data_2MT7

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2MT7   
BMRB  25151  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2MT7
_pdbx_vrpt_summary.PDB_deposition_date         2014-08-14
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:22:35
_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  Hs1a
#
_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   47.13  158937  ?     ?     
2  2  1   62.89   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    3.02  154315  ?     ?     
6  2  3   30.62   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A    0.31  
 4  6  3  A   1  1  A    0.31  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A    1.91  
 8  6  3  A   2  1  A    1.91  
 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    0.31  
12  6  3  A   3  1  A    0.31  
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    0.56  
16  6  3  A   4  1  A    0.56  
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    0.56  
20  6  3  A   5  1  A    0.56  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    1.05  
24  6  3  A   6  1  A    1.05  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A    1.05  
28  6  3  A   7  1  A    1.05  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    1.05  
32  6  3  A   8  1  A    1.05  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A    0.56  
36  6  3  A   9  1  A    0.56  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A    1.05  
40  6  3  A  10  1  A    1.05  
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    3.65  
44  6  3  A  11  1  A    3.65  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A    1.05  
48  6  3  A  12  1  A    1.05  
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    1.91  
52  6  3  A  13  1  A    1.91  
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    1.91  
56  6  3  A  14  1  A    1.91  
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    1.05  
60  6  3  A  15  1  A    1.05  
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    0.31  
64  6  3  A  16  1  A    0.31  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A    1.05  
68  6  3  A  17  1  A    1.05  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A    0.18  
72  6  3  A  18  1  A    0.18  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A    1.91  
76  6  3  A  19  1  A    1.91  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A    1.91  
80  6  3  A  20  1  A    1.91  
#
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  0.26  0.20  271  362  
 2   2  1  A  A  0.26  0.20  271  362  
 3   3  1  A  A  0.26  0.20  271  362  
 4   4  1  A  A  0.26  0.20  271  362  
 5   5  1  A  A  0.26  0.20  271  362  
 6   6  1  A  A  0.26  0.20  271  362  
 7   7  1  A  A  0.26  0.20  271  362  
 8   8  1  A  A  0.26  0.20  271  362  
 9   9  1  A  A  0.26  0.20  271  362  
10  10  1  A  A  0.26  0.20  271  362  
11  11  1  A  A  0.26  0.20  271  362  
12  12  1  A  A  0.26  0.20  271  362  
13  13  1  A  A  0.26  0.20  271  362  
14  14  1  A  A  0.26  0.20  271  362  
15  15  1  A  A  0.26  0.20  271  362  
16  16  1  A  A  0.26  0.20  271  362  
17  17  1  A  A  0.26  0.20  271  362  
18  18  1  A  A  0.26  0.20  271  362  
19  19  1  A  A  0.26  0.20  271  362  
20  20  1  A  A  0.26  0.20  271  362  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   21.55
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       20.83
_pdbx_vrpt_summary_geometry.clashscore                                 6.44
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.15
_pdbx_vrpt_summary_geometry.num_H_reduce                               5100
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             5420
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.20
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            7240
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.26
#
_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            6
_pdbx_vrpt_summary_nmr.medoid_model                             7
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              87.56
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  86.70
#
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  GLY  A   1  .  ?        ?  
  2   1  1  A   2  ASN  A   2  .  ?        ?  
  3   1  1  A   3  ASP  A   3  .  ?        ?  
  4   1  1  A   4  CYS  A   4  .  ?        ?  
  5   1  1  A   5  LEU  A   5  .  ?        ?  
  6   1  1  A   6  GLY  A   6  .  ?        ?  
  7   1  1  A   7  PHE  A   7  .  ?        2  
  8   1  1  A   8  TRP  A   8  .  ?        ?  
  9   1  1  A   9  SER  A   9  .  ?        ?  
 10   1  1  A  10  ALA  A  10  .  ?        ?  
 11   1  1  A  11  CYS  A  11  .  ?        ?  
 12   1  1  A  12  ASN  A  12  .  ?        ?  
 13   1  1  A  13  PRO  A  13  .  ?        ?  
 14   1  1  A  14  LYS  A  14  .  ?        ?  
 15   1  1  A  15  ASN  A  15  .  ?        ?  
 16   1  1  A  16  ASP  A  16  .  ?        ?  
 17   1  1  A  17  LYS  A  17  .  ?        ?  
 18   1  1  A  18  CYS  A  18  .  ?        ?  
 19   1  1  A  19  CYS  A  19  .  ?        ?  
 20   1  1  A  20  ALA  A  20  .  ?        ?  
 21   1  1  A  21  ASN  A  21  .  ?        ?  
 22   1  1  A  22  LEU  A  22  .  ?        2  
 23   1  1  A  23  VAL  A  23  .  ?        ?  
 24   1  1  A  24  CYS  A  24  .  ?        ?  
 25   1  1  A  25  SER  A  25  .  ?        ?  
 26   1  1  A  26  SER  A  26  .  ?        ?  
 27   1  1  A  27  LYS  A  27  .  ?        ?  
 28   1  1  A  28  HIS  A  28  .  ?        ?  
 29   1  1  A  29  LYS  A  29  .  ?        ?  
 30   1  1  A  30  TRP  A  30  .  ?        ?  
 31   1  1  A  31  CYS  A  31  .  ?        ?  
 32   1  1  A  32  LYS  A  32  .  ?        ?  
 33   1  1  A  33  GLY  A  33  .  ?        ?  
 34   1  1  A  34  LYS  A  34  .  ?        ?  
 35   1  1  A  35  LEU  A  35  .  ?        ?  
 36   2  1  A   1  GLY  A   1  .  ?        ?  
 37   2  1  A   2  ASN  A   2  .  ?        ?  
 38   2  1  A   3  ASP  A   3  .  ?        ?  
 39   2  1  A   4  CYS  A   4  .  ?        ?  
 40   2  1  A   5  LEU  A   5  .  ?        ?  
 41   2  1  A   6  GLY  A   6  .  ?        ?  
 42   2  1  A   7  PHE  A   7  .  ?        2  
 43   2  1  A   8  TRP  A   8  .  ?        ?  
 44   2  1  A   9  SER  A   9  .  ?        ?  
 45   2  1  A  10  ALA  A  10  .  ?        ?  
 46   2  1  A  11  CYS  A  11  .  ?        ?  
 47   2  1  A  12  ASN  A  12  .  ?        ?  
 48   2  1  A  13  PRO  A  13  .  ?        ?  
 49   2  1  A  14  LYS  A  14  .  ?        ?  
 50   2  1  A  15  ASN  A  15  .  ?        ?  
 51   2  1  A  16  ASP  A  16  .  ?        ?  
 52   2  1  A  17  LYS  A  17  .  ?        ?  
 53   2  1  A  18  CYS  A  18  .  ?        ?  
 54   2  1  A  19  CYS  A  19  .  ?        ?  
 55   2  1  A  20  ALA  A  20  .  ?        ?  
 56   2  1  A  21  ASN  A  21  .  ?        ?  
 57   2  1  A  22  LEU  A  22  .  ?        2  
 58   2  1  A  23  VAL  A  23  .  ?        1  
 59   2  1  A  24  CYS  A  24  .  ?        ?  
 60   2  1  A  25  SER  A  25  .  ?        ?  
 61   2  1  A  26  SER  A  26  .  ?        ?  
 62   2  1  A  27  LYS  A  27  .  ?        ?  
 63   2  1  A  28  HIS  A  28  .  ?        ?  
 64   2  1  A  29  LYS  A  29  .  ?        ?  
 65   2  1  A  30  TRP  A  30  .  ?        ?  
 66   2  1  A  31  CYS  A  31  .  ?        ?  
 67   2  1  A  32  LYS  A  32  .  ?        1  
 68   2  1  A  33  GLY  A  33  .  ?        ?  
 69   2  1  A  34  LYS  A  34  .  ?        ?  
 70   2  1  A  35  LEU  A  35  .  ?        ?  
 71   3  1  A   1  GLY  A   1  .  ?        ?  
 72   3  1  A   2  ASN  A   2  .  ?        ?  
 73   3  1  A   3  ASP  A   3  .  ?        ?  
 74   3  1  A   4  CYS  A   4  .  ?        ?  
 75   3  1  A   5  LEU  A   5  .  ?        ?  
 76   3  1  A   6  GLY  A   6  .  ?        1  
 77   3  1  A   7  PHE  A   7  .  ?        2  
 78   3  1  A   8  TRP  A   8  .  ?        ?  
 79   3  1  A   9  SER  A   9  .  ?        ?  
 80   3  1  A  10  ALA  A  10  .  ?        ?  
 81   3  1  A  11  CYS  A  11  .  ?        ?  
 82   3  1  A  12  ASN  A  12  .  ?        ?  
 83   3  1  A  13  PRO  A  13  .  ?        ?  
 84   3  1  A  14  LYS  A  14  .  ?        ?  
 85   3  1  A  15  ASN  A  15  .  ?        ?  
 86   3  1  A  16  ASP  A  16  .  ?        ?  
 87   3  1  A  17  LYS  A  17  .  ?        ?  
 88   3  1  A  18  CYS  A  18  .  ?        ?  
 89   3  1  A  19  CYS  A  19  .  ?        1  
 90   3  1  A  20  ALA  A  20  .  ?        ?  
 91   3  1  A  21  ASN  A  21  .  ?        ?  
 92   3  1  A  22  LEU  A  22  .  ?        4  
 93   3  1  A  23  VAL  A  23  .  ?        1  
 94   3  1  A  24  CYS  A  24  .  ?        ?  
 95   3  1  A  25  SER  A  25  .  ?        ?  
 96   3  1  A  26  SER  A  26  .  ?        ?  
 97   3  1  A  27  LYS  A  27  .  ?        ?  
 98   3  1  A  28  HIS  A  28  .  ?        ?  
 99   3  1  A  29  LYS  A  29  .  ?        ?  
100   3  1  A  30  TRP  A  30  .  ?        ?  
101   3  1  A  31  CYS  A  31  .  ?        ?  
102   3  1  A  32  LYS  A  32  .  ?        1  
103   3  1  A  33  GLY  A  33  .  ?        ?  
104   3  1  A  34  LYS  A  34  .  ?        ?  
105   3  1  A  35  LEU  A  35  .  ?        ?  
106   4  1  A   1  GLY  A   1  .  ?        ?  
107   4  1  A   2  ASN  A   2  .  ?        ?  
108   4  1  A   3  ASP  A   3  .  ?        ?  
109   4  1  A   4  CYS  A   4  .  ?        ?  
110   4  1  A   5  LEU  A   5  .  ?        ?  
111   4  1  A   6  GLY  A   6  .  ?        1  
112   4  1  A   7  PHE  A   7  .  ?        2  
113   4  1  A   8  TRP  A   8  .  ?        ?  
114   4  1  A   9  SER  A   9  .  ?        ?  
115   4  1  A  10  ALA  A  10  .  ?        ?  
116   4  1  A  11  CYS  A  11  .  ?        ?  
117   4  1  A  12  ASN  A  12  .  ?        ?  
118   4  1  A  13  PRO  A  13  .  ?        ?  
119   4  1  A  14  LYS  A  14  .  ?        ?  
120   4  1  A  15  ASN  A  15  .  ?        ?  
121   4  1  A  16  ASP  A  16  .  ?        ?  
122   4  1  A  17  LYS  A  17  .  ?        ?  
123   4  1  A  18  CYS  A  18  .  ?        ?  
124   4  1  A  19  CYS  A  19  .  ?        1  
125   4  1  A  20  ALA  A  20  .  ?        ?  
126   4  1  A  21  ASN  A  21  .  ?        ?  
127   4  1  A  22  LEU  A  22  .  ?        4  
128   4  1  A  23  VAL  A  23  .  ?        ?  
129   4  1  A  24  CYS  A  24  .  ?        ?  
130   4  1  A  25  SER  A  25  .  ?        ?  
131   4  1  A  26  SER  A  26  .  ?        ?  
132   4  1  A  27  LYS  A  27  .  ?        ?  
133   4  1  A  28  HIS  A  28  .  ?        ?  
134   4  1  A  29  LYS  A  29  .  ?        ?  
135   4  1  A  30  TRP  A  30  .  ?        ?  
136   4  1  A  31  CYS  A  31  .  ?        ?  
137   4  1  A  32  LYS  A  32  .  ?        ?  
138   4  1  A  33  GLY  A  33  .  ?        ?  
139   4  1  A  34  LYS  A  34  .  ?        ?  
140   4  1  A  35  LEU  A  35  .  ?        ?  
141   5  1  A   1  GLY  A   1  .  ?        ?  
142   5  1  A   2  ASN  A   2  .  ?        ?  
143   5  1  A   3  ASP  A   3  .  ?        ?  
144   5  1  A   4  CYS  A   4  .  ?        ?  
145   5  1  A   5  LEU  A   5  .  ?        ?  
146   5  1  A   6  GLY  A   6  .  ?        ?  
147   5  1  A   7  PHE  A   7  .  ?        2  
148   5  1  A   8  TRP  A   8  .  ?        ?  
149   5  1  A   9  SER  A   9  .  ?        ?  
150   5  1  A  10  ALA  A  10  .  ?        ?  
151   5  1  A  11  CYS  A  11  .  ?        ?  
152   5  1  A  12  ASN  A  12  .  ?        ?  
153   5  1  A  13  PRO  A  13  .  ?        ?  
154   5  1  A  14  LYS  A  14  .  ?        ?  
155   5  1  A  15  ASN  A  15  .  ?        ?  
156   5  1  A  16  ASP  A  16  .  ?        ?  
157   5  1  A  17  LYS  A  17  .  ?        ?  
158   5  1  A  18  CYS  A  18  .  ?        ?  
159   5  1  A  19  CYS  A  19  .  ?        1  
160   5  1  A  20  ALA  A  20  .  ?        ?  
161   5  1  A  21  ASN  A  21  .  ?        ?  
162   5  1  A  22  LEU  A  22  .  ?        3  
163   5  1  A  23  VAL  A  23  .  ?        1  
164   5  1  A  24  CYS  A  24  .  ?        ?  
165   5  1  A  25  SER  A  25  .  ?        ?  
166   5  1  A  26  SER  A  26  .  ?        ?  
167   5  1  A  27  LYS  A  27  .  ?        ?  
168   5  1  A  28  HIS  A  28  .  ?        ?  
169   5  1  A  29  LYS  A  29  .  ?        ?  
170   5  1  A  30  TRP  A  30  .  ?        ?  
171   5  1  A  31  CYS  A  31  .  ?        ?  
172   5  1  A  32  LYS  A  32  .  ?        1  
173   5  1  A  33  GLY  A  33  .  ?        ?  
174   5  1  A  34  LYS  A  34  .  ?        ?  
175   5  1  A  35  LEU  A  35  .  ?        ?  
176   6  1  A   1  GLY  A   1  .  ?        ?  
177   6  1  A   2  ASN  A   2  .  ?        ?  
178   6  1  A   3  ASP  A   3  .  ?        ?  
179   6  1  A   4  CYS  A   4  .  ?        ?  
180   6  1  A   5  LEU  A   5  .  ?        ?  
181   6  1  A   6  GLY  A   6  .  ?        ?  
182   6  1  A   7  PHE  A   7  .  ?        2  
183   6  1  A   8  TRP  A   8  .  ?        ?  
184   6  1  A   9  SER  A   9  .  ?        ?  
185   6  1  A  10  ALA  A  10  .  ?        ?  
186   6  1  A  11  CYS  A  11  .  ?        ?  
187   6  1  A  12  ASN  A  12  .  ?        ?  
