data_2M7E

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2M7E   
BMRB  19184  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2M7E
_pdbx_vrpt_summary.PDB_deposition_date         2013-04-21
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:01:41
_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  "Calcium-transporting ATPase 2, plasma membrane-type"
#
_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   42.17  158937  ?     ?     
2  2  1   60.50   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    4.56  154315  ?     ?     
6  2  3   39.38   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    2.51  
 2  4  2  A   1  1  A    2.51  
 3  5  3  A   1  1  A    4.30  
 4  6  3  A   1  1  A    4.30  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A    0.89  
 8  6  3  A   2  1  A    0.89  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A    4.30  
12  6  3  A   3  1  A    4.30  
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    1.91  
16  6  3  A   4  1  A    1.91  
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    1.91  
20  6  3  A   5  1  A    1.91  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    0.40  
24  6  3  A   6  1  A    0.40  
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    0.89  
28  6  3  A   7  1  A    0.89  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    0.89  
32  6  3  A   8  1  A    0.89  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A    0.89  
36  6  3  A   9  1  A    0.89  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   10.89  
40  6  3  A  10  1  A   10.89  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A    0.89  
44  6  3  A  11  1  A    0.89  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   10.89  
48  6  3  A  12  1  A   10.89  
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   10.89  
52  6  3  A  13  1  A   10.89  
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    0.20  
56  6  3  A  14  1  A    0.20  
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    4.30  
60  6  3  A  15  1  A    4.30  
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   10.89  
64  6  3  A  16  1  A   10.89  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A    1.91  
68  6  3  A  17  1  A    1.91  
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    1.91  
72  6  3  A  18  1  A    1.91  
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   10.89  
76  6  3  A  19  1  A   10.89  
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    0.89  
80  6  3  A  20  1  A    0.89  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.30  0.20  224  299  
 2   2  1  A  A  0.30  0.21  224  299  
 3   3  1  A  A  0.30  0.21  224  299  
 4   4  1  A  A  0.30  0.20  224  299  
 5   5  1  A  A  0.30  0.21  224  299  
 6   6  1  A  A  0.30  0.20  224  299  
 7   7  1  A  A  0.30  0.21  224  299  
 8   8  1  A  A  0.30  0.20  224  299  
 9   9  1  A  A  0.30  0.21  224  299  
10  10  1  A  A  0.31  0.21  224  299  
11  11  1  A  A  0.30  0.21  224  299  
12  12  1  A  A  0.30  0.21  224  299  
13  13  1  A  A  0.30  0.20  224  299  
14  14  1  A  A  0.30  0.21  224  299  
15  15  1  A  A  0.30  0.21  224  299  
16  16  1  A  A  0.31  0.21  224  299  
17  17  1  A  A  0.30  0.21  224  299  
18  18  1  A  A  0.30  0.21  224  299  
19  19  1  A  A  0.30  0.21  224  299  
20  20  1  A  A  0.30  0.20  224  299  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.21
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   17.19
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       16.25
_pdbx_vrpt_summary_geometry.clashscore                                 7.17
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.34
_pdbx_vrpt_summary_geometry.num_H_reduce                               4740
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             4480
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.21
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            5980
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.30
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            8
_pdbx_vrpt_summary_nmr.medoid_model                             8
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              4
_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              49.82
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  49.38
#
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  VAL  A   1  .  ?        1  
  2   1  1  A   2  LEU  A   2  .  ?        ?  
  3   1  1  A   3  GLU  A   3  .  ?        ?  
  4   1  1  A   4  LYS  A   4  .  ?        ?  
  5   1  1  A   5  TRP  A   5  .  ?        1  
  6   1  1  A   6  ARG  A   6  .  ?        ?  
  7   1  1  A   7  ASN  A   7  .  ?        ?  
  8   1  1  A   8  LEU  A   8  .  ?        ?  
  9   1  1  A   9  CYS  A   9  .  ?        ?  
 10   1  1  A  10  GLY  A  10  .  ?        ?  
 11   1  1  A  11  VAL  A  11  .  ?        2  
 12   1  1  A  12  VAL  A  12  .  ?        ?  
 13   1  1  A  13  LYS  A  13  .  ?        ?  
 14   1  1  A  14  ASN  A  14  .  ?        ?  
 15   1  1  A  15  PRO  A  15  .  ?        ?  
 16   1  1  A  16  LYS  A  16  .  ?        ?  
 17   1  1  A  17  ARG  A  17  .  ?        ?  
 18   1  1  A  18  ARG  A  18  .  ?        2  
 19   1  1  A  19  PHE  A  19  .  ?        ?  
 20   1  1  A  20  ARG  A  20  .  ?        ?  
 21   1  1  A  21  PHE  A  21  .  ?        ?  
 22   1  1  A  22  THR  A  22  .  ?        ?  
 23   1  1  A  23  ALA  A  23  .  ?        ?  
 24   1  1  A  24  ASN  A  24  .  ?        ?  
 25   1  1  A  25  LEU  A  25  .  ?        ?  
 26   1  1  A  26  SER  A  26  .  ?        ?  
 27   2  1  A   1  VAL  A   1  .  ?        2  
 28   2  1  A   2  LEU  A   2  .  ?        ?  
 29   2  1  A   3  GLU  A   3  .  ?        ?  
 30   2  1  A   4  LYS  A   4  .  ?        ?  
 31   2  1  A   5  TRP  A   5  .  ?        2  
 32   2  1  A   6  ARG  A   6  .  ?        ?  
 33   2  1  A   7  ASN  A   7  .  ?        ?  
 34   2  1  A   8  LEU  A   8  .  ?        ?  
 35   2  1  A   9  CYS  A   9  .  ?        ?  
 36   2  1  A  10  GLY  A  10  .  ?        ?  
 37   2  1  A  11  VAL  A  11  .  ?        ?  
 38   2  1  A  12  VAL  A  12  .  ?        ?  
 39   2  1  A  13  LYS  A  13  .  ?        ?  
 40   2  1  A  14  ASN  A  14  .  ?        ?  
 41   2  1  A  15  PRO  A  15  .  ?        ?  
 42   2  1  A  16  LYS  A  16  .  ?        ?  
 43   2  1  A  17  ARG  A  17  .  ?        ?  
 44   2  1  A  18  ARG  A  18  .  ?        ?  
 45   2  1  A  19  PHE  A  19  .  ?        ?  
 46   2  1  A  20  ARG  A  20  .  ?        ?  
