobity     1  True   
652  652  tt       -147.9   129.8  Favored  ?     11   8  0.21  11  0.34  molprobity     1  True   
653  653  m-20       54.2    33.0  Favored  ?      6   8  0.40  11  0.27  molprobity     1  True   
654  654  ?          92.8   -19.7  Favored  ?      3   4  0.27   5  0.12  molprobity     1  True   
655  655  m-85      -76.7   125.5  Favored  ?      9  12  0.31  16  0.18  molprobity     1  True   
656  656  m        -137.7   123.8  Favored  ?      4   6  0.25   8  0.46  molprobity     1  True   
657  657  mtmt     -147.9   161.2  Favored  ?     13   9  0.39  11  0.46  molprobity     1  True   
658  658  m        -110.4   124.2  Favored  ?      4   6  0.26   8  0.62  molprobity     1  True   
659  659  m        -118.6   171.8  Favored  ?      9   7  0.35  10  0.46  molprobity     1  True   
660  660  ttt-85        ?       ?  ?        ?     13  11  0.55  11  0.65  molprobity     1  True   
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    7  O      1  0.41  2.78  
  2   11  SG     1  0.41  2.78  
  3   16  SG     2  0.45  2.52  
  4   18  HA     3  0.44  2.32  
  5   19  C      3  0.44  2.32  
  6   22  HG3    2  0.45  2.52  
  7   24  HA     4  0.41  2.16  
  8   28  O      4  0.41  2.16  
  9   36  N      5  0.51  2.20  
 10   36  HD2    5  0.51  2.20  
 11   49  SG     6  0.44  2.52  
 12   51  HA     7  0.52  2.25  
 13   51  HD3    8  0.42  2.14  
 14   51  O      8  0.42  2.14  
 15   52  C      7  0.52  2.25  
 16   55  HB3    6  0.44  2.52  
 17   71  SG     9  0.45  2.51  
 18   74  HA    10  0.44  1.88  
 19   77  HB3   10  0.44  1.88  
 20   84  HD3   11  0.41  1.92  
 21   84  HA    12  0.41  2.36  
 22   85  C     12  0.41  2.36  
 23   86  HB3   11  0.41  1.92  
 24   90  HB2    9  0.45  2.51  
 25  117  HA    13  0.55  2.22  
 26  117  HD3   14  0.44  2.11  
 27  117  O     14  0.44  2.11  
 28  118  C     13  0.55  2.22  
 29  141  HE2   15  0.50  1.84  
 30  141  HA    15  0.50  1.84  
 31  144  HD2   16  0.43  2.28  
 32  144  N     16  0.43  2.28  
 33  148  SG    17  0.42  2.92  
 34  149  N     17  0.42  2.92  
 35  171  HB2   18  0.52  1.81  
 36  177  HD2   19  0.41  2.30  
 37  177  N     19  0.41  2.30  
 38  181  SG    20  0.53  2.81  
 39  182  N     20  0.53  2.81  
 40  190  HA    18  0.52  1.81  
 41  202  HB2   21  0.47  1.86  
 42  211  NZ    22  0.42  2.30  
 43  211  HB3   22  0.42  2.30  
 44  221  HG3   21  0.47  1.86  
 45  237  HB2   23  0.58  1.75  
 46  249  HA    24  0.43  2.14  
 47  250  O     24  0.43  2.14  
 48  256  HA    23  0.58  1.75  
 49  282  HA    25  0.52  2.23  
 50  283  C     25  0.52  2.23  
 51  300  HD2   26  0.42  2.30  
 52  300  N     26  0.42  2.30  
 53  302  SG    27  0.50  2.46  
 54  305  HA    27  0.50  2.46  
 55  309  HE3   28  0.56  1.75  
 56  309  HA    28  0.56  1.75  
 57  315  HA    29  0.54  2.23  
 58  316  C     29  0.54  2.23  
 59  316  O     30  0.44  2.13  
 60  328  HB3   30  0.44  2.13  
 61  330  OXT   31  0.44  2.13  
 62  330  HD2   31  0.44  2.13  
 63  333  NZ    32  0.45  2.87  
 64  333  NZ    33  0.42  2.89  
 65  334  HG2   34  0.49  1.85  