188   6  1  A  13  PRO  A  13  .  ?        ?  
189   6  1  A  14  LYS  A  14  .  ?        ?  
190   6  1  A  15  ASN  A  15  .  ?        ?  
191   6  1  A  16  ASP  A  16  .  ?        ?  
192   6  1  A  17  LYS  A  17  .  ?        ?  
193   6  1  A  18  CYS  A  18  .  ?        ?  
194   6  1  A  19  CYS  A  19  .  ?        ?  
195   6  1  A  20  ALA  A  20  .  ?        ?  
196   6  1  A  21  ASN  A  21  .  ?        ?  
197   6  1  A  22  LEU  A  22  .  ?        2  
198   6  1  A  23  VAL  A  23  .  ?        1  
199   6  1  A  24  CYS  A  24  .  ?        ?  
200   6  1  A  25  SER  A  25  .  ?        ?  
201   6  1  A  26  SER  A  26  .  ?        ?  
202   6  1  A  27  LYS  A  27  .  ?        ?  
203   6  1  A  28  HIS  A  28  .  ?        ?  
204   6  1  A  29  LYS  A  29  .  ?        ?  
205   6  1  A  30  TRP  A  30  .  ?        ?  
206   6  1  A  31  CYS  A  31  .  ?        ?  
207   6  1  A  32  LYS  A  32  .  ?        1  
208   6  1  A  33  GLY  A  33  .  ?        ?  
209   6  1  A  34  LYS  A  34  .  ?        ?  
210   6  1  A  35  LEU  A  35  .  ?        ?  
211   7  1  A   1  GLY  A   1  .  ?        ?  
212   7  1  A   2  ASN  A   2  .  ?        ?  
213   7  1  A   3  ASP  A   3  .  ?        ?  
214   7  1  A   4  CYS  A   4  .  ?        ?  
215   7  1  A   5  LEU  A   5  .  ?        ?  
216   7  1  A   6  GLY  A   6  .  ?        ?  
217   7  1  A   7  PHE  A   7  .  ?        2  
218   7  1  A   8  TRP  A   8  .  ?        ?  
219   7  1  A   9  SER  A   9  .  ?        ?  
220   7  1  A  10  ALA  A  10  .  ?        ?  
221   7  1  A  11  CYS  A  11  .  ?        ?  
222   7  1  A  12  ASN  A  12  .  ?        ?  
223   7  1  A  13  PRO  A  13  .  ?        ?  
224   7  1  A  14  LYS  A  14  .  ?        ?  
225   7  1  A  15  ASN  A  15  .  ?        ?  
226   7  1  A  16  ASP  A  16  .  ?        ?  
227   7  1  A  17  LYS  A  17  .  ?        ?  
228   7  1  A  18  CYS  A  18  .  ?        ?  
229   7  1  A  19  CYS  A  19  .  ?        ?  
230   7  1  A  20  ALA  A  20  .  ?        ?  
231   7  1  A  21  ASN  A  21  .  ?        ?  
232   7  1  A  22  LEU  A  22  .  ?        2  
233   7  1  A  23  VAL  A  23  .  ?        1  
234   7  1  A  24  CYS  A  24  .  ?        ?  
235   7  1  A  25  SER  A  25  .  ?        ?  
236   7  1  A  26  SER  A  26  .  ?        ?  
237   7  1  A  27  LYS  A  27  .  ?        ?  
238   7  1  A  28  HIS  A  28  .  ?        ?  
239   7  1  A  29  LYS  A  29  .  ?        ?  
240   7  1  A  30  TRP  A  30  .  ?        ?  
241   7  1  A  31  CYS  A  31  .  ?        ?  
242   7  1  A  32  LYS  A  32  .  ?        1  
243   7  1  A  33  GLY  A  33  .  ?        ?  
244   7  1  A  34  LYS  A  34  .  ?        ?  
245   7  1  A  35  LEU  A  35  .  ?        ?  
246   8  1  A   1  GLY  A   1  .  ?        ?  
247   8  1  A   2  ASN  A   2  .  ?        ?  
248   8  1  A   3  ASP  A   3  .  ?        ?  
249   8  1  A   4  CYS  A   4  .  ?        ?  
250   8  1  A   5  LEU  A   5  .  ?        ?  
251   8  1  A   6  GLY  A   6  .  ?        ?  
252   8  1  A   7  PHE  A   7  .  ?        2  
253   8  1  A   8  TRP  A   8  .  ?        ?  
254   8  1  A   9  SER  A   9  .  ?        ?  
255   8  1  A  10  ALA  A  10  .  ?        ?  
256   8  1  A  11  CYS  A  11  .  ?        ?  
257   8  1  A  12  ASN  A  12  .  ?        ?  
258   8  1  A  13  PRO  A  13  .  ?        ?  
259   8  1  A  14  LYS  A  14  .  ?        ?  
260   8  1  A  15  ASN  A  15  .  ?        ?  
261   8  1  A  16  ASP  A  16  .  ?        ?  
262   8  1  A  17  LYS  A  17  .  ?        ?  
263   8  1  A  18  CYS  A  18  .  ?        ?  
264   8  1  A  19  CYS  A  19  .  ?        ?  
265   8  1  A  20  ALA  A  20  .  ?        ?  
266   8  1  A  21  ASN  A  21  .  ?        ?  
267   8  1  A  22  LEU  A  22  .  ?        2  
268   8  1  A  23  VAL  A  23  .  ?        1  
269   8  1  A  24  CYS  A  24  .  ?        ?  
270   8  1  A  25  SER  A  25  .  ?        ?  
271   8  1  A  26  SER  A  26  .  ?        ?  
272   8  1  A  27  LYS  A  27  .  ?        ?  
273   8  1  A  28  HIS  A  28  .  ?        ?  
274   8  1  A  29  LYS  A  29  .  ?        ?  
275   8  1  A  30  TRP  A  30  .  ?        ?  
276   8  1  A  31  CYS  A  31  .  ?        ?  
277   8  1  A  32  LYS  A  32  .  ?        1  
278   8  1  A  33  GLY  A  33  .  ?        ?  
279   8  1  A  34  LYS  A  34  .  ?        ?  
280   8  1  A  35  LEU  A  35  .  ?        ?  
281   9  1  A   1  GLY  A   1  .  ?        ?  
282   9  1  A   2  ASN  A   2  .  ?        ?  
283   9  1  A   3  ASP  A   3  .  ?        ?  
284   9  1  A   4  CYS  A   4  .  ?        ?  
285   9  1  A   5  LEU  A   5  .  ?        ?  
286   9  1  A   6  GLY  A   6  .  ?        ?  
287   9  1  A   7  PHE  A   7  .  ?        2  
288   9  1  A   8  TRP  A   8  .  ?        ?  
289   9  1  A   9  SER  A   9  .  ?        ?  
290   9  1  A  10  ALA  A  10  .  ?        ?  
291   9  1  A  11  CYS  A  11  .  ?        ?  
292   9  1  A  12  ASN  A  12  .  ?        ?  
293   9  1  A  13  PRO  A  13  .  ?        ?  
294   9  1  A  14  LYS  A  14  .  ?        ?  
295   9  1  A  15  ASN  A  15  .  ?        ?  
296   9  1  A  16  ASP  A  16  .  ?        ?  
297   9  1  A  17  LYS  A  17  .  ?        ?  
298   9  1  A  18  CYS  A  18  .  ?        ?  
299   9  1  A  19  CYS  A  19  .  ?        ?  
300   9  1  A  20  ALA  A  20  .  ?        ?  
301   9  1  A  21  ASN  A  21  .  ?        ?  
302   9  1  A  22  LEU  A  22  .  ?        2  
303   9  1  A  23  VAL  A  23  .  ?        1  
304   9  1  A  24  CYS  A  24  .  ?        ?  
305   9  1  A  25  SER  A  25  .  ?        ?  
306   9  1  A  26  SER  A  26  .  ?        ?  
307   9  1  A  27  LYS  A  27  .  ?        ?  
308   9  1  A  28  HIS  A  28  .  ?        ?  
309   9  1  A  29  LYS  A  29  .  ?        ?  
310   9  1  A  30  TRP  A  30  .  ?        ?  
311   9  1  A  31  CYS  A  31  .  ?        ?  
312   9  1  A  32  LYS  A  32  .  ?        1  
313   9  1  A  33  GLY  A  33  .  ?        ?  
314   9  1  A  34  LYS  A  34  .  ?        ?  
315   9  1  A  35  LEU  A  35  .  ?        ?  
316  10  1  A   1  GLY  A   1  .  ?        ?  
317  10  1  A   2  ASN  A   2  .  ?        ?  
318  10  1  A   3  ASP  A   3  .  ?        ?  
319  10  1  A   4  CYS  A   4  .  ?        ?  
320  10  1  A   5  LEU  A   5  .  ?        ?  
321  10  1  A   6  GLY  A   6  .  ?        ?  
322  10  1  A   7  PHE  A   7  .  ?        2  
323  10  1  A   8  TRP  A   8  .  ?        ?  
324  10  1  A   9  SER  A   9  .  ?        ?  
325  10  1  A  10  ALA  A  10  .  ?        ?  
326  10  1  A  11  CYS  A  11  .  ?        ?  
327  10  1  A  12  ASN  A  12  .  ?        ?  
328  10  1  A  13  PRO  A  13  .  ?        ?  
329  10  1  A  14  LYS  A  14  .  ?        ?  
330  10  1  A  15  ASN  A  15  .  ?        ?  
331  10  1  A  16  ASP  A  16  .  ?        ?  
332  10  1  A  17  LYS  A  17  .  ?        ?  
333  10  1  A  18  CYS  A  18  .  ?        ?  
334  10  1  A  19  CYS  A  19  .  ?        ?  
335  10  1  A  20  ALA  A  20  .  ?        ?  
336  10  1  A  21  ASN  A  21  .  ?        ?  
337  10  1  A  22  LEU  A  22  .  ?        2  
338  10  1  A  23  VAL  A  23  .  ?        1  
339  10  1  A  24  CYS  A  24  .  ?        ?  
340  10  1  A  25  SER  A  25  .  ?        ?  
341  10  1  A  26  SER  A  26  .  ?        ?  
342  10  1  A  27  LYS  A  27  .  ?        ?  
343  10  1  A  28  HIS  A  28  .  ?        ?  
344  10  1  A  29  LYS  A  29  .  ?        ?  
345  10  1  A  30  TRP  A  30  .  ?        ?  
346  10  1  A  31  CYS  A  31  .  ?        ?  
347  10  1  A  32  LYS  A  32  .  ?        1  
348  10  1  A  33  GLY  A  33  .  ?        ?  
349  10  1  A  34  LYS  A  34  .  ?        ?  
350  10  1  A  35  LEU  A  35  .  ?        ?  
351  11  1  A   1  GLY  A   1  .  ?        ?  
352  11  1  A   2  ASN  A   2  .  ?        ?  
353  11  1  A   3  ASP  A   3  .  ?        ?  
354  11  1  A   4  CYS  A   4  .  ?        ?  
355  11  1  A   5  LEU  A   5  .  ?        ?  
356  11  1  A   6  GLY  A   6  .  ?        ?  
357  11  1  A   7  PHE  A   7  .  ?        2  
358  11  1  A   8  TRP  A   8  .  ?        ?  
359  11  1  A   9  SER  A   9  .  ?        ?  
360  11  1  A  10  ALA  A  10  .  ?        ?  
361  11  1  A  11  CYS  A  11  .  ?        ?  
362  11  1  A  12  ASN  A  12  .  ?        ?  
363  11  1  A  13  PRO  A  13  .  ?        ?  
364  11  1  A  14  LYS  A  14  .  ?        ?  
365  11  1  A  15  ASN  A  15  .  ?        ?  
366  11  1  A  16  ASP  A  16  .  ?        ?  
367  11  1  A  17  LYS  A  17  .  ?        ?  
368  11  1  A  18  CYS  A  18  .  ?        ?  
369  11  1  A  19  CYS  A  19  .  ?        ?  
370  11  1  A  20  ALA  A  20  .  ?        ?  
371  11  1  A  21  ASN  A  21  .  ?        ?  
372  11  1  A  22  LEU  A  22  .  ?        2  
373  11  1  A  23  VAL  A  23  .  ?        1  
374  11  1  A  24  CYS  A  24  .  ?        ?  
375  11  1  A  25  SER  A  25  .  ?        ?  
376  11  1  A  26  SER  A  26  .  ?        ?  
377  11  1  A  27  LYS  A  27  .  ?        ?  
378  11  1  A  28  HIS  A  28  .  ?        ?  
379  11  1  A  29  LYS  A  29  .  ?        ?  
380  11  1  A  30  TRP  A  30  .  ?        ?  
381  11  1  A  31  CYS  A  31  .  ?        ?  
382  11  1  A  32  LYS  A  32  .  ?        1  
383  11  1  A  33  GLY  A  33  .  ?        ?  
384  11  1  A  34  LYS  A  34  .  ?        ?  
385  11  1  A  35  LEU  A  35  .  ?        ?  
386  12  1  A   1  GLY  A   1  .  ?        ?  
387  12  1  A   2  ASN  A   2  .  ?        ?  
388  12  1  A   3  ASP  A   3  .  ?        ?  
389  12  1  A   4  CYS  A   4  .  ?        ?  
390  12  1  A   5  LEU  A   5  .  ?        ?  
391  12  1  A   6  GLY  A   6  .  ?        ?  
392  12  1  A   7  PHE  A   7  .  ?        2  
393  12  1  A   8  TRP  A   8  .  ?        ?  
394  12  1  A   9  SER  A   9  .  ?        ?  
395  12  1  A  10  ALA  A  10  .  ?        ?  
396  12  1  A  11  CYS  A  11  .  ?        ?  
397  12  1  A  12  ASN  A  12  .  ?        ?  
398  12  1  A  13  PRO  A  13  .  ?        ?  
399  12  1  A  14  LYS  A  14  .  ?        ?  
400  12  1  A  15  ASN  A  15  .  ?        ?  
401  12  1  A  16  ASP  A  16  .  ?        ?  
402  12  1  A  17  LYS  A  17  .  ?        ?  
403  12  1  A  18  CYS  A  18  .  ?        ?  
404  12  1  A  19  CYS  A  19  .  ?        ?  
405  12  1  A  20  ALA  A  20  .  ?        ?  
406  12  1  A  21  ASN  A  21  .  ?        ?  
407  12  1  A  22  LEU  A  22  .  ?        2  
408  12  1  A  23  VAL  A  23  .  ?        1  
409  12  1  A  24  CYS  A  24  .  ?        ?  
410  12  1  A  25  SER  A  25  .  ?        ?  
411  12  1  A  26  SER  A  26  .  ?        ?  
412  12  1  A  27  LYS  A  27  .  ?        ?  
413  12  1  A  28  HIS  A  28  .  ?        ?  
414  12  1  A  29  LYS  A  29  .  ?        ?  
415  12  1  A  30  TRP  A  30  .  ?        ?  
416  12  1  A  31  CYS  A  31  .  ?        ?  
417  12  1  A  32  LYS  A  32  .  ?        1  
418  12  1  A  33  GLY  A  33  .  ?        ?  
419  12  1  A  34  LYS  A  34  .  ?        ?  
420  12  1  A  35  LEU  A  35  .  ?        ?  
421  13  1  A   1  GLY  A   1  .  ?        ?  
422  13  1  A   2  ASN  A   2  .  ?        ?  
423  13  1  A   3  ASP  A   3  .  ?        ?  
424  13  1  A   4  CYS  A   4  .  ?        ?  