 47   2  1  A  21  PHE  A  21  .  ?        ?  
 48   2  1  A  22  THR  A  22  .  ?        ?  
 49   2  1  A  23  ALA  A  23  .  ?        ?  
 50   2  1  A  24  ASN  A  24  .  ?        ?  
 51   2  1  A  25  LEU  A  25  .  ?        ?  
 52   2  1  A  26  SER  A  26  .  ?        ?  
 53   3  1  A   1  VAL  A   1  .  ?        ?  
 54   3  1  A   2  LEU  A   2  .  ?        2  
 55   3  1  A   3  GLU  A   3  .  ?        ?  
 56   3  1  A   4  LYS  A   4  .  ?        ?  
 57   3  1  A   5  TRP  A   5  .  ?        ?  
 58   3  1  A   6  ARG  A   6  .  ?        ?  
 59   3  1  A   7  ASN  A   7  .  ?        ?  
 60   3  1  A   8  LEU  A   8  .  ?        ?  
 61   3  1  A   9  CYS  A   9  .  ?        1  
 62   3  1  A  10  GLY  A  10  .  ?        ?  
 63   3  1  A  11  VAL  A  11  .  ?        ?  
 64   3  1  A  12  VAL  A  12  .  ?        1  
 65   3  1  A  13  LYS  A  13  .  ?        ?  
 66   3  1  A  14  ASN  A  14  .  ?        ?  
 67   3  1  A  15  PRO  A  15  .  ?        ?  
 68   3  1  A  16  LYS  A  16  .  ?        ?  
 69   3  1  A  17  ARG  A  17  .  ?        ?  
 70   3  1  A  18  ARG  A  18  .  ?        ?  
 71   3  1  A  19  PHE  A  19  .  ?        ?  
 72   3  1  A  20  ARG  A  20  .  ?        ?  
 73   3  1  A  21  PHE  A  21  .  ?        ?  
 74   3  1  A  22  THR  A  22  .  ?        ?  
 75   3  1  A  23  ALA  A  23  .  ?        ?  
 76   3  1  A  24  ASN  A  24  .  ?        ?  
 77   3  1  A  25  LEU  A  25  .  ?        ?  
 78   3  1  A  26  SER  A  26  .  ?        ?  
 79   4  1  A   1  VAL  A   1  .  ?        ?  
 80   4  1  A   2  LEU  A   2  .  ?        ?  
 81   4  1  A   3  GLU  A   3  .  ?        ?  
 82   4  1  A   4  LYS  A   4  .  ?        ?  
 83   4  1  A   5  TRP  A   5  .  ?        ?  
 84   4  1  A   6  ARG  A   6  .  ?        ?  
 85   4  1  A   7  ASN  A   7  .  ?        ?  
 86   4  1  A   8  LEU  A   8  .  ?        ?  
 87   4  1  A   9  CYS  A   9  .  ?        ?  
 88   4  1  A  10  GLY  A  10  .  ?        ?  
 89   4  1  A  11  VAL  A  11  .  ?        2  
 90   4  1  A  12  VAL  A  12  .  ?        ?  
 91   4  1  A  13  LYS  A  13  .  ?        ?  
 92   4  1  A  14  ASN  A  14  .  ?        ?  
 93   4  1  A  15  PRO  A  15  .  ?        ?  
 94   4  1  A  16  LYS  A  16  .  ?        ?  
 95   4  1  A  17  ARG  A  17  .  ?        ?  
 96   4  1  A  18  ARG  A  18  .  ?        2  
 97   4  1  A  19  PHE  A  19  .  ?        ?  
 98   4  1  A  20  ARG  A  20  .  ?        ?  
 99   4  1  A  21  PHE  A  21  .  ?        ?  
100   4  1  A  22  THR  A  22  .  ?        ?  
101   4  1  A  23  ALA  A  23  .  ?        ?  
102   4  1  A  24  ASN  A  24  .  ?        ?  
103   4  1  A  25  LEU  A  25  .  ?        ?  
104   4  1  A  26  SER  A  26  .  ?        ?  
105   5  1  A   1  VAL  A   1  .  ?        1  
106   5  1  A   2  LEU  A   2  .  ?        ?  
107   5  1  A   3  GLU  A   3  .  ?        ?  
108   5  1  A   4  LYS  A   4  .  ?        ?  
109   5  1  A   5  TRP  A   5  .  ?        1  
110   5  1  A   6  ARG  A   6  .  ?        ?  
111   5  1  A   7  ASN  A   7  .  ?        ?  
112   5  1  A   8  LEU  A   8  .  ?        ?  
113   5  1  A   9  CYS  A   9  .  ?        1  
114   5  1  A  10  GLY  A  10  .  ?        ?  
115   5  1  A  11  VAL  A  11  .  ?        2  
116   5  1  A  12  VAL  A  12  .  ?        1  
117   5  1  A  13  LYS  A  13  .  ?        ?  
118   5  1  A  14  ASN  A  14  .  ?        ?  
119   5  1  A  15  PRO  A  15  .  ?        ?  
120   5  1  A  16  LYS  A  16  .  ?        ?  
121   5  1  A  17  ARG  A  17  .  ?        ?  
122   5  1  A  18  ARG  A  18  .  ?        2  
123   5  1  A  19  PHE  A  19  .  ?        ?  
124   5  1  A  20  ARG  A  20  .  ?        ?  
125   5  1  A  21  PHE  A  21  .  ?        ?  
126   5  1  A  22  THR  A  22  .  ?        ?  
127   5  1  A  23  ALA  A  23  .  ?        ?  
128   5  1  A  24  ASN  A  24  .  ?        ?  
129   5  1  A  25  LEU  A  25  .  ?        ?  
130   5  1  A  26  SER  A  26  .  ?        ?  
131   6  1  A   1  VAL  A   1  .  ?        ?  
132   6  1  A   2  LEU  A   2  .  ?        2  
133   6  1  A   3  GLU  A   3  .  ?        ?  
134   6  1  A   4  LYS  A   4  .  ?        ?  
135   6  1  A   5  TRP  A   5  .  ?        ?  
136   6  1  A   6  ARG  A   6  .  ?        ?  
137   6  1  A   7  ASN  A   7  .  ?        ?  
138   6  1  A   8  LEU  A   8  .  ?        ?  
139   6  1  A   9  CYS  A   9  .  ?        ?  
140   6  1  A  10  GLY  A  10  .  ?        ?  
141   6  1  A  11  VAL  A  11  .  ?        1  
142   6  1  A  12  VAL  A  12  .  ?        ?  