 66  335  SG    35  0.62  2.35  
 67  335  SG    32  0.45  2.87  
 68  348  HA    36  0.53  2.23  
 69  349  C     36  0.53  2.23  
 70  350  HD3   37  0.45  2.12  
 71  350  O     37  0.45  2.12  
 72  353  HB3   34  0.49  1.85  
 73  354  HB2   35  0.62  2.35  
 74  354  SG    33  0.42  2.89  
 75  379  SG    38  0.40  2.94  
 76  380  N     38  0.40  2.94  
 77  381  HA    39  0.46  2.29  
 78  382  HG2   40  0.48  1.85  
 79  382  C     39  0.46  2.29  
 80  383  O     41  0.42  2.14  
 81  385  HD3   41  0.42  2.14  
 82  395  HA    40  0.48  1.85  
 83  399  N     42  0.40  2.30  
 84  399  HD2   42  0.40  2.30  
 85  401  SG    43  0.55  2.41  
 86  401  SG    44  0.46  2.94  
 87  401  SG    45  0.41  3.08  
 88  401  SG    46  0.40  2.79  
 89  403  C     44  0.46  2.94  
 90  403  O     46  0.40  2.79  
 91  404  HA    43  0.55  2.41  
 92  404  CA    45  0.41  3.08  
 93  435  HB2   47  0.48  2.08  
 94  447  HA    48  0.41  2.35  
 95  448  C     48  0.41  2.35  
 96  449  HD3   49  0.40  1.93  
 97  450  HG23  49  0.40  1.93  
 98  453  O     47  0.48  2.08  
 99  467  SG    50  0.53  2.43  
100  468  HB3   51  0.47  1.69  
101  470  HA    50  0.53  2.43  
102  471  HB3   52  0.40  2.32  
103  471  NZ    52  0.40  2.32  
104  473  SG    53  0.63  2.69  
105  475  NZ    53  0.63  2.69  
106  476  O     54  0.41  2.15  
107  482  NZ    55  0.47  2.25  
108  482  HB3   55  0.47  2.25  
109  484  HG3   54  0.41  2.15  
110  484  HA    56  0.40  2.16  
111  488  H     51  0.47  1.69  
112  492  O     56  0.40  2.16  
113  499  O     57  0.52  2.05  
114  500  HB3   58  0.42  1.90  
115  503  HA    58  0.42  1.90  
116  518  HA    57  0.52  2.05  
117  531  HD3   59  0.52  1.81  
118  541  HD3   60  0.50  1.67  
119  541  H     60  0.50  1.67  
120  550  HA    61  0.53  2.03  
121  550  HD2   59  0.52  1.81  
122  558  O     61  0.53  2.03  
123  566  SG    62  0.63  2.34  
124  567  NE2   63  0.40  2.32  
125  569  HA    62  0.63  2.34  
126  570  HE2   64  0.49  1.85  
127  570  HA    64  0.49  1.85  
128  579  HA    65  0.48  2.29  
129  580  C     65  0.48  2.29  
130  587  HA    63  0.40  2.32  
131  596  HA    66  0.44  2.13  
132  597  O     67  0.49  2.08  
133  597  O     68  0.42  2.78  
134  602  HA    67  0.49  2.08  
135  602  O     66  0.44  2.13  
136  605  SG    68  0.42  2.78  
137  611  HD2   69  0.41  2.31  
138  611  N     69  0.41  2.31  
139  614  HD2   70  0.41  1.92  
140  615  HG23  70  0.41  1.92  
141  632  SG    71  0.53  2.43  
142  633  HB2   72  0.41  1.92  
143  635  HA    71  0.53  2.43  
144  643  SG    73  0.52  2.82  
145  644  N     73  0.52  2.82  
146  645  HA    74  0.49  2.27  
147  646  C     74  0.49  2.27  
148  652  HA    72  0.41  1.92  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        True  
 2  1        ?     
 3  1        ?     
 4  2        ?     
 5  1        ?     
 6  3        ?     
 7  2        True  
 8  2        ?     
 9  1        ?     
10  3        ?     
11  1        ?     
12  2        ?     
13  outlier  ?     
14  1        ?     
15  4        ?     
16  2        ?     
17  outlier  ?     