425  13  1  A   5  LEU  A   5  .  ?        ?  
426  13  1  A   6  GLY  A   6  .  ?        ?  
427  13  1  A   7  PHE  A   7  .  ?        2  
428  13  1  A   8  TRP  A   8  .  ?        ?  
429  13  1  A   9  SER  A   9  .  ?        ?  
430  13  1  A  10  ALA  A  10  .  ?        ?  
431  13  1  A  11  CYS  A  11  .  ?        ?  
432  13  1  A  12  ASN  A  12  .  ?        ?  
433  13  1  A  13  PRO  A  13  .  ?        ?  
434  13  1  A  14  LYS  A  14  .  ?        ?  
435  13  1  A  15  ASN  A  15  .  ?        ?  
436  13  1  A  16  ASP  A  16  .  ?        ?  
437  13  1  A  17  LYS  A  17  .  ?        ?  
438  13  1  A  18  CYS  A  18  .  ?        ?  
439  13  1  A  19  CYS  A  19  .  ?        ?  
440  13  1  A  20  ALA  A  20  .  ?        ?  
441  13  1  A  21  ASN  A  21  .  ?        ?  
442  13  1  A  22  LEU  A  22  .  ?        2  
443  13  1  A  23  VAL  A  23  .  ?        1  
444  13  1  A  24  CYS  A  24  .  ?        ?  
445  13  1  A  25  SER  A  25  .  ?        ?  
446  13  1  A  26  SER  A  26  .  ?        ?  
447  13  1  A  27  LYS  A  27  .  ?        ?  
448  13  1  A  28  HIS  A  28  .  ?        ?  
449  13  1  A  29  LYS  A  29  .  ?        ?  
450  13  1  A  30  TRP  A  30  .  ?        ?  
451  13  1  A  31  CYS  A  31  .  ?        ?  
452  13  1  A  32  LYS  A  32  .  ?        1  
453  13  1  A  33  GLY  A  33  .  ?        ?  
454  13  1  A  34  LYS  A  34  .  ?        ?  
455  13  1  A  35  LEU  A  35  .  ?        ?  
456  14  1  A   1  GLY  A   1  .  ?        ?  
457  14  1  A   2  ASN  A   2  .  ?        ?  
458  14  1  A   3  ASP  A   3  .  ?        ?  
459  14  1  A   4  CYS  A   4  .  ?        ?  
460  14  1  A   5  LEU  A   5  .  ?        ?  
461  14  1  A   6  GLY  A   6  .  ?        ?  
462  14  1  A   7  PHE  A   7  .  ?        2  
463  14  1  A   8  TRP  A   8  .  ?        ?  
464  14  1  A   9  SER  A   9  .  ?        ?  
465  14  1  A  10  ALA  A  10  .  ?        ?  
466  14  1  A  11  CYS  A  11  .  ?        ?  
467  14  1  A  12  ASN  A  12  .  ?        ?  
468  14  1  A  13  PRO  A  13  .  ?        ?  
469  14  1  A  14  LYS  A  14  .  ?        ?  
470  14  1  A  15  ASN  A  15  .  ?        ?  
471  14  1  A  16  ASP  A  16  .  ?        ?  
472  14  1  A  17  LYS  A  17  .  ?        ?  
473  14  1  A  18  CYS  A  18  .  ?        ?  
474  14  1  A  19  CYS  A  19  .  ?        ?  
475  14  1  A  20  ALA  A  20  .  ?        ?  
476  14  1  A  21  ASN  A  21  .  ?        ?  
477  14  1  A  22  LEU  A  22  .  ?        2  
478  14  1  A  23  VAL  A  23  .  ?        1  
479  14  1  A  24  CYS  A  24  .  ?        ?  
480  14  1  A  25  SER  A  25  .  ?        ?  
481  14  1  A  26  SER  A  26  .  ?        ?  
482  14  1  A  27  LYS  A  27  .  ?        ?  
483  14  1  A  28  HIS  A  28  .  ?        ?  
484  14  1  A  29  LYS  A  29  .  ?        ?  
485  14  1  A  30  TRP  A  30  .  ?        ?  
486  14  1  A  31  CYS  A  31  .  ?        ?  
487  14  1  A  32  LYS  A  32  .  ?        1  
488  14  1  A  33  GLY  A  33  .  ?        ?  
489  14  1  A  34  LYS  A  34  .  ?        ?  
490  14  1  A  35  LEU  A  35  .  ?        ?  
491  15  1  A   1  GLY  A   1  .  ?        ?  
492  15  1  A   2  ASN  A   2  .  ?        ?  
493  15  1  A   3  ASP  A   3  .  ?        ?  
494  15  1  A   4  CYS  A   4  .  ?        ?  
495  15  1  A   5  LEU  A   5  .  ?        ?  
496  15  1  A   6  GLY  A   6  .  ?        ?  
497  15  1  A   7  PHE  A   7  .  ?        2  
498  15  1  A   8  TRP  A   8  .  ?        ?  
499  15  1  A   9  SER  A   9  .  ?        ?  
500  15  1  A  10  ALA  A  10  .  ?        ?  
501  15  1  A  11  CYS  A  11  .  ?        ?  
502  15  1  A  12  ASN  A  12  .  ?        ?  
503  15  1  A  13  PRO  A  13  .  ?        ?  
504  15  1  A  14  LYS  A  14  .  ?        ?  
505  15  1  A  15  ASN  A  15  .  ?        ?  
506  15  1  A  16  ASP  A  16  .  ?        ?  
507  15  1  A  17  LYS  A  17  .  ?        ?  
508  15  1  A  18  CYS  A  18  .  ?        ?  
509  15  1  A  19  CYS  A  19  .  ?        ?  
510  15  1  A  20  ALA  A  20  .  ?        ?  
511  15  1  A  21  ASN  A  21  .  ?        ?  
512  15  1  A  22  LEU  A  22  .  ?        2  
513  15  1  A  23  VAL  A  23  .  ?        1  
514  15  1  A  24  CYS  A  24  .  ?        ?  
515  15  1  A  25  SER  A  25  .  ?        ?  
516  15  1  A  26  SER  A  26  .  ?        ?  
517  15  1  A  27  LYS  A  27  .  ?        ?  
518  15  1  A  28  HIS  A  28  .  ?        ?  
519  15  1  A  29  LYS  A  29  .  ?        ?  
520  15  1  A  30  TRP  A  30  .  ?        ?  
521  15  1  A  31  CYS  A  31  .  ?        ?  
522  15  1  A  32  LYS  A  32  .  ?        1  
523  15  1  A  33  GLY  A  33  .  ?        ?  
524  15  1  A  34  LYS  A  34  .  ?        ?  
525  15  1  A  35  LEU  A  35  .  ?        ?  
526  16  1  A   1  GLY  A   1  .  ?        ?  
527  16  1  A   2  ASN  A   2  .  ?        ?  
528  16  1  A   3  ASP  A   3  .  ?        ?  
529  16  1  A   4  CYS  A   4  .  ?        ?  
530  16  1  A   5  LEU  A   5  .  ?        ?  
531  16  1  A   6  GLY  A   6  .  ?        ?  
532  16  1  A   7  PHE  A   7  .  ?        2  
533  16  1  A   8  TRP  A   8  .  ?        ?  
534  16  1  A   9  SER  A   9  .  ?        ?  
535  16  1  A  10  ALA  A  10  .  ?        ?  
536  16  1  A  11  CYS  A  11  .  ?        ?  
537  16  1  A  12  ASN  A  12  .  ?        ?  
538  16  1  A  13  PRO  A  13  .  ?        ?  
539  16  1  A  14  LYS  A  14  .  ?        ?  
540  16  1  A  15  ASN  A  15  .  ?        ?  
541  16  1  A  16  ASP  A  16  .  ?        ?  
542  16  1  A  17  LYS  A  17  .  ?        ?  
543  16  1  A  18  CYS  A  18  .  ?        ?  
544  16  1  A  19  CYS  A  19  .  ?        ?  
545  16  1  A  20  ALA  A  20  .  ?        ?  
546  16  1  A  21  ASN  A  21  .  ?        ?  
547  16  1  A  22  LEU  A  22  .  ?        2  
548  16  1  A  23  VAL  A  23  .  ?        1  
549  16  1  A  24  CYS  A  24  .  ?        ?  
550  16  1  A  25  SER  A  25  .  ?        ?  
551  16  1  A  26  SER  A  26  .  ?        ?  
552  16  1  A  27  LYS  A  27  .  ?        ?  
553  16  1  A  28  HIS  A  28  .  ?        ?  
554  16  1  A  29  LYS  A  29  .  ?        ?  
555  16  1  A  30  TRP  A  30  .  ?        ?  
556  16  1  A  31  CYS  A  31  .  ?        ?  
557  16  1  A  32  LYS  A  32  .  ?        1  
558  16  1  A  33  GLY  A  33  .  ?        ?  
559  16  1  A  34  LYS  A  34  .  ?        ?  
560  16  1  A  35  LEU  A  35  .  ?        ?  
561  17  1  A   1  GLY  A   1  .  ?        ?  
562  17  1  A   2  ASN  A   2  .  ?        ?  
563  17  1  A   3  ASP  A   3  .  ?        ?  
564  17  1  A   4  CYS  A   4  .  ?        ?  
565  17  1  A   5  LEU  A   5  .  ?        ?  
566  17  1  A   6  GLY  A   6  .  ?        ?  
567  17  1  A   7  PHE  A   7  .  ?        2  
568  17  1  A   8  TRP  A   8  .  ?        ?  
569  17  1  A   9  SER  A   9  .  ?        ?  
570  17  1  A  10  ALA  A  10  .  ?        ?  
571  17  1  A  11  CYS  A  11  .  ?        ?  
572  17  1  A  12  ASN  A  12  .  ?        ?  
573  17  1  A  13  PRO  A  13  .  ?        ?  
574  17  1  A  14  LYS  A  14  .  ?        ?  
575  17  1  A  15  ASN  A  15  .  ?        ?  
576  17  1  A  16  ASP  A  16  .  ?        ?  
577  17  1  A  17  LYS  A  17  .  ?        ?  
578  17  1  A  18  CYS  A  18  .  ?        ?  
579  17  1  A  19  CYS  A  19  .  ?        ?  
580  17  1  A  20  ALA  A  20  .  ?        ?  
581  17  1  A  21  ASN  A  21  .  ?        ?  
582  17  1  A  22  LEU  A  22  .  ?        2  
583  17  1  A  23  VAL  A  23  .  ?        1  
584  17  1  A  24  CYS  A  24  .  ?        ?  
585  17  1  A  25  SER  A  25  .  ?        ?  
586  17  1  A  26  SER  A  26  .  ?        ?  
587  17  1  A  27  LYS  A  27  .  ?        ?  
588  17  1  A  28  HIS  A  28  .  ?        ?  
589  17  1  A  29  LYS  A  29  .  ?        ?  
590  17  1  A  30  TRP  A  30  .  ?        ?  
591  17  1  A  31  CYS  A  31  .  ?        ?  
592  17  1  A  32  LYS  A  32  .  ?        1  
593  17  1  A  33  GLY  A  33  .  ?        ?  
594  17  1  A  34  LYS  A  34  .  ?        ?  
595  17  1  A  35  LEU  A  35  .  ?        ?  
596  18  1  A   1  GLY  A   1  .  ?        ?  
597  18  1  A   2  ASN  A   2  .  ?        ?  
598  18  1  A   3  ASP  A   3  .  ?        ?  
599  18  1  A   4  CYS  A   4  .  ?        ?  
600  18  1  A   5  LEU  A   5  .  ?        ?  
601  18  1  A   6  GLY  A   6  .  ?        ?  
602  18  1  A   7  PHE  A   7  .  ?        2  
603  18  1  A   8  TRP  A   8  .  ?        ?  
604  18  1  A   9  SER  A   9  .  ?        ?  
605  18  1  A  10  ALA  A  10  .  ?        ?  
606  18  1  A  11  CYS  A  11  .  ?        ?  
607  18  1  A  12  ASN  A  12  .  ?        ?  
608  18  1  A  13  PRO  A  13  .  ?        ?  
609  18  1  A  14  LYS  A  14  .  ?        ?  
610  18  1  A  15  ASN  A  15  .  ?        ?  
611  18  1  A  16  ASP  A  16  .  ?        ?  
612  18  1  A  17  LYS  A  17  .  ?        ?  
613  18  1  A  18  CYS  A  18  .  ?        ?  
614  18  1  A  19  CYS  A  19  .  ?        ?  
615  18  1  A  20  ALA  A  20  .  ?        ?  
616  18  1  A  21  ASN  A  21  .  ?        ?  
617  18  1  A  22  LEU  A  22  .  ?        2  
618  18  1  A  23  VAL  A  23  .  ?        1  
619  18  1  A  24  CYS  A  24  .  ?        ?  
620  18  1  A  25  SER  A  25  .  ?        ?  
621  18  1  A  26  SER  A  26  .  ?        ?  
622  18  1  A  27  LYS  A  27  .  ?        ?  
623  18  1  A  28  HIS  A  28  .  ?        ?  
624  18  1  A  29  LYS  A  29  .  ?        ?  
625  18  1  A  30  TRP  A  30  .  ?        ?  
626  18  1  A  31  CYS  A  31  .  ?        ?  
627  18  1  A  32  LYS  A  32  .  ?        1  
628  18  1  A  33  GLY  A  33  .  ?        ?  
629  18  1  A  34  LYS  A  34  .  ?        ?  
630  18  1  A  35  LEU  A  35  .  ?        ?  
631  19  1  A   1  GLY  A   1  .  ?        ?  
632  19  1  A   2  ASN  A   2  .  ?        ?  
633  19  1  A   3  ASP  A   3  .  ?        ?  
634  19  1  A   4  CYS  A   4  .  ?        ?  
635  19  1  A   5  LEU  A   5  .  ?        ?  
636  19  1  A   6  GLY  A   6  .  ?        ?  
637  19  1  A   7  PHE  A   7  .  ?        2  
638  19  1  A   8  TRP  A   8  .  ?        ?  
639  19  1  A   9  SER  A   9  .  ?        ?  
640  19  1  A  10  ALA  A  10  .  ?        ?  
641  19  1  A  11  CYS  A  11  .  ?        ?  
642  19  1  A  12  ASN  A  12  .  ?        ?  
643  19  1  A  13  PRO  A  13  .  ?        ?  
644  19  1  A  14  LYS  A  14  .  ?        ?  
645  19  1  A  15  ASN  A  15  .  ?        ?  
646  19  1  A  16  ASP  A  16  .  ?        ?  
647  19  1  A  17  LYS  A  17  .  ?        ?  
648  19  1  A  18  CYS  A  18  .  ?        ?  
649  19  1  A  19  CYS  A  19  .  ?        ?  
650  19  1  A  20  ALA  A  20  .  ?        ?  
651  19  1  A  21  ASN  A  21  .  ?        ?  
652  19  1  A  22  LEU  A  22  .  ?        2  
653  19  1  A  23  VAL  A  23  .  ?        1  
654  19  1  A  24  CYS  A  24  .  ?        ?  
655  19  1  A  25  SER  A  25  .  ?        ?  
656  19  1  A  26  SER  A  26  .  ?        ?  
657  19  1  A  27  LYS  A  27  .  ?        ?  
658  19  1  A  28  HIS  A  28  .  ?        ?  
659  19  1  A  29  LYS  A  29  .  ?        ?  
660  19  1  A  30  TRP  A  30  .  ?        ?  
661  19  1  A  31  CYS  A  31  .  ?        ?  