143   6  1  A  13  LYS  A  13  .  ?        ?  
144   6  1  A  14  ASN  A  14  .  ?        ?  
145   6  1  A  15  PRO  A  15  .  ?        ?  
146   6  1  A  16  LYS  A  16  .  ?        ?  
147   6  1  A  17  ARG  A  17  .  ?        ?  
148   6  1  A  18  ARG  A  18  .  ?        1  
149   6  1  A  19  PHE  A  19  .  ?        ?  
150   6  1  A  20  ARG  A  20  .  ?        ?  
151   6  1  A  21  PHE  A  21  .  ?        ?  
152   6  1  A  22  THR  A  22  .  ?        ?  
153   6  1  A  23  ALA  A  23  .  ?        ?  
154   6  1  A  24  ASN  A  24  .  ?        ?  
155   6  1  A  25  LEU  A  25  .  ?        ?  
156   6  1  A  26  SER  A  26  .  ?        ?  
157   7  1  A   1  VAL  A   1  .  ?        2  
158   7  1  A   2  LEU  A   2  .  ?        ?  
159   7  1  A   3  GLU  A   3  .  ?        ?  
160   7  1  A   4  LYS  A   4  .  ?        ?  
161   7  1  A   5  TRP  A   5  .  ?        2  
162   7  1  A   6  ARG  A   6  .  ?        ?  
163   7  1  A   7  ASN  A   7  .  ?        ?  
164   7  1  A   8  LEU  A   8  .  ?        ?  
165   7  1  A   9  CYS  A   9  .  ?        1  
166   7  1  A  10  GLY  A  10  .  ?        ?  
167   7  1  A  11  VAL  A  11  .  ?        1  
168   7  1  A  12  VAL  A  12  .  ?        1  
169   7  1  A  13  LYS  A  13  .  ?        ?  
170   7  1  A  14  ASN  A  14  .  ?        ?  
171   7  1  A  15  PRO  A  15  .  ?        ?  
172   7  1  A  16  LYS  A  16  .  ?        ?  
173   7  1  A  17  ARG  A  17  .  ?        ?  
174   7  1  A  18  ARG  A  18  .  ?        1  
175   7  1  A  19  PHE  A  19  .  ?        ?  
176   7  1  A  20  ARG  A  20  .  ?        ?  
177   7  1  A  21  PHE  A  21  .  ?        ?  
178   7  1  A  22  THR  A  22  .  ?        ?  
179   7  1  A  23  ALA  A  23  .  ?        ?  
180   7  1  A  24  ASN  A  24  .  ?        ?  
181   7  1  A  25  LEU  A  25  .  ?        ?  
182   7  1  A  26  SER  A  26  .  ?        ?  
183   8  1  A   1  VAL  A   1  .  ?        ?  
184   8  1  A   2  LEU  A   2  .  ?        1  
185   8  1  A   3  GLU  A   3  .  ?        ?  
186   8  1  A   4  LYS  A   4  .  ?        1  
187   8  1  A   5  TRP  A   5  .  ?        ?  
188   8  1  A   6  ARG  A   6  .  ?        1  
189   8  1  A   7  ASN  A   7  .  ?        ?  
190   8  1  A   8  LEU  A   8  .  ?        1  
191   8  1  A   9  CYS  A   9  .  ?        1  
192   8  1  A  10  GLY  A  10  .  ?        ?  
193   8  1  A  11  VAL  A  11  .  ?        ?  
194   8  1  A  12  VAL  A  12  .  ?        1  
195   8  1  A  13  LYS  A  13  .  ?        ?  
196   8  1  A  14  ASN  A  14  .  ?        ?  
197   8  1  A  15  PRO  A  15  .  ?        ?  
198   8  1  A  16  LYS  A  16  .  ?        ?  
199   8  1  A  17  ARG  A  17  .  ?        ?  
200   8  1  A  18  ARG  A  18  .  ?        ?  
201   8  1  A  19  PHE  A  19  .  ?        ?  
202   8  1  A  20  ARG  A  20  .  ?        ?  
203   8  1  A  21  PHE  A  21  .  ?        ?  
204   8  1  A  22  THR  A  22  .  ?        ?  
205   8  1  A  23  ALA  A  23  .  ?        ?  
206   8  1  A  24  ASN  A  24  .  ?        ?  
207   8  1  A  25  LEU  A  25  .  ?        ?  
208   8  1  A  26  SER  A  26  .  ?        ?  
209   9  1  A   1  VAL  A   1  .  ?        ?  
210   9  1  A   2  LEU  A   2  .  ?        2  
211   9  1  A   3  GLU  A   3  .  ?        ?  
212   9  1  A   4  LYS  A   4  .  ?        ?  
213   9  1  A   5  TRP  A   5  .  ?        ?  
214   9  1  A   6  ARG  A   6  .  ?        ?  
215   9  1  A   7  ASN  A   7  .  ?        ?  
216   9  1  A   8  LEU  A   8  .  ?        ?  
217   9  1  A   9  CYS  A   9  .  ?        1  
218   9  1  A  10  GLY  A  10  .  ?        ?  
219   9  1  A  11  VAL  A  11  .  ?        1  
220   9  1  A  12  VAL  A  12  .  ?        1  
221   9  1  A  13  LYS  A  13  .  ?        ?  
222   9  1  A  14  ASN  A  14  .  ?        ?  
223   9  1  A  15  PRO  A  15  .  ?        ?  
224   9  1  A  16  LYS  A  16  .  ?        ?  
225   9  1  A  17  ARG  A  17  .  ?        ?  
226   9  1  A  18  ARG  A  18  .  ?        1  
227   9  1  A  19  PHE  A  19  .  ?        ?  
228   9  1  A  20  ARG  A  20  .  ?        ?  
229   9  1  A  21  PHE  A  21  .  ?        1  
230   9  1  A  22  THR  A  22  .  ?        1  
231   9  1  A  23  ALA  A  23  .  ?        ?  
232   9  1  A  24  ASN  A  24  .  ?        ?  
233   9  1  A  25  LEU  A  25  .  ?        ?  
234   9  1  A  26  SER  A  26  .  ?        ?  
235  10  1  A   1  VAL  A   1  .  ?        ?  
236  10  1  A   2  LEU  A   2  .  ?        ?  
237  10  1  A   3  GLU  A   3  .  ?        ?  
238  10  1  A   4  LYS  A   4  .  ?        ?  
239  10  1  A   5  TRP  A   5  .  ?        ?  