18  3        True  
19  4        True  
20  outlier  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  30
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.800
_pdbx_vrpt_cyrange_domain.medoid_model        4
_pdbx_vrpt_cyrange_domain.medoid_rmsd         1.003
_pdbx_vrpt_cyrange_domain.residue_string      A:3-A:32
#
_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                        DEF13_BMRB_Band2_gwb1-2PBpNEkH.txt
_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           318
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           318
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            318
_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   0  0.173  
 2  A  THR   1  0.156  
 3  A  LYS   2  0.139  
 4  A  PRO   3  0.098  
 5  A  CYS   4  0.071  
 6  A  GLN   5  0.040  
 7  A  SER   6  0.044  
 8  A  ASP   7  0.045  
 9  A  LYS   8  0.050  
10  A  ASP   9  0.046  
11  A  CYS  10  0.057  
12  A  LYS  11  0.099  
13  A  LYS  12  0.114  
14  A  PHE  13  0.097  
15  A  ALA  14  0.049  
16  A  CYS  15  0.029  
17  A  ARG  16  0.047  
18  A  LYS  17  0.062  
19  A  PRO  18  0.061  
20  A  LYS  19  0.041  
21  A  VAL  20  0.024  
22  A  PRO  21  0.019  
23  A  LYS  22  0.019  
24  A  CYS  23  0.019  
25  A  ILE  24  0.030  
26  A  ASN  25  0.045  
27  A  GLY  26  0.048  
28  A  PHE  27  0.040  
29  A  CYS  28  0.030  
30  A  LYS  29  0.031  
31  A  CYS  30  0.033  
32  A  VAL  31  0.030  
33  A  ARG  32  0.028  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        THR
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    1
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  HG1
_pdbx_vrpt_chemical_shift_outlier.value          4.14
_pdbx_vrpt_chemical_shift_outlier.zscore         14.230
_pdbx_vrpt_chemical_shift_outlier.prediction     0.08~2.19
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00   0.00   0  
2  CA  0.50  0.32   0.39  31  
3  CB  0.50  0.33  -0.10  27  
4  N   0.50  0.56  -0.54  28  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0    2    2  stereomethyl  stereomethyl  
 2  291  117  408  overall       Total         
 3  111   34  145  backbone      Total         
 4  172   71  243  sidechain     Total         
 5    8   12   20  aromatic      Total         
 6  184   38  222  overall       H             
 7   57    1   58  backbone      H             
 8  119   35  154  sidechain     H             
 9    8    2   10  aromatic      H             
10   79   65  144  overall       C             
11   28   32   60  backbone      C             
12   51   23   74  sidechain     C             
13    0   10   10  aromatic      C             
14   28   14   42  overall       N             
15   26    1   27  backbone      N             
16    2   13   15  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    2    2  stereomethyl  stereomethyl  
 2  317  129  446  overall       Total         
 3  121   39  160  backbone      Total         
 4  188   78  266  sidechain     Total         
 5    8   12   20  aromatic      Total         
 6  200   43  243  overall       H             
 7   62    2   64  backbone      H             
 8  130   39  169  sidechain     H             
 9    8    2   10  aromatic      H             
10   87   70  157  overall       C             
11   31   35   66  backbone      C             
12   56   25   81  sidechain     C             
13    0   10   10  aromatic      C             
14   30   16   46  overall       N             
15   28    2   30  backbone      N             
16    2   14   16  sidechain     N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    119  
 2  "Intra-residue (|i-j|=0)"                       41  
 3  "Sequential (|i-j|=1)"                          42  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             4  
 5  "Long range (|i-j|>=5)"                         11  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                12  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               50  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             5.1  