662  19  1  A  32  LYS  A  32  .  ?        1  
663  19  1  A  33  GLY  A  33  .  ?        ?  
664  19  1  A  34  LYS  A  34  .  ?        ?  
665  19  1  A  35  LEU  A  35  .  ?        2  
666  20  1  A   1  GLY  A   1  .  ?        ?  
667  20  1  A   2  ASN  A   2  .  ?        ?  
668  20  1  A   3  ASP  A   3  .  ?        ?  
669  20  1  A   4  CYS  A   4  .  ?        ?  
670  20  1  A   5  LEU  A   5  .  ?        ?  
671  20  1  A   6  GLY  A   6  .  ?        ?  
672  20  1  A   7  PHE  A   7  .  ?        2  
673  20  1  A   8  TRP  A   8  .  ?        ?  
674  20  1  A   9  SER  A   9  .  ?        ?  
675  20  1  A  10  ALA  A  10  .  ?        ?  
676  20  1  A  11  CYS  A  11  .  ?        ?  
677  20  1  A  12  ASN  A  12  .  ?        ?  
678  20  1  A  13  PRO  A  13  .  ?        ?  
679  20  1  A  14  LYS  A  14  .  ?        ?  
680  20  1  A  15  ASN  A  15  .  ?        ?  
681  20  1  A  16  ASP  A  16  .  ?        ?  
682  20  1  A  17  LYS  A  17  .  ?        ?  
683  20  1  A  18  CYS  A  18  .  ?        ?  
684  20  1  A  19  CYS  A  19  .  ?        ?  
685  20  1  A  20  ALA  A  20  .  ?        ?  
686  20  1  A  21  ASN  A  21  .  ?        ?  
687  20  1  A  22  LEU  A  22  .  ?        2  
688  20  1  A  23  VAL  A  23  .  ?        1  
689  20  1  A  24  CYS  A  24  .  ?        ?  
690  20  1  A  25  SER  A  25  .  ?        ?  
691  20  1  A  26  SER  A  26  .  ?        ?  
692  20  1  A  27  LYS  A  27  .  ?        ?  
693  20  1  A  28  HIS  A  28  .  ?        ?  
694  20  1  A  29  LYS  A  29  .  ?        ?  
695  20  1  A  30  TRP  A  30  .  ?        ?  
696  20  1  A  31  CYS  A  31  .  ?        ?  
697  20  1  A  32  LYS  A  32  .  ?        1  
698  20  1  A  33  GLY  A  33  .  ?        ?  
699  20  1  A  34  LYS  A  34  .  ?        ?  
700  20  1  A  35  LEU  A  35  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  ?             ?       ?  ?         5   4  0.21   5  0.21  molprobity     ?  False  
  2    2  m120      -60.6   163.9  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
  3    3  p-10     -156.3   115.8  Favored   4   8  0.14  11  0.25  molprobity     1  True   
  4    4  p        -140.5   177.2  Favored   4   6  0.20   8  0.24  molprobity     1  True   
  5    5  mt       -114.2   164.3  Favored  11   8  0.16  11  0.30  molprobity     1  True   
  6    6  ?         -89.3  -151.2  Favored   3   4  0.23   5  0.23  molprobity     1  True   
  7    7  OUTLIER   -87.3   151.1  Favored   9  12  0.35  16  0.22  molprobity     1  True   
  8    8  m95        52.5    29.5  Favored  10  16  0.15  23  0.18  molprobity     1  True   
  9    9  OUTLIER   -97.5   123.5  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 10   10  ?         -51.3   138.9  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 11   11  p        -153.9  -175.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 12   12  t30      -109.2   140.6  Favored   6   8  0.20  12  0.58  molprobity     1  True   
 13   13  Cg_endo   -69.7   -18.2  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 14   14  mttt      -96.8   -20.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 15   15  t30      -138.4    85.7  Favored   6   8  0.22  11  0.29  molprobity     1  True   
 16   16  t70       -77.4   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 17   17  mmtt     -111.6    29.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 18   18  m         -78.8   167.1  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 19   19  OUTLIER  -118.8  -174.4  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 20   20  ?          52.6    29.1  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 21   21  m-80       61.4    31.0  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 22   22  mt        -69.0  -179.3  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
 23   23  p        -135.2   142.0  Favored   9   7  0.15  10  0.46  molprobity     1  True   
 24   24  t         -95.6    97.5  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 25   25  t         -61.0   121.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 26   26  OUTLIER   -68.5   -11.3  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 27   27  OUTLIER   -93.0   -65.4  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
 28   28  OUTLIER   -73.3   -18.2  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 29   29  mtmp?      58.0    59.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 30   30  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
 31   31  m         -84.8    88.9  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 32   32  OUTLIER  -102.9  -179.3  Favored  13   9  0.21  11  0.28  molprobity     1  True   
 33   33  ?         -93.5   120.9  Favored   3   4  0.23   5  0.23  molprobity     1  True   
 34   34  ttmt      -63.6   103.7  Allowed  13   9  0.24  11  0.21  molprobity     1  True   
 35   35  tt            ?       ?  ?        11   7  0.17   8  0.22  molprobity     1  True   
 36   36  ?             ?       ?  ?         5   4  0.24   5  0.22  molprobity     ?  False  
 37   37  p30      -151.4   151.1  Favored   6   8  0.22  11  0.28  molprobity     ?  False  
 38   38  t70      -137.7   108.8  Favored   4   8  0.16  11  0.24  molprobity     1  True   
 39   39  p        -166.1   177.1  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 40   40  mt       -113.9   163.3  Favored  11   8  0.17  11  0.29  molprobity     1  True   
 41   41  ?         -88.7  -151.7  Favored   3   4  0.23   5  0.21  molprobity     1  True   
 42   42  OUTLIER   -87.0   151.0  Favored   9  12  0.33  16  0.22  molprobity     1  True   
 43   43  m95        52.7    29.8  Favored  10  16  0.15  23  0.17  molprobity     1  True   
 44   44  t         -97.8   122.5  Favored   5   6  0.20   8  0.22  molprobity     1  True   
 45   45  ?         -51.2   138.1  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 46   46  p        -152.7  -175.7  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 47   47  t30      -108.0   140.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
 48   48  Cg_endo   -69.8   -18.9  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 49   49  mttm      -96.2   -18.3  Favored  13   9  0.23  11  0.22  molprobity     1  True   
 50   50  t30      -140.9    87.9  Favored   6   8  0.22  11  0.28  molprobity     1  True   
 51   51  t70       -79.3   110.9  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 52   52  mmmp?    -111.8    29.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 53   53  m         -78.1   168.9  Favored   4   6  0.20   8  0.24  molprobity     1  True   
 54   54  OUTLIER  -120.5  -174.9  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 55   55  ?          52.9    28.6  Favored   5   5  0.16   7  0.24  molprobity     1  True   
 56   56  m-80       62.1    30.7  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 57   57  mt        -69.0  -179.8  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
 58   58  p        -134.7   143.3  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 59   59  t         -96.8    97.2  Favored   4   6  0.18   8  0.25  molprobity     1  True   
 60   60  t         -60.7   121.0  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 61   61  OUTLIER   -68.5   -11.3  Favored   5   6  0.20   8  0.24  molprobity     1  True   
 62   62  mmmt      -93.1   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
 63   63  m-70      -73.4   -18.2  Favored   7  11  0.14  15  0.20  molprobity     1  True   
 64   64  mttt       58.0    59.8  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 65   65  OUTLIER  -160.1   169.2  Favored  10  16  0.15  23  0.17  molprobity     1  True   
 66   66  m         -84.8    88.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 67   67  OUTLIER  -103.0  -179.4  Favored  13   9  0.21  11  0.28  molprobity     1  True   
 68   68  ?         -93.4   120.3  Favored   3   4  0.23   5  0.22  molprobity     1  True   
 69   69  ttpt      -68.4   114.7  Favored  13   9  0.24  11  0.21  molprobity     1  True   
 70   70  mt            ?       ?  ?        11   7  0.16   8  0.22  molprobity     1  True   
 71   71  ?             ?       ?  ?         5   4  0.26   5  0.22  molprobity     ?  False  
 72   72  m120     -130.5   156.8  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
 73   73  t0       -153.1   116.8  Favored   4   8  0.17  11  0.24  molprobity     1  True   
 74   74  p        -157.5   177.6  Favored   4   6  0.20   8  0.25  molprobity     1  True   
 75   75  mt       -115.1   160.8  Favored  11   8  0.17  11  0.30  molprobity     1  True   
 76   76  ?         -85.0  -145.9  Favored   3   4  0.21   5  0.22  molprobity     1  True   
 77   77  OUTLIER   -93.1   151.7  Favored   9  12  0.34  16  0.23  molprobity     1  True   
 78   78  m95        53.5    28.0  Favored  10  16  0.14  23  0.18  molprobity     1  True   
 79   79  OUTLIER   -97.0   122.2  Favored   5   6  0.19   8  0.23  molprobity     1  True   
 80   80  ?         -51.2   138.2  Favored   5   5  0.15   7  0.24  molprobity     1  True   
 81   81  p        -152.2  -175.4  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 82   82  t30      -109.1   140.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
 83   83  Cg_endo   -69.8   -19.3  Favored   7   8  0.13  11  0.27  molprobity     1  True   
 84   84  mtmt      -95.3   -19.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 85   85  t-20     -140.1    85.5  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 86   86  t70       -76.6   111.0  Favored   4   8  0.15  11  0.25  molprobity     1  True   
 87   87  mmmm     -111.2    27.6  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 88   88  m         -76.2   167.3  Favored   4   6  0.19   8  0.25  molprobity     1  True   
 89   89  OUTLIER  -120.8  -175.6  Favored   4   6  0.18   8  0.24  molprobity     1  True   
 90   90  ?          53.2    28.8  Favored   5   5  0.13   7  0.25  molprobity     1  True   
 91   91  m-20       63.1    30.7  Favored   6   8  0.23  11  0.28  molprobity     1  True   
 92   92  mt        -69.0   178.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 93   93  p        -133.0   141.1  Favored   9   7  0.15  10  0.45  molprobity     1  True   
 94   94  t         -95.0    95.8  Favored   4   6  0.18   8  0.26  molprobity     1  True   
 95   95  t         -60.1   121.1  Favored   5   6  0.19   8  0.24  molprobity     1  True   
 96   96  t         -68.5   -11.5  Favored   5   6  0.21   8  0.23  molprobity     1  True   
 97   97  OUTLIER   -93.1   -65.3  Allowed  13   9  0.22  11  0.20  molprobity     1  True   
 98   98  OUTLIER   -73.2   -18.1  Favored   7  11  0.16  15  0.20  molprobity     1  True   
 99   99  mtmm       57.6    59.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
100  100  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
101  101  m         -84.9    89.1  Favored   4   6  0.19   8  0.25  molprobity     1  True   
102  102  OUTLIER  -103.0  -176.3  Favored  13   9  0.22  11  0.28  molprobity     1  True   
103  103  ?         -94.0   124.0  Favored   3   4  0.23   5  0.21  molprobity     1  True   
104  104  ttmm      -65.4   109.4  Favored  13   9  0.23  11  0.21  molprobity     1  True   
105  105  OUTLIER       ?       ?  ?        11   7  0.16   8  0.22  molprobity     1  True   
106  106  ?             ?       ?  ?         5   4  0.22   5  0.23  molprobity     ?  False  
107  107  m-20     -128.0   139.4  Favored   6   8  0.23  11  0.28  molprobity     ?  False  
108  108  m-20     -144.8   108.5  Favored   4   8  0.16  11  0.24  molprobity     1  True   
109  109  p        -160.6   177.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
110  110  mt       -115.2   161.1  Favored  11   8  0.16  11  0.30  molprobity     1  True   
111  111  ?         -85.0  -146.2  Favored   3   4  0.23   5  0.21  molprobity     1  True   
112  112  OUTLIER   -92.8   151.7  Favored   9  12  0.35  16  0.23  molprobity     1  True   
113  113  m95        53.5    28.1  Favored  10  16  0.14  23  0.18  molprobity     1  True   
114  114  OUTLIER   -96.8   122.1  Favored   5   6  0.18   8  0.23  molprobity     1  True   
115  115  ?         -51.2   137.8  Favored   5   5  0.15   7  0.24  molprobity     1  True   
116  116  p        -151.7  -175.5  Favored   4   6  0.19   8  0.24  molprobity     1  True   
117  117  t30      -108.7   140.4  Favored   6   8  0.21  12  0.58  molprobity     1  True   
118  118  Cg_endo   -69.8   -18.5  Favored   7   8  0.16  11  0.28  molprobity     1  True   
119  119  mtmt      -96.2   -19.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
120  120  t-20     -140.0    85.6  Favored   6   8  0.22  11  0.29  molprobity     1  True   
121  121  t70       -76.6   110.9  Favored   4   8  0.16  11  0.25  molprobity     1  True   
122  122  mmtt     -111.2    27.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
123  123  m         -75.8   166.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
124  124  OUTLIER  -120.6  -175.6  Favored   4   6  0.18   8  0.25  molprobity     1  True   
125  125  ?          53.1    29.0  Favored   5   5  0.14   7  0.24  molprobity     1  True   
126  126  m-20       63.0    30.7  Favored   6   8  0.24  11  0.30  molprobity     1  True   
127  127  mt        -68.9   177.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
128  128  p        -132.6   140.6  Favored   9   7  0.16  10  0.45  molprobity     1  True   
129  129  t         -94.5    95.8  Favored   4   6  0.18   8  0.25  molprobity     1  True   
130  130  t         -60.0   121.0  Favored   5   6  0.18   8  0.23  molprobity     1  True   
131  131  OUTLIER   -68.5   -11.6  Favored   5   6  0.20   8  0.24  molprobity     1  True   
132  132  OUTLIER   -93.2   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
133  133  m-70      -73.0   -18.2  Favored   7  11  0.15  15  0.20  molprobity     1  True   
134  134  mtmt       57.8    59.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
135  135  OUTLIER  -160.2   169.2  Favored  10  16  0.14  23  0.18  molprobity     1  True   
136  136  m         -84.9    89.2  Favored   4   6  0.19   8  0.24  molprobity     1  True   
137  137  OUTLIER  -103.0  -176.3  Favored  13   9  0.20  11  0.27  molprobity     1  True   
138  138  ?         -94.0   124.4  Favored   3   4  0.22   5  0.23  molprobity     1  True   
139  139  ttpp      -67.7   108.3  Favored  13   9  0.23  11  0.20  molprobity     1  True   
140  140  tp            ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
141  141  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
142  142  m120      -75.6   167.0  Favored   6   8  0.23  11  0.28  molprobity     ?  False  
143  143  t70      -163.2   113.0  Allowed   4   8  0.14  11  0.25  molprobity     1  True   
144  144  p        -161.1   177.4  Favored   4   6  0.19   8  0.25  molprobity     1  True   
145  145  mt       -114.8   162.2  Favored  11   8  0.17  11  0.30  molprobity     1  True   
146  146  ?         -85.9  -146.2  Favored   3   4  0.24   5  0.21  molprobity     1  True   
147  147  OUTLIER   -92.7   151.8  Favored   9  12  0.32  16  0.23  molprobity     1  True   