240  10  1  A   6  ARG  A   6  .  ?        ?  
241  10  1  A   7  ASN  A   7  .  ?        ?  
242  10  1  A   8  LEU  A   8  .  ?        ?  
243  10  1  A   9  CYS  A   9  .  ?        ?  
244  10  1  A  10  GLY  A  10  .  ?        ?  
245  10  1  A  11  VAL  A  11  .  ?        3  
246  10  1  A  12  VAL  A  12  .  ?        ?  
247  10  1  A  13  LYS  A  13  .  ?        ?  
248  10  1  A  14  ASN  A  14  .  ?        ?  
249  10  1  A  15  PRO  A  15  .  ?        ?  
250  10  1  A  16  LYS  A  16  .  ?        ?  
251  10  1  A  17  ARG  A  17  .  ?        ?  
252  10  1  A  18  ARG  A  18  .  ?        3  
253  10  1  A  19  PHE  A  19  .  ?        ?  
254  10  1  A  20  ARG  A  20  .  ?        ?  
255  10  1  A  21  PHE  A  21  .  ?        ?  
256  10  1  A  22  THR  A  22  .  ?        ?  
257  10  1  A  23  ALA  A  23  .  ?        ?  
258  10  1  A  24  ASN  A  24  .  ?        ?  
259  10  1  A  25  LEU  A  25  .  ?        ?  
260  10  1  A  26  SER  A  26  .  ?        ?  
261  11  1  A   1  VAL  A   1  .  ?        ?  
262  11  1  A   2  LEU  A   2  .  ?        ?  
263  11  1  A   3  GLU  A   3  .  ?        ?  
264  11  1  A   4  LYS  A   4  .  ?        ?  
265  11  1  A   5  TRP  A   5  .  ?        ?  
266  11  1  A   6  ARG  A   6  .  ?        ?  
267  11  1  A   7  ASN  A   7  .  ?        ?  
268  11  1  A   8  LEU  A   8  .  ?        ?  
269  11  1  A   9  CYS  A   9  .  ?        1  
270  11  1  A  10  GLY  A  10  .  ?        ?  
271  11  1  A  11  VAL  A  11  .  ?        1  
272  11  1  A  12  VAL  A  12  .  ?        1  
273  11  1  A  13  LYS  A  13  .  ?        ?  
274  11  1  A  14  ASN  A  14  .  ?        ?  
275  11  1  A  15  PRO  A  15  .  ?        ?  
276  11  1  A  16  LYS  A  16  .  ?        ?  
277  11  1  A  17  ARG  A  17  .  ?        ?  
278  11  1  A  18  ARG  A  18  .  ?        1  
279  11  1  A  19  PHE  A  19  .  ?        ?  
280  11  1  A  20  ARG  A  20  .  ?        ?  
281  11  1  A  21  PHE  A  21  .  ?        ?  
282  11  1  A  22  THR  A  22  .  ?        ?  
283  11  1  A  23  ALA  A  23  .  ?        ?  
284  11  1  A  24  ASN  A  24  .  ?        ?  
285  11  1  A  25  LEU  A  25  .  ?        ?  
286  11  1  A  26  SER  A  26  .  ?        ?  
287  12  1  A   1  VAL  A   1  .  ?        ?  
288  12  1  A   2  LEU  A   2  .  ?        ?  
289  12  1  A   3  GLU  A   3  .  ?        ?  
290  12  1  A   4  LYS  A   4  .  ?        ?  
291  12  1  A   5  TRP  A   5  .  ?        ?  
292  12  1  A   6  ARG  A   6  .  ?        ?  
293  12  1  A   7  ASN  A   7  .  ?        ?  
294  12  1  A   8  LEU  A   8  .  ?        ?  
295  12  1  A   9  CYS  A   9  .  ?        ?  
296  12  1  A  10  GLY  A  10  .  ?        ?  
297  12  1  A  11  VAL  A  11  .  ?        ?  
298  12  1  A  12  VAL  A  12  .  ?        ?  
299  12  1  A  13  LYS  A  13  .  ?        ?  
300  12  1  A  14  ASN  A  14  .  ?        ?  
301  12  1  A  15  PRO  A  15  .  ?        ?  
302  12  1  A  16  LYS  A  16  .  ?        ?  
303  12  1  A  17  ARG  A  17  .  ?        ?  
304  12  1  A  18  ARG  A  18  .  ?        ?  
305  12  1  A  19  PHE  A  19  .  ?        ?  
306  12  1  A  20  ARG  A  20  .  ?        ?  
307  12  1  A  21  PHE  A  21  .  ?        ?  
308  12  1  A  22  THR  A  22  .  ?        ?  
309  12  1  A  23  ALA  A  23  .  ?        ?  
310  12  1  A  24  ASN  A  24  .  ?        ?  
311  12  1  A  25  LEU  A  25  .  ?        ?  
312  12  1  A  26  SER  A  26  .  ?        ?  
313  13  1  A   1  VAL  A   1  .  ?        2  
314  13  1  A   2  LEU  A   2  .  ?        ?  
315  13  1  A   3  GLU  A   3  .  ?        ?  
316  13  1  A   4  LYS  A   4  .  ?        ?  
317  13  1  A   5  TRP  A   5  .  ?        2  
318  13  1  A   6  ARG  A   6  .  ?        ?  
319  13  1  A   7  ASN  A   7  .  ?        ?  
320  13  1  A   8  LEU  A   8  .  ?        1  
321  13  1  A   9  CYS  A   9  .  ?        ?  
322  13  1  A  10  GLY  A  10  .  ?        ?  
323  13  1  A  11  VAL  A  11  .  ?        ?  
324  13  1  A  12  VAL  A  12  .  ?        1  
325  13  1  A  13  LYS  A  13  .  ?        ?  
326  13  1  A  14  ASN  A  14  .  ?        ?  
327  13  1  A  15  PRO  A  15  .  ?        ?  
328  13  1  A  16  LYS  A  16  .  ?        ?  
329  13  1  A  17  ARG  A  17  .  ?        ?  
330  13  1  A  18  ARG  A  18  .  ?        ?  
331  13  1  A  19  PHE  A  19  .  ?        ?  
332  13  1  A  20  ARG  A  20  .  ?        ?  
333  13  1  A  21  PHE  A  21  .  ?        ?  
334  13  1  A  22  THR  A  22  .  ?        ?  
335  13  1  A  23  ALA  A  23  .  ?        ?  