12  "Number of long range restraints per residue"  0.7  
#
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                  41   34.5  0  0.0   0.0  0  0.0   0.0  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0   0.0  0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    39   32.8  0  0.0   0.0  0  0.0   0.0  
 4  Intra-residue  SidechainSidechain    2    1.7  0  0.0   0.0  0  0.0   0.0  
 5  Sequential     all                  42   35.3  0  0.0   0.0  0  0.0   0.0  
 6  Sequential     BackboneBackbone     17   14.3  0  0.0   0.0  0  0.0   0.0  
 7  Sequential     BackboneSidechain    25   21.0  0  0.0   0.0  0  0.0   0.0  
 8  Sequential     SidechainSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
 9  MediumRange    all                   4    3.4  0  0.0   0.0  0  0.0   0.0  
10  MediumRange    BackboneBackbone      3    2.5  0  0.0   0.0  0  0.0   0.0  
11  MediumRange    BackboneSidechain     1    0.8  0  0.0   0.0  0  0.0   0.0  
12  MediumRange    SidechainSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
13  LongRange      all                  11    9.2  0  0.0   0.0  0  0.0   0.0  
14  LongRange      BackboneBackbone      3    2.5  0  0.0   0.0  0  0.0   0.0  
15  LongRange      BackboneSidechain     4    3.4  0  0.0   0.0  0  0.0   0.0  
16  LongRange      SidechainSidechain    4    3.4  0  0.0   0.0  0  0.0   0.0  
17  InterChain     all                   0    0.0  0  0.0   0.0  0  0.0   0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0   0.0  0  0.0   0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0   0.0  0  0.0   0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0   0.0  0  0.0   0.0  
21  HydrogenBond   all                  12   10.1  0  0.0   0.0  0  0.0   0.0  
22  DisulfideBond  all                   9    7.6  2  1.7  22.2  3  2.5  33.3  
23  Total          all                 119  100.0  0  0.0   0.0  0  0.0   0.0  
24  Total          BackboneBackbone     23   19.3  0  0.0   0.0  0  0.0   0.0  
25  Total          BackboneSidechain    69   58.0  0  0.0   0.0  0  0.0   0.0  
26  Total          SidechainSidechain    6    5.0  0  0.0   0.0  0  0.0   0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.14  0.13  0.13  0.00  
 2   2  0.13  0.13  0.13  0.00  
 3   3  0.14  0.14  0.14  0.00  
 4   4  0.13  0.13  0.13  0.00  
 5   5  0.14  0.13  0.12  0.01  
 6   6  0.14  0.13  0.13  0.01  
 7   7  0.13  0.13  0.13  0.00  
 8   8  0.14  0.13  0.13  0.00  
 9   9  0.14  0.14  0.14  0.00  
10  10  0.14  0.13  0.13  0.00  
11  11  0.14  0.13  0.13  0.00  
12  12  0.14  0.13  0.13  0.00  
13  13  0.14  0.13  0.13  0.00  
14  14  0.13  0.12  0.13  0.01  
15  15  0.14  0.13  0.13  0.01  
16  16  0.14  0.13  0.13  0.01  
17  17  0.14  0.13  0.13  0.01  
18  18  0.13  0.13  0.13  0.00  
19  19  0.13  0.12  0.12  0.01  
20  20  0.14  0.13  0.13  0.01  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          3  
  5   1  interchain    0  
  6   1  total         3  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          3  
 11   2  interchain    0  
 12   2  total         3  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          3  
 17   3  interchain    0  
 18   3  total         3  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          3  
 23   4  interchain    0  
 24   4  total         3  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          3  
 29   5  interchain    0  
 30   5  total         3  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          3  
 35   6  interchain    0  
 36   6  total         3  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          2  
 41   7  interchain    0  
 42   7  total         2  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          3  
 47   8  interchain    0  
 48   8  total         3  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          3  
 53   9  interchain    0  
 54   9  total         3  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          3  
 59  10  interchain    0  