148  148  m95        53.3    28.2  Favored  10  16  0.15  23  0.17  molprobity     1  True   
149  149  OUTLIER   -96.7   122.2  Favored   5   6  0.20   8  0.24  molprobity     1  True   
150  150  ?         -51.5   136.5  Favored   5   5  0.15   7  0.24  molprobity     1  True   
151  151  p        -150.1  -175.4  Favored   4   6  0.17   8  0.24  molprobity     1  True   
152  152  t30      -108.7   140.3  Favored   6   8  0.20  12  0.57  molprobity     1  True   
153  153  Cg_endo   -69.8   -18.9  Favored   7   8  0.13  11  0.28  molprobity     1  True   
154  154  mttt      -95.3   -19.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
155  155  t-20     -140.9    87.5  Favored   6   8  0.21  11  0.29  molprobity     1  True   
156  156  t70       -77.7   110.9  Favored   4   8  0.17  11  0.25  molprobity     1  True   
157  157  mttt     -111.3    28.5  Favored  13   9  0.23  11  0.21  molprobity     1  True   
158  158  m         -77.3   168.2  Favored   4   6  0.18   8  0.24  molprobity     1  True   
159  159  OUTLIER  -121.6  -175.6  Favored   4   6  0.18   8  0.25  molprobity     1  True   
160  160  ?          53.1    28.7  Favored   5   5  0.17   7  0.23  molprobity     1  True   
161  161  m-80       63.2    30.9  Favored   6   8  0.22  11  0.29  molprobity     1  True   
162  162  mt        -69.0   178.2  Favored  11   8  0.19  11  0.24  molprobity     1  True   
163  163  p        -133.2   141.3  Favored   9   7  0.16  10  0.46  molprobity     1  True   
164  164  t         -95.3    95.5  Favored   4   6  0.18   8  0.25  molprobity     1  True   
165  165  t         -59.9   121.1  Favored   5   6  0.19   8  0.24  molprobity     1  True   
166  166  OUTLIER   -68.5   -11.5  Favored   5   6  0.19   8  0.24  molprobity     1  True   
167  167  tppp?     -93.1   -65.3  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
168  168  m-70      -73.2   -18.1  Favored   7  11  0.15  15  0.21  molprobity     1  True   
169  169  mttm       57.6    59.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
170  170  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.17  molprobity     1  True   
171  171  m         -84.9    89.0  Favored   4   6  0.18   8  0.25  molprobity     1  True   
172  172  OUTLIER  -102.9  -176.3  Favored  13   9  0.22  11  0.28  molprobity     1  True   
173  173  ?         -94.2   124.0  Favored   3   4  0.22   5  0.20  molprobity     1  True   
174  174  OUTLIER   -56.2   104.4  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
175  175  mt            ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
176  176  ?             ?       ?  ?         5   4  0.24   5  0.22  molprobity     ?  False  
177  177  m-20     -106.0   169.2  Favored   6   8  0.24  11  0.29  molprobity     ?  False  
178  178  t0       -162.6   106.9  Allowed   4   8  0.17  11  0.24  molprobity     1  True   
179  179  p        -164.5   177.3  Favored   4   6  0.19   8  0.25  molprobity     1  True   
180  180  mt       -114.0   163.8  Favored  11   8  0.16  11  0.29  molprobity     1  True   
181  181  ?         -89.2  -151.8  Favored   3   4  0.23   5  0.23  molprobity     1  True   
182  182  OUTLIER   -86.7   151.0  Favored   9  12  0.34  16  0.22  molprobity     1  True   
183  183  m95        52.7    29.8  Favored  10  16  0.15  23  0.17  molprobity     1  True   
184  184  t         -97.6   122.4  Favored   5   6  0.19   8  0.24  molprobity     1  True   
185  185  ?         -51.1   137.9  Favored   5   5  0.16   7  0.23  molprobity     1  True   
186  186  p        -152.6  -175.5  Favored   4   6  0.19   8  0.24  molprobity     1  True   
187  187  t30      -108.3   140.5  Favored   6   8  0.19  12  0.58  molprobity     1  True   
188  188  Cg_endo   -69.8   -18.0  Favored   7   8  0.16  11  0.27  molprobity     1  True   
189  189  mttm      -97.0   -19.2  Favored  13   9  0.22  11  0.22  molprobity     1  True   
190  190  t-20     -139.9    86.8  Favored   6   8  0.23  11  0.29  molprobity     1  True   
191  191  t70       -78.3   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
192  192  mmmm     -111.7    28.8  Favored  13   9  0.24  11  0.20  molprobity     1  True   
193  193  m         -77.5   167.5  Favored   4   6  0.19   8  0.24  molprobity     1  True   
194  194  OUTLIER  -119.5  -174.7  Favored   4   6  0.19   8  0.23  molprobity     1  True   
195  195  ?          53.0    28.6  Favored   5   5  0.14   7  0.24  molprobity     1  True   
196  196  m-80       62.2    30.5  Favored   6   8  0.22  11  0.29  molprobity     1  True   
197  197  mt        -69.0  -179.8  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
198  198  p        -134.4   143.3  Favored   9   7  0.16  10  0.46  molprobity     1  True   
199  199  t         -96.7    97.1  Favored   4   6  0.19   8  0.24  molprobity     1  True   
200  200  t         -60.6   120.9  Favored   5   6  0.17   8  0.23  molprobity     1  True   
201  201  OUTLIER   -68.5   -11.3  Favored   5   6  0.20   8  0.23  molprobity     1  True   
202  202  mmpt?     -93.1   -65.4  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
203  203  OUTLIER   -73.3   -18.1  Favored   7  11  0.17  15  0.20  molprobity     1  True   
204  204  mttp       57.9    59.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
205  205  OUTLIER  -160.1   169.2  Favored  10  16  0.16  23  0.18  molprobity     1  True   
206  206  m         -84.9    88.9  Favored   4   6  0.20   8  0.25  molprobity     1  True   
207  207  OUTLIER  -102.9  -179.2  Favored  13   9  0.21  11  0.27  molprobity     1  True   
208  208  ?         -93.0   121.3  Favored   3   4  0.24   5  0.21  molprobity     1  True   
209  209  ttpt      -68.1   108.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
210  210  mm?           ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
211  211  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
212  212  m-20      -84.7   148.4  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
213  213  m-20     -152.5   108.7  Favored   4   8  0.17  11  0.24  molprobity     1  True   
214  214  p        -153.9   177.4  Favored   4   6  0.19   8  0.24  molprobity     1  True   
215  215  mt       -114.3   163.5  Favored  11   8  0.17  11  0.30  molprobity     1  True   
216  216  ?         -89.0  -151.7  Favored   3   4  0.23   5  0.22  molprobity     1  True   
217  217  OUTLIER   -86.7   151.1  Favored   9  12  0.34  16  0.23  molprobity     1  True   
218  218  m95        52.5    30.6  Favored  10  16  0.14  23  0.18  molprobity     1  True   
219  219  t         -98.4   122.6  Favored   5   6  0.19   8  0.24  molprobity     1  True   
220  220  ?         -51.3   137.4  Favored   5   5  0.16   7  0.24  molprobity     1  True   
221  221  p        -152.3  -175.7  Favored   4   6  0.19   8  0.25  molprobity     1  True   
222  222  t30      -108.4   140.3  Favored   6   8  0.20  12  0.58  molprobity     1  True   
223  223  Cg_endo   -69.7   -17.6  Favored   7   8  0.14  11  0.28  molprobity     1  True   
224  224  mttm      -97.2   -19.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
225  225  t30      -140.0    86.7  Favored   6   8  0.23  11  0.29  molprobity     1  True   
226  226  t70       -78.1   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
227  227  mmmt     -111.7    29.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
228  228  m         -77.8   167.5  Favored   4   6  0.20   8  0.25  molprobity     1  True   
229  229  OUTLIER  -119.4  -174.7  Favored   4   6  0.18   8  0.24  molprobity     1  True   
230  230  ?          53.0    28.5  Favored   5   5  0.13   7  0.24  molprobity     1  True   
231  231  m-80       62.2    30.6  Favored   6   8  0.22  11  0.29  molprobity     1  True   
232  232  mt        -68.9  -179.6  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
233  233  p        -134.4   143.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
234  234  t         -96.8    96.7  Favored   4   6  0.19   8  0.23  molprobity     1  True   
235  235  t         -60.2   120.9  Favored   5   6  0.18   8  0.24  molprobity     1  True   
236  236  OUTLIER   -68.5   -11.4  Favored   5   6  0.21   8  0.24  molprobity     1  True   
237  237  mmtt      -93.2   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
238  238  OUTLIER   -73.2   -18.1  Favored   7  11  0.15  15  0.20  molprobity     1  True   
239  239  mttt       57.9    59.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
240  240  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
241  241  m         -85.0    88.8  Favored   4   6  0.20   8  0.26  molprobity     1  True   
242  242  OUTLIER  -102.9  -179.2  Favored  13   9  0.22  11  0.27  molprobity     1  True   
243  243  ?         -93.0   121.7  Favored   3   4  0.23   5  0.22  molprobity     1  True   
244  244  ttmt      -65.0   103.2  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
245  245  pt?           ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
246  246  ?             ?       ?  ?         5   4  0.24   5  0.22  molprobity     ?  False  
247  247  t30       -64.9   168.5  Favored   6   8  0.22  11  0.30  molprobity     ?  False  
248  248  t70      -129.1   104.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
249  249  p        -157.1   177.3  Favored   4   6  0.19   8  0.24  molprobity     1  True   
250  250  mt       -114.3   162.8  Favored  11   8  0.17  11  0.30  molprobity     1  True   
251  251  ?         -88.4  -151.5  Favored   3   4  0.25   5  0.21  molprobity     1  True   
252  252  OUTLIER   -86.7   150.7  Favored   9  12  0.34  16  0.21  molprobity     1  True   
253  253  m95        52.3    33.1  Favored  10  16  0.14  23  0.18  molprobity     1  True   
254  254  t        -101.0   123.1  Favored   5   6  0.19   8  0.24  molprobity     1  True   
255  255  ?         -51.4   136.2  Favored   5   5  0.16   7  0.24  molprobity     1  True   
256  256  p        -151.6  -175.4  Favored   4   6  0.17   8  0.25  molprobity     1  True   
257  257  t30      -108.9   140.6  Favored   6   8  0.20  12  0.58  molprobity     1  True   
258  258  Cg_endo   -69.8   -19.6  Favored   7   8  0.14  11  0.27  molprobity     1  True   
259  259  mttt      -95.3   -18.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
260  260  t30      -141.0    86.3  Favored   6   8  0.23  11  0.29  molprobity     1  True   
261  261  t70       -77.7   111.0  Favored   4   8  0.17  11  0.24  molprobity     1  True   
262  262  mmmm     -111.5    29.0  Favored  13   9  0.22  11  0.22  molprobity     1  True   
263  263  m         -77.8   168.6  Favored   4   6  0.19   8  0.25  molprobity     1  True   
264  264  OUTLIER  -120.6  -174.9  Favored   4   6  0.17   8  0.24  molprobity     1  True   
265  265  ?          53.1    28.5  Favored   5   5  0.16   7  0.24  molprobity     1  True   
266  266  m-20       62.4    30.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
267  267  mt        -69.0   180.0  Allowed  11   8  0.19  11  0.25  molprobity     1  True   
268  268  p        -134.1   143.6  Favored   9   7  0.15  10  0.46  molprobity     1  True   
269  269  t         -97.2    97.2  Favored   4   6  0.19   8  0.25  molprobity     1  True   
270  270  t         -60.8   121.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
271  271  OUTLIER   -68.5   -11.4  Favored   5   6  0.19   8  0.24  molprobity     1  True   
272  272  mmmm      -93.1   -65.3  Allowed  13   9  0.22  11  0.20  molprobity     1  True   
273  273  OUTLIER   -73.2   -18.2  Favored   7  11  0.16  15  0.20  molprobity     1  True   
274  274  mttt       57.9    59.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
275  275  OUTLIER  -160.1   169.2  Favored  10  16  0.15  23  0.19  molprobity     1  True   
276  276  m         -84.9    88.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
277  277  OUTLIER  -102.9  -179.1  Favored  13   9  0.20  11  0.28  molprobity     1  True   
278  278  ?         -92.9   122.1  Favored   3   4  0.24   5  0.21  molprobity     1  True   
279  279  ttpt      -65.4   105.1  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
280  280  tp            ?       ?  ?        11   7  0.16   8  0.22  molprobity     1  True   
281  281  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
282  282  p30      -156.9   150.3  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
283  283  m-20     -148.1   112.2  Favored   4   8  0.17  11  0.25  molprobity     1  True   
284  284  p        -153.6   177.4  Favored   4   6  0.20   8  0.24  molprobity     1  True   
285  285  mt       -114.0   162.9  Favored  11   8  0.16  11  0.30  molprobity     1  True   
286  286  ?         -88.9  -151.6  Favored   3   4  0.23   5  0.24  molprobity     1  True   
287  287  OUTLIER   -86.5   150.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
288  288  m95        52.5    32.0  Favored  10  16  0.15  23  0.19  molprobity     1  True   
289  289  t         -99.4   122.0  Favored   5   6  0.19   8  0.22  molprobity     1  True   
290  290  ?         -51.6   134.7  Favored   5   5  0.17   7  0.24  molprobity     1  True   
291  291  p        -149.2  -175.3  Favored   4   6  0.17   8  0.25  molprobity     1  True   
292  292  t30      -108.3   140.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
293  293  Cg_endo   -69.7   -15.9  Favored   7   8  0.14  11  0.28  molprobity     1  True   
294  294  mtmm      -99.8   -20.2  Favored  13   9  0.23  11  0.21  molprobity     1  True   
295  295  t-20     -138.0    84.8  Favored   6   8  0.21  11  0.29  molprobity     1  True   
296  296  OUTLIER   -77.6   111.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
297  297  mtmm     -112.0    28.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
298  298  m         -76.4   164.8  Favored   4   6  0.18   8  0.25  molprobity     1  True   
299  299  OUTLIER  -116.9  -174.2  Favored   4   6  0.19   8  0.24  molprobity     1  True   
300  300  ?          52.6    29.3  Favored   5   5  0.15   7  0.24  molprobity     1  True   
301  301  m-80       61.0    30.8  Favored   6   8  0.24  11  0.29  molprobity     1  True   
302  302  mt        -69.0  -179.4  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
303  303  p        -134.3   143.5  Favored   9   7  0.15  10  0.45  molprobity     1  True   
304  304  t         -97.0    97.0  Favored   4   6  0.19   8  0.25  molprobity     1  True   
305  305  t         -60.5   120.8  Favored   5   6  0.18   8  0.24  molprobity     1  True   
306  306  OUTLIER   -68.5   -11.3  Favored   5   6  0.22   8  0.23  molprobity     1  True   
307  307  tptt      -93.2   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
308  308  OUTLIER   -73.4   -18.1  Favored   7  11  0.14  15  0.20  molprobity     1  True   
309  309  mtmt       57.9    60.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
310  310  OUTLIER  -160.2   169.2  Favored  10  16  0.16  23  0.18  molprobity     1  True   
311  311  m         -84.9    88.7  Favored   4   6  0.21   8  0.23  molprobity     1  True   
312  312  OUTLIER  -102.9  -179.1  Favored  13   9  0.21  11  0.27  molprobity     1  True   
313  313  ?         -93.0   122.0  Favored   3   4  0.23   5  0.21  molprobity     1  True   
314  314  ttpt      -68.0   109.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