336  13  1  A  24  ASN  A  24  .  ?        ?  
337  13  1  A  25  LEU  A  25  .  ?        ?  
338  13  1  A  26  SER  A  26  .  ?        ?  
339  14  1  A   1  VAL  A   1  .  ?        ?  
340  14  1  A   2  LEU  A   2  .  ?        2  
341  14  1  A   3  GLU  A   3  .  ?        ?  
342  14  1  A   4  LYS  A   4  .  ?        1  
343  14  1  A   5  TRP  A   5  .  ?        ?  
344  14  1  A   6  ARG  A   6  .  ?        ?  
345  14  1  A   7  ASN  A   7  .  ?        ?  
346  14  1  A   8  LEU  A   8  .  ?        1  
347  14  1  A   9  CYS  A   9  .  ?        ?  
348  14  1  A  10  GLY  A  10  .  ?        ?  
349  14  1  A  11  VAL  A  11  .  ?        1  
350  14  1  A  12  VAL  A  12  .  ?        ?  
351  14  1  A  13  LYS  A  13  .  ?        ?  
352  14  1  A  14  ASN  A  14  .  ?        ?  
353  14  1  A  15  PRO  A  15  .  ?        ?  
354  14  1  A  16  LYS  A  16  .  ?        ?  
355  14  1  A  17  ARG  A  17  .  ?        ?  
356  14  1  A  18  ARG  A  18  .  ?        1  
357  14  1  A  19  PHE  A  19  .  ?        ?  
358  14  1  A  20  ARG  A  20  .  ?        ?  
359  14  1  A  21  PHE  A  21  .  ?        ?  
360  14  1  A  22  THR  A  22  .  ?        ?  
361  14  1  A  23  ALA  A  23  .  ?        ?  
362  14  1  A  24  ASN  A  24  .  ?        ?  
363  14  1  A  25  LEU  A  25  .  ?        ?  
364  14  1  A  26  SER  A  26  .  ?        ?  
365  15  1  A   1  VAL  A   1  .  ?        ?  
366  15  1  A   2  LEU  A   2  .  ?        ?  
367  15  1  A   3  GLU  A   3  .  ?        ?  
368  15  1  A   4  LYS  A   4  .  ?        ?  
369  15  1  A   5  TRP  A   5  .  ?        ?  
370  15  1  A   6  ARG  A   6  .  ?        ?  
371  15  1  A   7  ASN  A   7  .  ?        ?  
372  15  1  A   8  LEU  A   8  .  ?        ?  
373  15  1  A   9  CYS  A   9  .  ?        1  
374  15  1  A  10  GLY  A  10  .  ?        ?  
375  15  1  A  11  VAL  A  11  .  ?        2  
376  15  1  A  12  VAL  A  12  .  ?        1  
377  15  1  A  13  LYS  A  13  .  ?        ?  
378  15  1  A  14  ASN  A  14  .  ?        ?  
379  15  1  A  15  PRO  A  15  .  ?        ?  
380  15  1  A  16  LYS  A  16  .  ?        ?  
381  15  1  A  17  ARG  A  17  .  ?        ?  
382  15  1  A  18  ARG  A  18  .  ?        2  
383  15  1  A  19  PHE  A  19  .  ?        ?  
384  15  1  A  20  ARG  A  20  .  ?        ?  
385  15  1  A  21  PHE  A  21  .  ?        ?  
386  15  1  A  22  THR  A  22  .  ?        ?  
387  15  1  A  23  ALA  A  23  .  ?        ?  
388  15  1  A  24  ASN  A  24  .  ?        ?  
389  15  1  A  25  LEU  A  25  .  ?        ?  
390  15  1  A  26  SER  A  26  .  ?        ?  
391  16  1  A   1  VAL  A   1  .  ?        ?  
392  16  1  A   2  LEU  A   2  .  ?        ?  
393  16  1  A   3  GLU  A   3  .  ?        ?  
394  16  1  A   4  LYS  A   4  .  ?        ?  
395  16  1  A   5  TRP  A   5  .  ?        ?  
396  16  1  A   6  ARG  A   6  .  ?        ?  
397  16  1  A   7  ASN  A   7  .  ?        ?  
398  16  1  A   8  LEU  A   8  .  ?        ?  
399  16  1  A   9  CYS  A   9  .  ?        ?  
400  16  1  A  10  GLY  A  10  .  ?        ?  
401  16  1  A  11  VAL  A  11  .  ?        2  
402  16  1  A  12  VAL  A  12  .  ?        ?  
403  16  1  A  13  LYS  A  13  .  ?        ?  
404  16  1  A  14  ASN  A  14  .  ?        ?  
405  16  1  A  15  PRO  A  15  .  ?        ?  
406  16  1  A  16  LYS  A  16  .  ?        ?  
407  16  1  A  17  ARG  A  17  .  ?        ?  
408  16  1  A  18  ARG  A  18  .  ?        2  
409  16  1  A  19  PHE  A  19  .  ?        ?  
410  16  1  A  20  ARG  A  20  .  ?        ?  
411  16  1  A  21  PHE  A  21  .  ?        ?  
412  16  1  A  22  THR  A  22  .  ?        ?  
413  16  1  A  23  ALA  A  23  .  ?        ?  
414  16  1  A  24  ASN  A  24  .  ?        ?  
415  16  1  A  25  LEU  A  25  .  ?        ?  
416  16  1  A  26  SER  A  26  .  ?        ?  
417  17  1  A   1  VAL  A   1  .  ?        ?  
418  17  1  A   2  LEU  A   2  .  ?        ?  
419  17  1  A   3  GLU  A   3  .  ?        ?  
420  17  1  A   4  LYS  A   4  .  ?        1  
421  17  1  A   5  TRP  A   5  .  ?        ?  
422  17  1  A   6  ARG  A   6  .  ?        ?  
423  17  1  A   7  ASN  A   7  .  ?        ?  
424  17  1  A   8  LEU  A   8  .  ?        2  
425  17  1  A   9  CYS  A   9  .  ?        ?  
426  17  1  A  10  GLY  A  10  .  ?        ?  
427  17  1  A  11  VAL  A  11  .  ?        2  
428  17  1  A  12  VAL  A  12  .  ?        1  
429  17  1  A  13  LYS  A  13  .  ?        ?  
430  17  1  A  14  ASN  A  14  .  ?        ?  
431  17  1  A  15  PRO  A  15  .  ?        ?  
432  17  1  A  16  LYS  A  16  .  ?        ?  