 60  10  total         3  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          3  
 65  11  interchain    0  
 66  11  total         3  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          3  
 71  12  interchain    0  
 72  12  total         3  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          3  
 77  13  interchain    0  
 78  13  total         3  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          3  
 83  14  interchain    0  
 84  14  total         3  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          3  
 89  15  interchain    0  
 90  15  total         3  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          3  
 95  16  interchain    0  
 96  16  total         3  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          2  
101  17  interchain    0  
102  17  total         2  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          3  
107  18  interchain    0  
108  18  total         3  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          3  
113  19  interchain    0  
114  19  total         3  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          3  
119  20  interchain    0  
120  20  total         3  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_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  1  3  .  A   4  CYS  ?     1  A   5  SG  A  .  10  CYS  11  A  1  ?     SG  20  0.13  0.13  0.01  
2  2  3  .  A  15  CYS  ?     1  A  16  SG  A  .  30  CYS  31  A  1  ?     SG  20  0.13  0.13  0.01  
3  3  3  .  A  23  CYS  ?     1  A  24  SG  A  .  28  CYS  29  A  1  ?     SG  18  0.13  0.14  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  3  3   24   29  SG  SG  0.14  
 2  3  3   90   95  SG  SG  0.14  
 3  3  3  189  194  SG  SG  0.14  
 4  3  3  288  293  SG  SG  0.14  
 5  3  3  321  326  SG  SG  0.14  
 6  3  3  354  359  SG  SG  0.14  
 7  3  3  387  392  SG  SG  0.14  
 8  3  3  420  425  SG  SG  0.14  
 9  3  3  651  656  SG  SG  0.14  
10  2  3   82   97  SG  SG  0.14  
11  2  3  478  493  SG  SG  0.14  
12  2  3  544  559  SG  SG  0.14  
13  1  3   71   77  SG  SG  0.14  
14  1  3  137  143  SG  SG  0.14  
15  1  3  236  242  SG  SG  0.14  
16  1  3  269  275  SG  SG  0.14  
17  1  3  500  506  SG  SG  0.14  
18  3  3   57   62  SG  SG  0.13  
19  3  3  123  128  SG  SG  0.13  
20  3  3  255  260  SG  SG  0.13  
21  3  3  519  524  SG  SG  0.13  
22  3  3  585  590  SG  SG  0.13  
23  2  3   16   31  SG  SG  0.13  
24  2  3   49   64  SG  SG  0.13  
25  2  3  115  130  SG  SG  0.13  
26  2  3  214  229  SG  SG  0.13  
27  2  3  247  262  SG  SG  0.13  
28  2  3  280  295  SG  SG  0.13  
29  2  3  313  328  SG  SG  0.13  
30  2  3  346  361  SG  SG  0.13  
31  2  3  379  394  SG  SG  0.13  
32  2  3  412  427  SG  SG  0.13  
33  2  3  445  460  SG  SG  0.13  
34  2  3  577  592  SG  SG  0.13  
35  2  3  610  625  SG  SG  0.13  
36  1  3    5   11  SG  SG  0.13  
37  1  3   38   44  SG  SG  0.13  
38  1  3  104  110  SG  SG  0.13  
39  1  3  170  176  SG  SG  0.13  
40  1  3  203  209  SG  SG  0.13  
41  1  3  302  308  SG  SG  0.13  
42  1  3  335  341  SG  SG  0.13  
43  1  3  368  374  SG  SG  0.13  
44  1  3  401  407  SG  SG  0.13  
45  1  3  434  440  SG  SG  0.13  
46  1  3  467  473  SG  SG  0.13  
47  1  3  566  572  SG  SG  0.13  
48  1  3  632  638  SG  SG  0.13  
49  3  3  156  161  SG  SG  0.12  
50  2  3  148  163  SG  SG  0.12  
51  2  3  181  196  SG  SG  0.12  
52  2  3  511  526  SG  SG  0.12  
53  2  3  643  658  SG  SG  0.12  
54  1  3  533  539  SG  SG  0.12  
55  1  3  599  605  SG  SG  0.12  
56  3  3  453  458  SG  SG  0.11  
57  3  3  486  491  SG  SG  0.11  
58  3  3  618  623  SG  SG  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    25   50.0  0  0.0  0.0  2   4.0   8.0  
2  PSI    25   50.0  0  0.0  0.0  3   6.0  12.0  
3  Total  50  100.0  0  0.0  0.0  5  10.0  10.0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.50  1.50  1.50  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  1.40  1.40  1.40  0.00  