315  315  pt?           ?       ?  ?        11   7  0.16   8  0.22  molprobity     1  True   
316  316  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
317  317  m-20     -123.5   147.8  Favored   6   8  0.22  11  0.28  molprobity     ?  False  
318  318  t0       -145.7   113.8  Favored   4   8  0.15  11  0.25  molprobity     1  True   
319  319  p        -141.7   177.8  Favored   4   6  0.17   8  0.24  molprobity     1  True   
320  320  mt       -114.9   163.0  Favored  11   8  0.16  11  0.30  molprobity     1  True   
321  321  ?         -88.7  -151.5  Favored   3   4  0.23   5  0.20  molprobity     1  True   
322  322  OUTLIER   -86.4   151.0  Favored   9  12  0.33  16  0.22  molprobity     1  True   
323  323  m95        52.0    32.7  Favored  10  16  0.14  23  0.18  molprobity     1  True   
324  324  t        -100.5   123.4  Favored   5   6  0.17   8  0.24  molprobity     1  True   
325  325  ?         -51.4   136.6  Favored   5   5  0.15   7  0.24  molprobity     1  True   
326  326  p        -152.0  -175.4  Favored   4   6  0.18   8  0.25  molprobity     1  True   
327  327  t30      -109.2   140.5  Favored   6   8  0.20  12  0.57  molprobity     1  True   
328  328  Cg_endo   -69.8   -19.3  Favored   7   8  0.13  11  0.28  molprobity     1  True   
329  329  mttt      -95.2   -19.5  Favored  13   9  0.23  11  0.21  molprobity     1  True   
330  330  t-20     -140.3    86.7  Favored   6   8  0.23  11  0.29  molprobity     1  True   
331  331  t70       -77.3   110.9  Favored   4   8  0.16  11  0.24  molprobity     1  True   
332  332  mttm     -111.2    28.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
333  333  m         -77.7   167.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
334  334  OUTLIER  -120.1  -174.7  Favored   4   6  0.19   8  0.24  molprobity     1  True   
335  335  ?          53.0    28.4  Favored   5   5  0.14   7  0.24  molprobity     1  True   
336  336  m-20       62.3    30.3  Favored   6   8  0.24  11  0.28  molprobity     1  True   
337  337  mt        -69.0  -179.4  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
338  338  p        -134.4   143.4  Favored   9   7  0.14  10  0.45  molprobity     1  True   
339  339  t         -97.0    97.1  Favored   4   6  0.19   8  0.24  molprobity     1  True   
340  340  t         -60.5   120.8  Favored   5   6  0.18   8  0.23  molprobity     1  True   
341  341  OUTLIER   -68.5   -11.4  Favored   5   6  0.20   8  0.24  molprobity     1  True   
342  342  mmtt      -93.1   -65.3  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
343  343  OUTLIER   -73.3   -18.1  Favored   7  11  0.15  15  0.21  molprobity     1  True   
344  344  mtmm       57.9    60.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
345  345  OUTLIER  -160.1   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
346  346  m         -85.0    88.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
347  347  OUTLIER  -102.9  -179.1  Favored  13   9  0.22  11  0.27  molprobity     1  True   
348  348  ?         -92.8   122.9  Favored   3   4  0.23   5  0.20  molprobity     1  True   
349  349  ttmm      -60.5   101.8  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
350  350  pt?           ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
351  351  ?             ?       ?  ?         5   4  0.22   5  0.22  molprobity     ?  False  
352  352  m120     -129.0   135.0  Favored   6   8  0.22  11  0.30  molprobity     ?  False  
353  353  m-20     -135.8   108.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
354  354  p        -163.8   177.9  Favored   4   6  0.18   8  0.24  molprobity     1  True   
355  355  mt       -114.7   163.9  Favored  11   8  0.16  11  0.30  molprobity     1  True   
356  356  ?         -89.2  -151.5  Favored   3   4  0.23   5  0.23  molprobity     1  True   
357  357  OUTLIER   -86.8   150.9  Favored   9  12  0.35  16  0.23  molprobity     1  True   
358  358  m95        52.5    31.5  Favored  10  16  0.15  23  0.17  molprobity     1  True   
359  359  t         -99.3   122.5  Favored   5   6  0.20   8  0.23  molprobity     1  True   
360  360  ?         -51.3   136.7  Favored   5   5  0.16   7  0.24  molprobity     1  True   
361  361  p        -151.7  -175.5  Favored   4   6  0.19   8  0.25  molprobity     1  True   
362  362  t30      -108.5   140.4  Favored   6   8  0.20  12  0.58  molprobity     1  True   
363  363  Cg_endo   -69.8   -18.8  Favored   7   8  0.14  11  0.27  molprobity     1  True   
364  364  mttp      -96.0   -19.4  Favored  13   9  0.23  11  0.21  molprobity     1  True   
365  365  t30      -139.8    86.5  Favored   6   8  0.23  11  0.29  molprobity     1  True   
366  366  t70       -77.5   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
367  367  mtmt     -111.5    28.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
368  368  m         -77.8   168.4  Favored   4   6  0.20   8  0.24  molprobity     1  True   
369  369  OUTLIER  -120.9  -174.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
370  370  ?          53.0    28.5  Favored   5   5  0.12   7  0.24  molprobity     1  True   
371  371  m-80       62.5    30.2  Favored   6   8  0.22  11  0.30  molprobity     1  True   
372  372  mt        -69.0   180.0  Allowed  11   8  0.18  11  0.25  molprobity     1  True   
373  373  p        -134.1   143.5  Favored   9   7  0.15  10  0.45  molprobity     1  True   
374  374  t         -96.9    97.0  Favored   4   6  0.20   8  0.24  molprobity     1  True   
375  375  t         -60.4   120.9  Favored   5   6  0.21   8  0.22  molprobity     1  True   
376  376  t         -68.5   -11.4  Favored   5   6  0.19   8  0.23  molprobity     1  True   
377  377  mtmm      -93.2   -65.3  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
378  378  m-70      -73.2   -18.1  Favored   7  11  0.14  15  0.21  molprobity     1  True   
379  379  mttp       57.9    59.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
380  380  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
381  381  m         -84.8    88.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
382  382  OUTLIER  -102.9  -179.3  Favored  13   9  0.21  11  0.28  molprobity     1  True   
383  383  ?         -92.7   122.7  Favored   3   4  0.23   5  0.23  molprobity     1  True   
384  384  ttmt      -63.7   103.2  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
385  385  pt?           ?       ?  ?        11   7  0.17   8  0.22  molprobity     1  True   
386  386  ?             ?       ?  ?         5   4  0.26   5  0.22  molprobity     ?  False  
387  387  p30      -126.6   152.5  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
388  388  t0       -158.5   108.8  Favored   4   8  0.15  11  0.25  molprobity     1  True   
389  389  p        -161.0   177.6  Favored   4   6  0.19   8  0.24  molprobity     1  True   
390  390  mt       -114.7   164.2  Favored  11   8  0.17  11  0.30  molprobity     1  True   
391  391  ?         -89.3  -151.9  Favored   3   4  0.21   5  0.21  molprobity     1  True   
392  392  OUTLIER   -86.2   150.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
393  393  m95        52.0    33.8  Favored  10  16  0.14  23  0.17  molprobity     1  True   
394  394  t        -101.5   122.7  Favored   5   6  0.19   8  0.24  molprobity     1  True   
395  395  ?         -51.3   135.7  Favored   5   5  0.16   7  0.23  molprobity     1  True   
396  396  p        -151.1  -175.5  Favored   4   6  0.19   8  0.24  molprobity     1  True   
397  397  t30      -108.7   140.6  Favored   6   8  0.20  12  0.58  molprobity     1  True   
398  398  Cg_endo   -69.8   -20.6  Favored   7   8  0.15  11  0.28  molprobity     1  True   
399  399  mttm      -94.0   -19.1  Favored  13   9  0.21  11  0.21  molprobity     1  True   
400  400  t30      -140.5    86.4  Favored   6   8  0.23  11  0.29  molprobity     1  True   
401  401  t70       -77.3   111.0  Favored   4   8  0.16  11  0.25  molprobity     1  True   
402  402  OUTLIER  -111.2    29.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
403  403  m         -78.2   168.1  Favored   4   6  0.19   8  0.24  molprobity     1  True   
404  404  OUTLIER  -120.7  -174.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
405  405  ?          53.1    28.6  Favored   5   5  0.14   7  0.24  molprobity     1  True   
406  406  m-80       62.4    30.1  Favored   6   8  0.23  11  0.29  molprobity     1  True   
407  407  mt        -69.0   179.9  Allowed  11   8  0.20  11  0.24  molprobity     1  True   
408  408  p        -134.1   143.6  Favored   9   7  0.14  10  0.45  molprobity     1  True   
409  409  t         -97.0    97.2  Favored   4   6  0.20   8  0.24  molprobity     1  True   
410  410  t         -60.8   120.9  Favored   5   6  0.16   8  0.24  molprobity     1  True   
411  411  OUTLIER   -68.5   -11.4  Favored   5   6  0.21   8  0.23  molprobity     1  True   
412  412  mmtt      -93.1   -65.4  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
413  413  m-70      -73.2   -18.2  Favored   7  11  0.15  15  0.21  molprobity     1  True   
414  414  mttp       57.9    59.8  Favored  13   9  0.23  11  0.20  molprobity     1  True   
415  415  OUTLIER  -160.1   169.2  Favored  10  16  0.15  23  0.17  molprobity     1  True   
416  416  m         -84.8    88.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
417  417  OUTLIER  -102.9  -179.3  Favored  13   9  0.21  11  0.28  molprobity     1  True   
418  418  ?         -92.4   123.8  Favored   3   4  0.22   5  0.21  molprobity     1  True   
419  419  ttmm      -61.8   113.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
420  420  mt            ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
421  421  ?             ?       ?  ?         5   4  0.27   5  0.23  molprobity     ?  False  
422  422  p30      -131.8   175.2  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
423  423  m-20     -134.9   107.4  Favored   4   8  0.16  11  0.24  molprobity     1  True   
424  424  p        -163.2   176.7  Favored   4   6  0.19   8  0.25  molprobity     1  True   
425  425  mt       -113.3   164.7  Favored  11   8  0.17  11  0.30  molprobity     1  True   
426  426  ?         -90.0  -152.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
427  427  OUTLIER   -86.0   150.9  Favored   9  12  0.34  16  0.23  molprobity     1  True   
428  428  m95        52.2    32.3  Favored  10  16  0.15  23  0.16  molprobity     1  True   
429  429  t        -100.3   123.1  Favored   5   6  0.17   8  0.23  molprobity     1  True   
430  430  ?         -51.2   137.2  Favored   5   5  0.17   7  0.24  molprobity     1  True   
431  431  p        -152.5  -175.3  Favored   4   6  0.17   8  0.25  molprobity     1  True   
432  432  t30      -109.3   140.5  Favored   6   8  0.19  12  0.57  molprobity     1  True   
433  433  Cg_endo   -69.8   -19.5  Favored   7   8  0.15  11  0.27  molprobity     1  True   
434  434  mttm      -95.1   -19.0  Favored  13   9  0.22  11  0.20  molprobity     1  True   
435  435  t-20     -140.6    86.5  Favored   6   8  0.23  11  0.29  molprobity     1  True   
436  436  t70       -77.6   111.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
437  437  mttm     -111.1    28.2  Favored  13   9  0.23  11  0.21  molprobity     1  True   
438  438  m         -77.3   168.2  Favored   4   6  0.18   8  0.24  molprobity     1  True   
439  439  OUTLIER  -120.7  -174.8  Favored   4   6  0.18   8  0.24  molprobity     1  True   
440  440  ?          53.2    28.3  Favored   5   5  0.15   7  0.24  molprobity     1  True   
441  441  m-80       62.7    30.3  Favored   6   8  0.23  11  0.29  molprobity     1  True   
442  442  mt        -69.0  -179.9  Allowed  11   8  0.19  11  0.25  molprobity     1  True   
443  443  p        -134.4   143.3  Favored   9   7  0.17  10  0.45  molprobity     1  True   
444  444  t         -96.8    97.2  Favored   4   6  0.19   8  0.25  molprobity     1  True   
445  445  t         -60.7   120.8  Favored   5   6  0.17   8  0.23  molprobity     1  True   
446  446  OUTLIER   -68.4   -11.4  Favored   5   6  0.19   8  0.23  molprobity     1  True   
447  447  tptm      -93.1   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
448  448  m-70      -73.3   -18.2  Favored   7  11  0.15  15  0.20  molprobity     1  True   
449  449  mtmt       58.0    59.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
450  450  OUTLIER  -160.1   169.3  Favored  10  16  0.15  23  0.18  molprobity     1  True   
451  451  m         -84.9    88.9  Favored   4   6  0.18   8  0.25  molprobity     1  True   
452  452  OUTLIER  -102.9  -179.5  Favored  13   9  0.21  11  0.27  molprobity     1  True   
453  453  ?         -92.2   123.9  Favored   3   4  0.24   5  0.21  molprobity     1  True   
454  454  ttpt      -71.3   109.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
455  455  pt?           ?       ?  ?        11   7  0.16   8  0.22  molprobity     1  True   
456  456  ?             ?       ?  ?         5   4  0.24   5  0.21  molprobity     ?  False  
457  457  m120      -55.3   129.1  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
458  458  m-20     -141.4   106.3  Favored   4   8  0.16  11  0.24  molprobity     1  True   
459  459  p        -146.9   178.3  Favored   4   6  0.18   8  0.24  molprobity     1  True   
460  460  mt       -115.3   162.8  Favored  11   8  0.16  11  0.31  molprobity     1  True   
461  461  ?         -88.3  -151.5  Favored   3   4  0.24   5  0.22  molprobity     1  True   
462  462  OUTLIER   -86.8   151.0  Favored   9  12  0.35  16  0.22  molprobity     1  True   
463  463  m95        52.4    31.6  Favored  10  16  0.15  23  0.18  molprobity     1  True   
464  464  t         -99.4   122.4  Favored   5   6  0.18   8  0.24  molprobity     1  True   
465  465  ?         -51.2   136.8  Favored   5   5  0.15   7  0.23  molprobity     1  True   
466  466  p        -151.8  -175.6  Favored   4   6  0.18   8  0.24  molprobity     1  True   
467  467  t30      -108.3   140.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
468  468  Cg_endo   -69.8   -19.1  Favored   7   8  0.14  11  0.27  molprobity     1  True   
469  469  mttm      -95.7   -18.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
470  470  t30      -140.7    87.0  Favored   6   8  0.23  11  0.28  molprobity     1  True   
471  471  t70       -78.0   111.0  Favored   4   8  0.15  11  0.25  molprobity     1  True   
472  472  mmtt     -111.6    28.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
473  473  m         -77.7   168.1  Favored   4   6  0.20   8  0.24  molprobity     1  True   
474  474  OUTLIER  -120.3  -174.8  Favored   4   6  0.18   8  0.25  molprobity     1  True   
475  475  ?          53.0    28.4  Favored   5   5  0.16   7  0.24  molprobity     1  True   
476  476  m-20       62.5    30.3  Favored   6   8  0.23  11  0.29  molprobity     1  True   
477  477  mt        -69.0  -179.9  Allowed  11   8  0.19  11  0.23  molprobity     1  True   
478  478  p        -134.2   143.4  Favored   9   7  0.16  10  0.45  molprobity     1  True   
479  479  t         -96.8    97.2  Favored   4   6  0.19   8  0.24  molprobity     1  True   
480  480  t         -60.9   121.0  Favored   5   6  0.19   8  0.24  molprobity     1  True   