433  17  1  A  17  ARG  A  17  .  ?        ?  
434  17  1  A  18  ARG  A  18  .  ?        2  
435  17  1  A  19  PHE  A  19  .  ?        ?  
436  17  1  A  20  ARG  A  20  .  ?        2  
437  17  1  A  21  PHE  A  21  .  ?        ?  
438  17  1  A  22  THR  A  22  .  ?        2  
439  17  1  A  23  ALA  A  23  .  ?        ?  
440  17  1  A  24  ASN  A  24  .  ?        ?  
441  17  1  A  25  LEU  A  25  .  ?        ?  
442  17  1  A  26  SER  A  26  .  ?        ?  
443  18  1  A   1  VAL  A   1  .  ?        ?  
444  18  1  A   2  LEU  A   2  .  ?        ?  
445  18  1  A   3  GLU  A   3  .  ?        ?  
446  18  1  A   4  LYS  A   4  .  ?        ?  
447  18  1  A   5  TRP  A   5  .  ?        ?  
448  18  1  A   6  ARG  A   6  .  ?        ?  
449  18  1  A   7  ASN  A   7  .  ?        ?  
450  18  1  A   8  LEU  A   8  .  ?        ?  
451  18  1  A   9  CYS  A   9  .  ?        1  
452  18  1  A  10  GLY  A  10  .  ?        ?  
453  18  1  A  11  VAL  A  11  .  ?        2  
454  18  1  A  12  VAL  A  12  .  ?        1  
455  18  1  A  13  LYS  A  13  .  ?        ?  
456  18  1  A  14  ASN  A  14  .  ?        ?  
457  18  1  A  15  PRO  A  15  .  ?        ?  
458  18  1  A  16  LYS  A  16  .  ?        ?  
459  18  1  A  17  ARG  A  17  .  ?        ?  
460  18  1  A  18  ARG  A  18  .  ?        2  
461  18  1  A  19  PHE  A  19  .  ?        ?  
462  18  1  A  20  ARG  A  20  .  ?        ?  
463  18  1  A  21  PHE  A  21  .  ?        ?  
464  18  1  A  22  THR  A  22  .  ?        ?  
465  18  1  A  23  ALA  A  23  .  ?        ?  
466  18  1  A  24  ASN  A  24  .  ?        ?  
467  18  1  A  25  LEU  A  25  .  ?        ?  
468  18  1  A  26  SER  A  26  .  ?        ?  
469  19  1  A   1  VAL  A   1  .  ?        ?  
470  19  1  A   2  LEU  A   2  .  ?        ?  
471  19  1  A   3  GLU  A   3  .  ?        ?  
472  19  1  A   4  LYS  A   4  .  ?        ?  
473  19  1  A   5  TRP  A   5  .  ?        ?  
474  19  1  A   6  ARG  A   6  .  ?        ?  
475  19  1  A   7  ASN  A   7  .  ?        ?  
476  19  1  A   8  LEU  A   8  .  ?        1  
477  19  1  A   9  CYS  A   9  .  ?        ?  
478  19  1  A  10  GLY  A  10  .  ?        ?  
479  19  1  A  11  VAL  A  11  .  ?        1  
480  19  1  A  12  VAL  A  12  .  ?        1  
481  19  1  A  13  LYS  A  13  .  ?        ?  
482  19  1  A  14  ASN  A  14  .  ?        ?  
483  19  1  A  15  PRO  A  15  .  ?        ?  
484  19  1  A  16  LYS  A  16  .  ?        ?  
485  19  1  A  17  ARG  A  17  .  ?        ?  
486  19  1  A  18  ARG  A  18  .  ?        1  
487  19  1  A  19  PHE  A  19  .  ?        ?  
488  19  1  A  20  ARG  A  20  .  ?        ?  
489  19  1  A  21  PHE  A  21  .  ?        ?  
490  19  1  A  22  THR  A  22  .  ?        ?  
491  19  1  A  23  ALA  A  23  .  ?        ?  
492  19  1  A  24  ASN  A  24  .  ?        ?  
493  19  1  A  25  LEU  A  25  .  ?        2  
494  19  1  A  26  SER  A  26  .  ?        ?  
495  20  1  A   1  VAL  A   1  .  ?        1  
496  20  1  A   2  LEU  A   2  .  ?        2  
497  20  1  A   3  GLU  A   3  .  ?        ?  
498  20  1  A   4  LYS  A   4  .  ?        ?  
499  20  1  A   5  TRP  A   5  .  ?        1  
500  20  1  A   6  ARG  A   6  .  ?        ?  
501  20  1  A   7  ASN  A   7  .  ?        ?  
502  20  1  A   8  LEU  A   8  .  ?        ?  
503  20  1  A   9  CYS  A   9  .  ?        ?  
504  20  1  A  10  GLY  A  10  .  ?        ?  
505  20  1  A  11  VAL  A  11  .  ?        1  
506  20  1  A  12  VAL  A  12  .  ?        ?  
507  20  1  A  13  LYS  A  13  .  ?        ?  
508  20  1  A  14  ASN  A  14  .  ?        ?  
509  20  1  A  15  PRO  A  15  .  ?        ?  
510  20  1  A  16  LYS  A  16  .  ?        ?  
511  20  1  A  17  ARG  A  17  .  ?        ?  
512  20  1  A  18  ARG  A  18  .  ?        1  
513  20  1  A  19  PHE  A  19  .  ?        ?  
514  20  1  A  20  ARG  A  20  .  ?        ?  
515  20  1  A  21  PHE  A  21  .  ?        1  
516  20  1  A  22  THR  A  22  .  ?        1  
517  20  1  A  23  ALA  A  23  .  ?        ?  
518  20  1  A  24  ASN  A  24  .  ?        ?  
519  20  1  A  25  LEU  A  25  .  ?        ?  