 4   4  1.50  1.50  1.50  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  1.40  1.25  1.25  0.15  
 7   7  0.00  0.00  0.00  0.00  
 8   8  1.50  1.50  1.50  0.00  
 9   9  1.20  1.20  1.20  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  1.20  1.15  1.15  0.05  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  1.30  1.30  1.30  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  1.40  1.23  1.20  0.12  
18  18  1.10  1.10  1.10  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    1  
 2   1  PSI    0  
 3   1  Total  1  
 4   2  PHI    0  
 5   2  PSI    0  
 6   2  Total  0  
 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    0  
14   5  PSI    0  
15   5  Total  0  
16   6  PHI    0  
17   6  PSI    2  
18   6  Total  2  
19   7  PHI    0  
20   7  PSI    0  
21   7  Total  0  
22   8  PHI    0  
23   8  PSI    1  
24   8  Total  1  
25   9  PHI    0  
26   9  PSI    1  
27   9  Total  1  
28  10  PHI    0  
29  10  PSI    0  
30  10  Total  0  
31  11  PHI    0  
32  11  PSI    0  
33  11  Total  0  
34  12  PHI    0  
35  12  PSI    2  
36  12  Total  2  
37  13  PHI    0  
38  13  PSI    0  
39  13  Total  0  
40  14  PHI    0  
41  14  PSI    0  
42  14  Total  0  
43  15  PHI    0  
44  15  PSI    1  
45  15  Total  1  
46  16  PHI    0  
47  16  PSI    0  
48  16  Total  0  
49  17  PHI    1  
50  17  PSI    2  
51  17  Total  3  
52  18  PHI    0  
53  18  PSI    2  
54  18  Total  2  
55  19  PHI    0  
56  19  PSI    0  
57  19  Total  0  
58  20  PHI    0  
59  20  PSI    0  
60  20  Total  0  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    2  
 2   1  PSI    1  
 3   1  Total  3  
 4   2  PHI    0  
 5   2  PSI    0  
 6   2  Total  0  
 7   3  PHI    0  
 8   3  PSI    0  
 9   3  Total  0  
10   4  PHI    0  
11   4  PSI    0  
12   4  Total  0  
13   5  PHI    0  
14   5  PSI    0  
15   5  Total  0  
16   6  PHI    0  
17   6  PSI    2  
18   6  Total  2  
19   7  PHI    0  
20   7  PSI    0  
21   7  Total  0  
22   8  PHI    0  
23   8  PSI    0  
24   8  Total  0  
25   9  PHI    0  
26   9  PSI    0  
27   9  Total  0  
28  10  PHI    0  
29  10  PSI    0  
30  10  Total  0  
31  11  PHI    0  
32  11  PSI    0  
33  11  Total  0  
34  12  PHI    0  
35  12  PSI    0  
36  12  Total  0  
37  13  PHI    0  
38  13  PSI    0  
39  13  Total  0  
40  14  PHI    0  
41  14  PSI    0  
42  14  Total  0  
43  15  PHI    0  
44  15  PSI    0  
45  15  Total  0  
46  16  PHI    0  
47  16  PSI    0  
48  16  Total  0  
49  17  PHI    0  
50  17  PSI    0  
51  17  Total  0  
52  18  PHI    0  
53  18  PSI    0  
54  18  Total  0  
55  19  PHI    0  
56  19  PSI    0  
57  19  Total  0  
58  20  PHI    0  
59  20  PSI    0  
60  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   1.5   0.8   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
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   8  1  .  A   6  SER  ?     1  A   7  N  A  .   6  SER   7  A  1  ?     CA  .  A   6  SER  ?     1  A   7  C  A  .   7  ASP   8  A  1  ?     N  6  1.30  1.35  0.15  
2  50  1  .  A  31  VAL  ?     1  A  32  N  A  .  31  VAL  32  A  1  ?     CA  .  A  31  VAL  ?     1  A  32  C  A  .  32  ARG  33  A  1  ?     N  6  1.25  1.20  0.15  
#
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   8  1  106  106  106  107  N  CA  C   N  1.50  
 2  50  1  263  263  263  264  N  CA  C   N  1.50  
 3  29  1   20   21   21   21  C  N   CA  C  1.50  
 4   8  1   73   73   73   74  N  CA  C   N  1.40  
 5   8  1  172  172  172  173  N  CA  C   N  1.40  
 6  50  1  560  560  560  561  N  CA  C   N  1.40  
 7   8  1  469  469  469  470  N  CA  C   N  1.30  
 8  50  1  296  296  296  297  N  CA  C   N  1.20  
 9  50  1  395  395  395  396  N  CA  C   N  1.20  
10  47  1  558  559  559  559  C  N   CA  C  1.20  
11   8  1  370  370  370  371  N  CA  C   N  1.10  
12   8  1  568  568  568  569  N  CA  C   N  1.10  
13  50  1  197  197  197  198  N  CA  C   N  1.10  
14  50  1  593  593  593  594  N  CA  C   N  1.10  
15  28  1  548  548  548  549  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  
##