481  481  OUTLIER   -68.5   -11.2  Favored   5   6  0.19   8  0.24  molprobity     1  True   
482  482  mmmm      -93.2   -65.3  Allowed  13   9  0.21  11  0.20  molprobity     1  True   
483  483  m-70      -73.4   -18.2  Favored   7  11  0.14  15  0.20  molprobity     1  True   
484  484  mttm       58.0    59.8  Favored  13   9  0.23  11  0.20  molprobity     1  True   
485  485  OUTLIER  -160.1   169.3  Favored  10  16  0.16  23  0.17  molprobity     1  True   
486  486  m         -84.8    88.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
487  487  OUTLIER  -103.0  -179.3  Favored  13   9  0.20  11  0.27  molprobity     1  True   
488  488  ?         -92.5   122.9  Favored   3   4  0.22   5  0.21  molprobity     1  True   
489  489  ttpt      -72.5   106.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
490  490  mm?           ?       ?  ?        11   7  0.17   8  0.22  molprobity     1  True   
491  491  ?             ?       ?  ?         5   4  0.23   5  0.22  molprobity     ?  False  
492  492  t-20     -104.8   155.5  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
493  493  t0       -142.4   111.6  Favored   4   8  0.16  11  0.24  molprobity     1  True   
494  494  p        -146.8   177.5  Favored   4   6  0.21   8  0.25  molprobity     1  True   
495  495  mt       -114.4   162.7  Favored  11   8  0.17  11  0.30  molprobity     1  True   
496  496  ?         -88.5  -151.7  Favored   3   4  0.25   5  0.22  molprobity     1  True   
497  497  OUTLIER   -86.5   151.1  Favored   9  12  0.34  16  0.23  molprobity     1  True   
498  498  m95        52.3    31.5  Favored  10  16  0.15  23  0.18  molprobity     1  True   
499  499  t         -99.3   122.2  Favored   5   6  0.20   8  0.24  molprobity     1  True   
500  500  ?         -51.1   137.0  Favored   5   5  0.15   7  0.24  molprobity     1  True   
501  501  p        -152.0  -175.4  Favored   4   6  0.19   8  0.24  molprobity     1  True   
502  502  t30      -108.5   140.5  Favored   6   8  0.20  12  0.57  molprobity     1  True   
503  503  Cg_endo   -69.8   -18.5  Favored   7   8  0.14  11  0.28  molprobity     1  True   
504  504  mtmt      -96.3   -19.1  Favored  13   9  0.22  11  0.20  molprobity     1  True   
505  505  t30      -140.1    86.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
506  506  t70       -78.1   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
507  507  mmtm     -111.7    28.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
508  508  m         -77.2   168.1  Favored   4   6  0.18   8  0.25  molprobity     1  True   
509  509  OUTLIER  -120.1  -174.9  Favored   4   6  0.18   8  0.24  molprobity     1  True   
510  510  ?          52.9    28.6  Favored   5   5  0.13   7  0.24  molprobity     1  True   
511  511  m-20       62.2    30.4  Favored   6   8  0.23  11  0.29  molprobity     1  True   
512  512  mt        -69.0   180.0  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
513  513  p        -134.0   143.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
514  514  t         -97.0    97.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
515  515  t         -60.6   120.9  Favored   5   6  0.19   8  0.24  molprobity     1  True   
516  516  OUTLIER   -68.4   -11.3  Favored   5   6  0.19   8  0.23  molprobity     1  True   
517  517  mptp?     -93.1   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
518  518  OUTLIER   -73.4   -18.1  Favored   7  11  0.16  15  0.21  molprobity     1  True   
519  519  mttp       57.9    60.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
520  520  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
521  521  m         -84.9    88.9  Favored   4   6  0.18   8  0.25  molprobity     1  True   
522  522  OUTLIER  -102.9  -179.4  Favored  13   9  0.20  11  0.27  molprobity     1  True   
523  523  ?         -92.6   122.3  Favored   3   4  0.21   5  0.22  molprobity     1  True   
524  524  ttmm      -59.6   108.6  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
525  525  tp            ?       ?  ?        11   7  0.17   8  0.23  molprobity     1  True   
526  526  ?             ?       ?  ?         5   4  0.22   5  0.21  molprobity     ?  False  
527  527  t-20     -158.0   162.5  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
528  528  OUTLIER  -131.8   105.1  Favored   4   8  0.15  11  0.24  molprobity     1  True   
529  529  p        -148.6   177.8  Favored   4   6  0.20   8  0.25  molprobity     1  True   
530  530  mt       -114.7   162.3  Favored  11   8  0.17  11  0.30  molprobity     1  True   
531  531  ?         -88.2  -151.4  Favored   3   4  0.25   5  0.23  molprobity     1  True   
532  532  OUTLIER   -86.8   150.9  Favored   9  12  0.34  16  0.21  molprobity     1  True   
533  533  m95        52.5    31.3  Favored  10  16  0.16  23  0.18  molprobity     1  True   
534  534  t         -99.3   122.7  Favored   5   6  0.19   8  0.24  molprobity     1  True   
535  535  ?         -51.0   137.7  Favored   5   5  0.17   7  0.24  molprobity     1  True   
536  536  p        -152.7  -175.4  Favored   4   6  0.19   8  0.24  molprobity     1  True   
537  537  t30      -108.8   140.5  Favored   6   8  0.21  12  0.57  molprobity     1  True   
538  538  Cg_endo   -69.8   -18.4  Favored   7   8  0.14  11  0.27  molprobity     1  True   
539  539  mttt      -96.6   -18.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
540  540  t-20     -140.4    86.9  Favored   6   8  0.23  11  0.28  molprobity     1  True   
541  541  t70       -78.3   110.9  Favored   4   8  0.16  11  0.24  molprobity     1  True   
542  542  mmtt     -111.6    28.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
543  543  m         -77.1   167.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
544  544  OUTLIER  -119.7  -174.8  Favored   4   6  0.20   8  0.24  molprobity     1  True   
545  545  ?          53.0    28.5  Favored   5   5  0.13   7  0.24  molprobity     1  True   
546  546  m-20       62.1    30.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
547  547  mt        -69.0  -179.5  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
548  548  p        -134.4   143.4  Favored   9   7  0.16  10  0.45  molprobity     1  True   
549  549  t         -96.9    96.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
550  550  t         -60.4   120.8  Favored   5   6  0.20   8  0.23  molprobity     1  True   
551  551  t         -68.5   -11.3  Favored   5   6  0.18   8  0.23  molprobity     1  True   
552  552  OUTLIER   -93.2   -65.2  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
553  553  OUTLIER   -73.4   -18.1  Favored   7  11  0.15  15  0.20  molprobity     1  True   
554  554  mttm       58.0    59.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
555  555  OUTLIER  -160.2   169.2  Favored  10  16  0.14  23  0.17  molprobity     1  True   
556  556  m         -85.0    88.7  Favored   4   6  0.20   8  0.24  molprobity     1  True   
557  557  OUTLIER  -102.8  -179.3  Favored  13   9  0.22  11  0.28  molprobity     1  True   
558  558  ?         -91.8   123.6  Favored   3   4  0.24   5  0.22  molprobity     1  True   
559  559  tppt?     -76.6   112.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
560  560  OUTLIER       ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
561  561  ?             ?       ?  ?         5   4  0.25   5  0.22  molprobity     ?  False  
562  562  p30      -122.2   135.6  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
563  563  t0       -152.7   111.6  Favored   4   8  0.14  11  0.24  molprobity     1  True   
564  564  p        -147.4   177.4  Favored   4   6  0.21   8  0.24  molprobity     1  True   
565  565  mt       -114.1   162.4  Favored  11   8  0.17  11  0.30  molprobity     1  True   
566  566  ?         -88.5  -152.0  Favored   3   4  0.23   5  0.21  molprobity     1  True   
567  567  OUTLIER   -86.3   150.8  Favored   9  12  0.35  16  0.22  molprobity     1  True   
568  568  m95        52.6    31.3  Favored  10  16  0.15  23  0.18  molprobity     1  True   
569  569  t         -99.1   123.3  Favored   5   6  0.19   8  0.24  molprobity     1  True   
570  570  ?         -51.5   136.9  Favored   5   5  0.15   7  0.24  molprobity     1  True   
571  571  p        -152.0  -175.2  Favored   4   6  0.19   8  0.24  molprobity     1  True   
572  572  t30      -109.4   140.4  Favored   6   8  0.21  12  0.58  molprobity     1  True   
573  573  Cg_endo   -69.7   -18.5  Favored   7   8  0.14  11  0.27  molprobity     1  True   
574  574  mttt      -96.0   -19.7  Favored  13   9  0.23  11  0.20  molprobity     1  True   
575  575  t-20     -140.0    87.0  Favored   6   8  0.21  11  0.29  molprobity     1  True   
576  576  t70       -78.0   111.0  Favored   4   8  0.15  11  0.24  molprobity     1  True   
577  577  mmtp     -111.5    27.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
578  578  m         -76.5   168.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
579  579  OUTLIER  -120.3  -175.0  Favored   4   6  0.20   8  0.24  molprobity     1  True   
580  580  ?          53.0    28.5  Favored   5   5  0.14   7  0.23  molprobity     1  True   
581  581  m-80       62.3    30.5  Favored   6   8  0.22  11  0.29  molprobity     1  True   
582  582  mt        -68.9  -179.6  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
583  583  p        -134.5   143.6  Favored   9   7  0.14  10  0.46  molprobity     1  True   
584  584  t         -97.0    97.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
585  585  t         -60.9   120.9  Favored   5   6  0.20   8  0.24  molprobity     1  True   
586  586  OUTLIER   -68.5   -11.3  Favored   5   6  0.20   8  0.23  molprobity     1  True   
587  587  tptm      -93.1   -65.2  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
588  588  OUTLIER   -73.4   -18.2  Favored   7  11  0.14  15  0.21  molprobity     1  True   
589  589  mttp       58.0    59.9  Favored  13   9  0.24  11  0.21  molprobity     1  True   
590  590  OUTLIER  -160.2   169.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
591  591  m         -84.8    88.7  Favored   4   6  0.20   8  0.24  molprobity     1  True   
592  592  OUTLIER  -103.0  -179.4  Favored  13   9  0.21  11  0.28  molprobity     1  True   
593  593  ?         -91.5   123.6  Favored   3   4  0.22   5  0.22  molprobity     1  True   
594  594  tppt?     -75.4   109.7  Favored  13   9  0.21  11  0.22  molprobity     1  True   
595  595  tp            ?       ?  ?        11   7  0.17   8  0.22  molprobity     1  True   
596  596  ?             ?       ?  ?         5   4  0.20   5  0.21  molprobity     ?  False  
597  597  t30       -80.4   160.8  Favored   6   8  0.22  11  0.28  molprobity     ?  False  
598  598  t0       -139.4   109.8  Favored   4   8  0.17  11  0.24  molprobity     1  True   
599  599  p        -156.7   177.2  Favored   4   6  0.20   8  0.25  molprobity     1  True   
600  600  mt       -114.1   163.6  Favored  11   8  0.17  11  0.30  molprobity     1  True   
601  601  ?         -89.2  -152.0  Favored   3   4  0.22   5  0.21  molprobity     1  True   
602  602  OUTLIER   -86.2   150.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
603  603  m95        52.5    30.7  Favored  10  16  0.14  23  0.18  molprobity     1  True   
604  604  OUTLIER   -98.5   122.2  Favored   5   6  0.17   8  0.23  molprobity     1  True   
605  605  ?         -51.3   137.0  Favored   5   5  0.16   7  0.24  molprobity     1  True   
606  606  p        -151.9  -175.4  Favored   4   6  0.19   8  0.24  molprobity     1  True   
607  607  t30      -108.5   140.5  Favored   6   8  0.20  12  0.58  molprobity     1  True   
608  608  Cg_endo   -69.7   -19.3  Favored   7   8  0.15  11  0.28  molprobity     1  True   
609  609  mttm      -95.4   -18.7  Favored  13   9  0.23  11  0.20  molprobity     1  True   
610  610  t30      -140.8    87.2  Favored   6   8  0.22  11  0.29  molprobity     1  True   
611  611  t70       -78.3   111.0  Favored   4   8  0.16  11  0.24  molprobity     1  True   
612  612  mmtt     -111.6    29.0  Favored  13   9  0.23  11  0.21  molprobity     1  True   
613  613  m         -77.6   167.9  Favored   4   6  0.21   8  0.24  molprobity     1  True   
614  614  OUTLIER  -120.1  -174.9  Favored   4   6  0.19   8  0.25  molprobity     1  True   
615  615  ?          53.1    28.3  Favored   5   5  0.15   7  0.24  molprobity     1  True   
616  616  m-80       62.5    30.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
617  617  mt        -69.0  -179.8  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
618  618  p        -134.2   143.5  Favored   9   7  0.15  10  0.45  molprobity     1  True   
619  619  t         -97.0    97.0  Favored   4   6  0.18   8  0.26  molprobity     1  True   
620  620  t         -60.5   120.8  Favored   5   6  0.18   8  0.23  molprobity     1  True   
621  621  OUTLIER   -68.5   -11.4  Favored   5   6  0.18   8  0.24  molprobity     1  True   
622  622  OUTLIER   -93.1   -65.3  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
623  623  OUTLIER   -73.3   -18.2  Favored   7  11  0.15  15  0.19  molprobity     1  True   
624  624  mttm       58.0    59.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
625  625  OUTLIER  -160.2   169.2  Favored  10  16  0.14  23  0.18  molprobity     1  True   
626  626  m         -84.9    88.8  Favored   4   6  0.19   8  0.24  molprobity     1  True   
627  627  OUTLIER  -102.9  -179.7  Favored  13   9  0.21  11  0.28  molprobity     1  True   
628  628  ?         -91.6   122.6  Favored   3   4  0.24   5  0.21  molprobity     1  True   
629  629  tppt?     -75.0   110.7  Favored  13   9  0.23  11  0.20  molprobity     1  True   
630  630  OUTLIER       ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
631  631  ?             ?       ?  ?         5   4  0.26   5  0.22  molprobity     ?  False  
632  632  p30      -141.3   163.1  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
633  633  m-20     -129.2   104.7  Favored   4   8  0.16  11  0.23  molprobity     1  True   
634  634  p        -159.6   176.9  Favored   4   6  0.20   8  0.25  molprobity     1  True   
635  635  mt       -113.6   163.6  Favored  11   8  0.17  11  0.30  molprobity     1  True   
636  636  ?         -89.4  -151.9  Favored   3   4  0.26   5  0.22  molprobity     1  True   
637  637  OUTLIER   -85.9   150.8  Favored   9  12  0.34  16  0.22  molprobity     1  True   
638  638  m95        51.9    34.8  Favored  10  16  0.15  23  0.17  molprobity     1  True   
639  639  t        -102.5   123.0  Favored   5   6  0.20   8  0.24  molprobity     1  True   
640  640  ?         -51.5   135.0  Favored   5   5  0.15   7  0.25  molprobity     1  True   
641  641  p        -150.6  -175.3  Favored   4   6  0.18   8  0.25  molprobity     1  True   
642  642  t30      -109.2   140.4  Favored   6   8  0.20  12  0.57  molprobity     1  True   
643  643  Cg_endo   -69.8   -19.2  Favored   7   8  0.15  11  0.28  molprobity     1  True   
644  644  mttm      -95.0   -19.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
645  645  t-20     -140.1    86.5  Favored   6   8  0.22  11  0.29  molprobity     1  True   