520  20  1  A  26  SER  A  26  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  t             ?       ?  ?        11   7  0.16  10  0.45  molprobity     ?  False  
  2    2  OUTLIER  -142.2   -42.1  Allowed  11   8  0.18  11  0.25  molprobity     1  True   
  3    3  OUTLIER   -56.0   -24.1  Favored   6   9  0.21  12  0.27  molprobity     1  True   
  4    4  mmtt      -80.0   -33.3  Favored  13   9  0.23  11  0.20  molprobity     1  True   
  5    5  m95       -80.8   -28.5  Favored  10  16  0.15  23  0.17  molprobity     1  True   
  6    6  ttm-85    -81.9   -20.2  Favored  13  11  0.16  14  0.26  molprobity     1  True   
  7    7  m-20      -94.5   -25.3  Favored   6   8  0.22  11  0.29  molprobity     1  True   
  8    8  mt        -74.1   -39.5  Favored  11   8  0.19  11  0.24  molprobity     1  True   
  9    9  m         -54.4   -27.3  Favored   5   6  0.17   8  0.32  molprobity     1  True   
 10   10  ?         -63.1   -14.9  Favored   3   4  0.21   5  0.22  molprobity     1  True   
 11   11  t        -123.5   -36.5  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
 12   12  t         -75.8   -23.3  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 13   13  mmtm     -120.1    27.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 14   14  t30      -123.7    66.9  Favored   6   8  0.20  12  0.57  molprobity     1  True   
 15   15  Cg_endo   -69.8   -13.7  Favored   7   8  0.15  11  0.27  molprobity     1  True   
 16   16  OUTLIER   -65.8   -33.5  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 17   17  mmt85    -118.2   -28.0  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 18   18  tpt180    -84.6   150.3  Favored  13  11  0.16  14  0.27  molprobity     1  True   
 19   19  m-85      -69.0   -16.0  Favored   9  12  0.32  16  0.22  molprobity     ?  False  
 20   20  ttp180     64.4   107.9  OUTLIER  13  11  0.15  14  0.26  molprobity     ?  False  
 21   21  p90      -130.9    87.6  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
 22   22  p         -81.9     0.1  Favored   7   7  0.22  10  0.57  molprobity     ?  False  
 23   23  ?          60.6    47.0  Favored   5   5  0.14   7  0.24  molprobity     ?  False  
 24   24  p-10      -82.2   123.7  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
 25   25  mt        -54.7   114.6  Allowed  11   8  0.19  11  0.24  molprobity     ?  False  
 26   26  t             ?       ?  ?         5   5  0.13   5  0.16  molprobity     ?  False  
 27   27  p             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
 28   28  OUTLIER   -51.8   -49.2  Favored  11   8  0.19  11  0.25  molprobity     1  True   
 29   29  pm0       -55.5   -29.4  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 30   30  OUTLIER   -73.0   -24.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 31   31  m95       -89.0   -26.4  Favored  10  16  0.15  23  0.17  molprobity     1  True   
 32   32  tpp180    -85.3   -19.6  Favored  13  11  0.15  14  0.27  molprobity     1  True   
 33   33  m-20      -96.0   -20.8  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 34   34  OUTLIER   -67.4   -60.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
 35   35  m         -57.9   -23.0  Favored   5   6  0.16   8  0.31  molprobity     1  True   
 36   36  ?         -71.4    -7.7  Favored   3   4  0.22   5  0.22  molprobity     1  True   
 37   37  t        -124.1   -35.2  Allowed   9   7  0.16  10  0.45  molprobity     1  True   
 38   38  t         -68.5   -20.6  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 39   39  mtmp?    -127.7    36.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
 40   40  t30      -125.1    67.6  Favored   6   8  0.20  12  0.58  molprobity     1  True   
 41   41  Cg_endo   -69.8   -22.0  Favored   7   8  0.14  11  0.28  molprobity     1  True   
 42   42  OUTLIER   -56.6   -26.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 43   43  mmm180   -127.7   -36.7  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 44   44  mmm180    -81.9  -169.8  Favored  13  11  0.16  14  0.24  molprobity     1  True   
 45   45  p90      -122.2   149.4  Favored   9  12  0.34  16  0.22  molprobity     ?  False  
 46   46  OUTLIER   -53.8   153.1  Favored  13  11  0.15  14  0.25  molprobity     ?  False  
 47   47  m-85     -124.2    68.5  Allowed   9  12  0.34  16  0.21  molprobity     ?  False  
 48   48  t         -58.8   -21.1  Favored   7   7  0.22  10  0.56  molprobity     ?  False  
 49   49  ?          57.6    37.7  Favored   5   5  0.14   7  0.23  molprobity     ?  False  
 50   50  t30      -122.5   143.0  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
 51   51  mp       -107.2   -55.4  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
 52   52  m             ?       ?  ?         5   5  0.15   5  0.17  molprobity     ?  False  
 53   53  m             ?       ?  ?        11   7  0.18  10  0.45  molprobity     ?  False  
 54   54  OUTLIER   -59.2   -42.5  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 55   55  mt-10     -57.6   -24.6  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 56   56  mmmm      -84.8   -35.7  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 57   57  m95       -76.5   -31.7  Favored  10  16  0.14  23  0.18  molprobity     1  True   
 58   58  ttm180    -76.0   -24.2  Favored  13  11  0.15  14  0.27  molprobity     1  True   
 59   59  m-80      -92.7   -24.7  Favored   6   8  0.25  11  0.29  molprobity     1  True   
 60   60  mt        -72.5   -50.2  Favored  11   8  0.20  11  0.24  molprobity     1  True   
 61   61  m         -58.8   -22.1  Favored   5   6  0.17   8  0.31  molprobity     1  True   
 62   62  ?         -77.0    -2.2  Favored   3   4  0.24   5  0.21  molprobity     1  True   
 63   63  t        -118.5   -30.0  Allowed   9   7  0.13  10  0.45  molprobity     1  True   
 64   64  p         -73.3   -29.7  Favored   9   7  0.16  10  0.45  molprobity     1  True   
 65   65  mttm     -113.9    34.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
 66   66  t30      -115.5    75.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
 67   67  Cg_endo   -69.8    -7.9  Favored   7   8  0.15  11  0.28  molprobity     1  True   