646  646  t70       -77.2   110.9  Favored   4   8  0.17  11  0.24  molprobity     1  True   
647  647  mttm     -110.8    27.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
648  648  m         -76.5   168.7  Favored   4   6  0.20   8  0.24  molprobity     1  True   
649  649  OUTLIER  -121.3  -174.8  Favored   4   6  0.19   8  0.25  molprobity     1  True   
650  650  ?          53.1    28.2  Favored   5   5  0.14   7  0.24  molprobity     1  True   
651  651  m-80       62.6    30.3  Favored   6   8  0.23  11  0.28  molprobity     1  True   
652  652  mt        -69.0  -179.3  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
653  653  p        -134.4   143.5  Favored   9   7  0.16  10  0.46  molprobity     1  True   
654  654  t         -97.1    97.2  Favored   4   6  0.18   8  0.25  molprobity     1  True   
655  655  t         -60.8   120.8  Favored   5   6  0.18   8  0.24  molprobity     1  True   
656  656  OUTLIER   -68.5   -11.3  Favored   5   6  0.21   8  0.24  molprobity     1  True   
657  657  mptt      -93.2   -65.2  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
658  658  m-70      -73.3   -18.1  Favored   7  11  0.14  15  0.20  molprobity     1  True   
659  659  mtmp?      57.8    60.0  Favored  13   9  0.22  11  0.22  molprobity     1  True   
660  660  OUTLIER  -160.1   169.3  Favored  10  16  0.15  23  0.18  molprobity     1  True   
661  661  m         -84.9    88.8  Favored   4   6  0.21   8  0.24  molprobity     1  True   
662  662  OUTLIER  -102.9  -179.1  Favored  13   9  0.21  11  0.27  molprobity     1  True   
663  663  ?         -92.5   124.1  Favored   3   4  0.24   5  0.20  molprobity     1  True   
664  664  ttpt      -70.7   112.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
665  665  tt            ?       ?  ?        11   7  0.16   8  0.23  molprobity     1  True   
666  666  ?             ?       ?  ?         5   4  0.23   5  0.21  molprobity     ?  False  
667  667  t-20     -109.5   155.1  Favored   6   8  0.24  11  0.29  molprobity     ?  False  
668  668  t0       -136.9   107.0  Favored   4   8  0.17  11  0.23  molprobity     1  True   
669  669  p        -141.3   177.2  Favored   4   6  0.20   8  0.25  molprobity     1  True   
670  670  mt       -114.3   161.6  Favored  11   8  0.17  11  0.30  molprobity     1  True   
671  671  ?         -87.8  -151.5  Favored   3   4  0.24   5  0.22  molprobity     1  True   
672  672  OUTLIER   -86.4   150.9  Favored   9  12  0.34  16  0.22  molprobity     1  True   
673  673  m95        51.9    34.6  Favored  10  16  0.15  23  0.17  molprobity     1  True   
674  674  t        -102.2   122.5  Favored   5   6  0.21   8  0.23  molprobity     1  True   
675  675  ?         -51.1   135.4  Favored   5   5  0.16   7  0.23  molprobity     1  True   
676  676  p        -150.8  -175.6  Favored   4   6  0.18   8  0.24  molprobity     1  True   
677  677  t30      -108.6   140.6  Favored   6   8  0.20  12  0.57  molprobity     1  True   
678  678  Cg_endo   -69.7   -19.0  Favored   7   8  0.13  11  0.27  molprobity     1  True   
679  679  mttm      -95.9   -18.7  Favored  13   9  0.21  11  0.21  molprobity     1  True   
680  680  t-20     -140.6    86.4  Favored   6   8  0.23  11  0.29  molprobity     1  True   
681  681  t70       -78.0   110.9  Favored   4   8  0.16  11  0.24  molprobity     1  True   
682  682  mmtp     -111.5    28.1  Favored  13   9  0.22  11  0.20  molprobity     1  True   
683  683  m         -76.6   167.9  Favored   4   6  0.19   8  0.24  molprobity     1  True   
684  684  OUTLIER  -119.9  -175.0  Favored   4   6  0.19   8  0.24  molprobity     1  True   
685  685  ?          53.0    28.4  Favored   5   5  0.13   7  0.24  molprobity     1  True   
686  686  m-80       62.4    30.4  Favored   6   8  0.23  11  0.29  molprobity     1  True   
687  687  mt        -69.0  -179.8  Allowed  11   8  0.18  11  0.24  molprobity     1  True   
688  688  p        -134.0   143.7  Favored   9   7  0.15  10  0.45  molprobity     1  True   
689  689  t         -96.9    97.5  Favored   4   6  0.18   8  0.23  molprobity     1  True   
690  690  t         -61.2   120.7  Favored   5   6  0.19   8  0.23  molprobity     1  True   
691  691  OUTLIER   -68.5   -11.2  Favored   5   6  0.21   8  0.24  molprobity     1  True   
692  692  mmtm      -93.1   -65.3  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
693  693  m-70      -73.4   -18.2  Favored   7  11  0.15  15  0.20  molprobity     1  True   
694  694  mtmt       58.1    59.8  Favored  13   9  0.23  11  0.20  molprobity     1  True   
695  695  OUTLIER  -160.1   169.3  Favored  10  16  0.14  23  0.18  molprobity     1  True   
696  696  m         -84.9    88.8  Favored   4   6  0.18   8  0.25  molprobity     1  True   
697  697  OUTLIER  -102.9  -179.2  Favored  13   9  0.22  11  0.27  molprobity     1  True   
698  698  ?         -91.7   123.5  Favored   3   4  0.23   5  0.21  molprobity     1  True   
699  699  tppt?     -75.0   114.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
700  700  tp            ?       ?  ?        11   7  0.17   8  0.22  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  CE2    1  0.52  2.39  
  2    7  CD2    2  0.51  2.40  
  3   22  HD21   1  0.52  2.39  
  4   22  HD21   2  0.51  2.40  
  5   42  CD2    3  0.52  2.40  
  6   42  CE2    4  0.52  2.38  
  7   57  HD21   3  0.52  2.40  
  8   57  HD21   4  0.52  2.38  
  9   58  HG12   5  0.41  2.15  
 10   67  O      5  0.41  2.15  
 11   76  O      6  0.41  2.16  
 12   77  CD2    7  0.49  2.41  
 13   77  CE2    8  0.49  2.43  
 14   89  O      9  0.47  2.09  
 15   92  HD21   7  0.49  2.41  
 16   92  HD21   8  0.49  2.43  
 17   92  HD12   9  0.47  2.09  
 18   92  HD13   6  0.41  2.16  
 19   93  HG12  10  0.40  2.17  
 20  102  O     10  0.40  2.17  
 21  111  O     11  0.40  2.17  
 22  112  CD2   12  0.49  2.42  
 23  112  CE2   13  0.49  2.43  
 24  124  O     14  0.47  2.10  
 25  127  HD21  12  0.49  2.42  
 26  127  HD21  13  0.49  2.43  
 27  127  HD12  14  0.47  2.10  
 28  127  HD13  11  0.40  2.17  
 29  147  CD2   15  0.49  2.42  
 30  147  CE2   16  0.48  2.44  
 31  159  O     17  0.46  2.10  
 32  162  HD21  15  0.49  2.42  
 33  162  HD21  16  0.48  2.44  
 34  162  HD12  17  0.46  2.10  
 35  163  HG12  18  0.40  2.17  
 36  172  O     18  0.40  2.17  
 37  182  CE2   19  0.52  2.38  
 38  182  CD2   20  0.52  2.40  
 39  197  HD21  19  0.52  2.38  
 40  197  HD21  20  0.52  2.40  
 41  198  HG12  21  0.41  2.15  
 42  207  O     21  0.41  2.15  
 43  217  CE2   22  0.52  2.39  
 44  217  CD2   23  0.52  2.40  
 45  232  HD21  22  0.52  2.39  
 46  232  HD21  23  0.52  2.40  
 47  233  HG12  24  0.42  2.15  
 48  242  O     24  0.42  2.15  
 49  252  CE2   25  0.52  2.38  
 50  252  CD2   26  0.52  2.40  
 51  267  HD21  25  0.52  2.38  
 52  267  HD21  26  0.52  2.40  
 53  268  HG12  27  0.42  2.15  
 54  277  O     27  0.42  2.15  
 55  287  CE2   28  0.52  2.39  
 56  287  CD2   29  0.51  2.40  
 57  302  HD21  28  0.52  2.39  
 58  302  HD21  29  0.51  2.40  
 59  303  HG12  30  0.42  2.15  
 60  312  O     30  0.42  2.15  
 61  322  CE2   31  0.52  2.39  
 62  322  CD2   32  0.51  2.40  
 63  337  HD21  31  0.52  2.39  
 64  337  HD21  32  0.51  2.40  
 65  338  HG12  33  0.42  2.15  
 66  347  O     33  0.42  2.15  
 67  357  CE2   34  0.52  2.38  
 68  357  CD2   35  0.52  2.40  
 69  372  HD21  34  0.52  2.38  
 70  372  HD21  35  0.52  2.40  
 71  373  HG12  36  0.42  2.15  
 72  382  O     36  0.42  2.15  
 73  392  CE2   37  0.52  2.38  
 74  392  CD2   38  0.52  2.40  
 75  407  HD21  37  0.52  2.38  
 76  407  HD21  38  0.52  2.40  
 77  408  HG12  39  0.42  2.15  
 78  417  O     39  0.42  2.15  
 79  427  CE2   40  0.53  2.38  
 80  427  CD2   41  0.52  2.40  
 81  442  HD21  40  0.53  2.38  
 82  442  HD21  41  0.52  2.40  
 83  443  HG12  42  0.41  2.15  
 84  452  O     42  0.41  2.15  
 85  462  CE2   43  0.53  2.38  
 86  462  CD2   44  0.52  2.39  
 87  477  HD21  43  0.53  2.38  
 88  477  HD21  44  0.52  2.39  
 89  478  HG12  45  0.41  2.15  
 90  487  O     45  0.41  2.15  
 91  497  CE2   46  0.52  2.38  
 92  497  CD2   47  0.52  2.40  
 93  512  HD21  46  0.52  2.38  
 94  512  HD21  47  0.52  2.40  
 95  513  HG12  48  0.42  2.15  
 96  522  O     48  0.42  2.15  
 97  532  CD2   49  0.52  2.40  
 98  532  CE2   50  0.52  2.38  
 99  547  HD21  49  0.52  2.40  
100  547  HD21  50  0.52  2.38  
101  548  HG12  51  0.42  2.15  
102  557  O     51  0.42  2.15  
103  567  CE2   52  0.53  2.39  
104  567  CD2   53  0.51  2.40  
105  582  HD21  52  0.53  2.39  
106  582  HD21  53  0.51  2.40  
107  583  HG12  54  0.41  2.15  
108  592  O     54  0.41  2.15  
109  602  CE2   55  0.53  2.38  
110  602  CD2   56  0.52  2.40  
111  617  HD21  55  0.53  2.38  
112  617  HD21  56  0.52  2.40  
113  618  HG12  57  0.42  2.15  
114  627  O     57  0.42  2.15  
115  637  CE2   58  0.52  2.39  
116  637  CD2   59  0.51  2.41  
117  652  HD21  58  0.52  2.39  
118  652  HD21  59  0.51  2.41  
119  653  HG12  60  0.42  2.14  
120  662  O     60  0.42  2.14  
121  665  O     61  0.44  2.12  
122  665  HD23  61  0.44  2.12  
123  672  CE2   62  0.52  2.38  
124  672  CD2   63  0.51  2.40  
125  687  HD21  62  0.52  2.38  
126  687  HD21  63  0.51  2.40  
127  688  HG12  64  0.42  2.15  
128  697  O     64  0.42  2.15  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  4        ?     
 2  1        ?     
 3  outlier  ?     
 4  3        ?     
 5  3        ?     
 6  1        True  
 7  1        ?     
 8  3        True  
 9  1        ?     
10  4        True  
11  1        ?     
12  1        ?     
13  2        ?     
14  1        ?     
15  3        ?     
16  2        ?     
17  1        ?     
18  2        True  
19  1        ?     
20  2        ?     
#
_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  33
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.040
_pdbx_vrpt_cyrange_domain.medoid_model        7
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.096
_pdbx_vrpt_cyrange_domain.residue_string      A:3-A:35
#
_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                        assigned_chem_shift_list_1
_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           378
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           378
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            378
_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  GLY   1  0.125  
 2  A  ASN   2  0.097  
 3  A  ASP   3  0.061  
 4  A  CYS   4  0.032  
 5  A  LEU   5  0.026  
 6  A  GLY   6  0.021  
 7  A  PHE   7  0.020  
 8  A  TRP   8  0.023  
 9  A  SER   9  0.028  
10  A  ALA  10  0.028  
11  A  CYS  11  0.024  
12  A  ASN  12  0.022  
13  A  PRO  13  0.028  
14  A  LYS  14  0.032  
15  A  ASN  15  0.031  
16  A  ASP  16  0.024  
17  A  LYS  17  0.021  
18  A  CYS  18  0.022  
19  A  CYS  19  0.023  
20  A  ALA  20  0.023  
21  A  ASN  21  0.020  
22  A  LEU  22  0.019  
23  A  VAL  23  0.021  
24  A  CYS  24  0.021  
25  A  SER  25  0.022  
26  A  SER  26  0.018  
27  A  LYS  27  0.020  
28  A  HIS  28  0.018  
29  A  LYS  29  0.016  
30  A  TRP  30  0.012  
31  A  CYS  31  0.015  
32  A  LYS  32  0.025  
33  A  GLY  33  0.040  
34  A  LYS  34  0.053  
35  A  LEU  35  0.060  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        HIS
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    28
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  HB3
_pdbx_vrpt_chemical_shift_outlier.value          1.124
_pdbx_vrpt_chemical_shift_outlier.zscore         -5.160
_pdbx_vrpt_chemical_shift_outlier.prediction     1.18~4.91
_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  0.25  0.70  34  
3  CB  0.50  0.17  0.08  32  
4  N   0.50  0.70  0.70  33  
#
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   4    4  stereomethyl  stereomethyl  
 2  366  52  418  overall       Total         
 3  131  34  165  backbone      Total         
 4  199  13  212  sidechain     Total         
 5   36   5   41  aromatic      Total         
 6  221   3  224  overall       H             
 7   67   0   67  backbone      H             
 8  135   1  136  sidechain     H             
 9   19   2   21  aromatic      H             
10  108  42  150  overall       C             
11   32  34   66  backbone      C             
12   61   6   67  sidechain     C             
13   15   2   17  aromatic      C             
14   37   7   44  overall       N             
15   32   0   32  backbone      N             
16    3   6    9  sidechain     N             
17    2   1    3  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   4    4  stereomethyl  stereomethyl  
 2  378  58  436  overall       Total         
 3  137  39  176  backbone      Total         
 4  205  14  219  sidechain     Total         
 5   36   5   41  aromatic      Total         
 6  228   5  233  overall       H             
 7   70   2   72  backbone      H             
 8  139   1  140  sidechain     H             
 9   19   2   21  aromatic      H             
10  111  45  156  overall       C             
11   34  36   70  backbone      C             
12   62   7   69  sidechain     C             
13   15   2   17  aromatic      C             
14   39   8   47  overall       N             
15   33   1   34  backbone      N             
16    4   6   10  sidechain     N             
17    2   1    3  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     610  
 2  "Intra-residue (|i-j|=0)"                       136  
 3  "Sequential (|i-j|=1)"                          179  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             83  
 5  "Long range (|i-j|>=5)"                         212  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             17.4  
12  "Number of long range restraints per residue"   6.1  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 136   22.3  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      4    0.7  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain   100   16.4  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   32    5.2  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 179   29.3  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone     58    9.5  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    96   15.7  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   25    4.1  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  83   13.6  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     12    2.0  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    31    5.1  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   40    6.6  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                 212   34.8  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     30    4.9  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain   109   17.9  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   73   12.0  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 610  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone    104   17.0  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain   336   55.1  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain  170   27.9  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