 68   68  mttp      -70.6   -48.3  Favored  13   9  0.21  11  0.20  molprobity     1  True   
 69   69  mmt180   -110.8    -9.6  Favored  13  11  0.14  14  0.24  molprobity     1  True   
 70   70  OUTLIER  -128.8  -169.9  Favored  13  11  0.16  14  0.26  molprobity     1  True   
 71   71  m-85     -110.8  -175.6  Favored   9  12  0.35  16  0.23  molprobity     ?  False  
 72   72  OUTLIER  -109.0    99.8  Favored  13  11  0.16  14  0.26  molprobity     ?  False  
 73   73  p90      -121.6    87.8  Favored   9  12  0.34  16  0.22  molprobity     ?  False  
 74   74  p         -81.3    -1.6  Favored   7   7  0.22  10  0.55  molprobity     ?  False  
 75   75  ?          63.1    41.4  Favored   5   5  0.15   7  0.24  molprobity     ?  False  
 76   76  p-10      -64.0   -28.8  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
 77   77  mt       -122.8   143.3  Favored  11   8  0.19  11  0.23  molprobity     ?  False  
 78   78  t             ?       ?  ?         5   5  0.17   5  0.17  molprobity     ?  False  
 79   79  p             ?       ?  ?        11   7  0.16  10  0.46  molprobity     ?  False  
 80   80  OUTLIER   -65.3   -56.3  Favored  11   8  0.18  11  0.24  molprobity     1  True   
 81   81  pm0       -55.0   -26.9  Favored   6   9  0.19  12  0.27  molprobity     1  True   
 82   82  tppt?     -70.6   -26.3  Favored  13   9  0.23  11  0.20  molprobity     1  True   
 83   83  m95       -79.9   -37.9  Favored  10  16  0.15  23  0.17  molprobity     1  True   
 84   84  ttm180    -70.3   -21.3  Favored  13  11  0.15  14  0.26  molprobity     1  True   
 85   85  m-20      -99.2   -22.1  Favored   6   8  0.23  11  0.29  molprobity     1  True   
 86   86  OUTLIER   -54.0   -64.7  Allowed  11   8  0.20  11  0.24  molprobity     1  True   
 87   87  m         -56.8   -25.2  Favored   5   6  0.17   8  0.32  molprobity     1  True   
 88   88  ?         -66.6   -12.7  Favored   3   4  0.22   5  0.21  molprobity     1  True   
 89   89  t        -119.4   -36.6  Allowed   9   7  0.15  10  0.46  molprobity     1  True   
 90   90  t         -52.7   -28.6  Favored   9   7  0.16  10  0.46  molprobity     1  True   
 91   91  mmtm     -144.4    74.3  Allowed  13   9  0.21  11  0.21  molprobity     1  True   
 92   92  t30      -146.6    67.1  Favored   6   8  0.20  12  0.57  molprobity     1  True   
 93   93  Cg_endo   -69.8   -11.9  Favored   7   8  0.14  11  0.28  molprobity     1  True   
 94   94  ptmm?     -68.2   -42.4  Favored  13   9  0.22  11  0.20  molprobity     1  True   
 95   95  tpm_?    -107.8   -22.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
 96   96  mtp85    -119.6  -176.8  Favored  13  11  0.16  14  0.25  molprobity     1  True   
 97   97  m-85      -90.4  -170.2  Favored   9  12  0.34  16  0.24  molprobity     ?  False  
 98   98  OUTLIER  -113.7   150.9  Favored  13  11  0.15  14  0.25  molprobity     ?  False  
 99   99  m-85      -96.0    68.1  Favored   9  12  0.34  16  0.23  molprobity     ?  False  
100  100  p         -57.9   -22.3  Favored   7   7  0.22  10  0.54  molprobity     ?  False  
101  101  ?          57.3    27.9  Favored   5   5  0.14   7  0.24  molprobity     ?  False  
102  102  t30      -113.4   122.3  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
103  103  mt       -104.0   -50.9  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
104  104  OUTLIER       ?       ?  ?         5   5  0.16   5  0.17  molprobity     ?  False  
105  105  p             ?       ?  ?        11   7  0.18  10  0.46  molprobity     ?  False  
106  106  OUTLIER  -139.0   -49.8  Allowed  11   8  0.19  11  0.24  molprobity     1  True   
107  107  mt-10     -55.6   -23.5  Favored   6   9  0.21  12  0.26  molprobity     1  True   
108  108  tppp?     -77.0   -35.6  Favored  13   9  0.24  11  0.21  molprobity     1  True   
109  109  m95       -74.9   -34.4  Favored  10  16  0.15  23  0.17  molprobity     1  True   
110  110  ttp180    -74.3   -26.0  Favored  13  11  0.14  14  0.25  molprobity     1  True   
111  111  m-80      -88.3   -26.1  Favored   6   8  0.24  11  0.29  molprobity     1  True   
112  112  mt        -73.5   -31.7  Favored  11   8  0.20  11  0.24  molprobity     1  True   
113  113  m         -62.3   -17.8  Favored   5   6  0.17   8  0.31  molprobity     1  True   
114  114  ?         -78.9     0.5  Favored   3   4  0.24   5  0.21  molprobity     1  True   
115  115  t        -125.7   -35.9  Allowed   9   7  0.15  10  0.46  molprobity     1  True   
116  116  p         -62.6   -29.0  Favored   9   7  0.16  10  0.45  molprobity     1  True   
117  117  mtmm     -130.1    50.8  Favored  13   9  0.22  11  0.21  molprobity     1  True   
118  118  OUTLIER  -131.1    62.0  Favored   6   8  0.21  12  0.58  molprobity     1  True   
119  119  Cg_endo   -69.7   -18.2  Favored   7   8  0.17  11  0.27  molprobity     1  True   
120  120  OUTLIER   -64.4   -35.3  Favored  13   9  0.22  11  0.21  molprobity     1  True   
121  121  tpp180   -111.2   -30.7  Favored  13  11  0.16  14  0.26  molprobity     1  True   
122  122  mtp85    -114.4  -175.9  Favored  13  11  0.15  14  0.26  molprobity     1  True   
123  123  m-85      -97.5  -170.7  Favored   9  12  0.34  16  0.21  molprobity     ?  False  
124  124  OUTLIER  -113.1   150.8  Favored  13  11  0.15  14  0.26  molprobity     ?  False  
125  125  m-85      -94.6    68.2  Favored   9  12  0.34  16  0.23  molprobity     ?  False  
126  126  t         -58.4   -21.7  Favored   7   7  0.23  10  0.55  molprobity     ?  False  
127  127  ?          56.8    33.0  Favored   5   5  0.15   7  0.24  molprobity     ?  False  
128  128  m120       55.6    39.4  Favored   6   8  0.21  11  0.29  molprobity     ?  False  
129  129  mt       -106.9   160.6  Favored  11   8  0.18  11  0.25  molprobity     ?  False  
130  130  m             ?       ?  ?         5   5  0.14   5  0.17  molprobity     ?  False  
131  131  m             ?       ?  ?        11   7  0.15  10  0.46  molprobity     ?  False  
132  132  OUTLIER   -61.9   -39.8  Favored  11   8  0.18  11  0.25  molprobity     1  True   
133  133  mm-40     -58.0   -22.8  Favored   6   9  0.20  12  0.26  molprobity     1  True   
134  134  OUTLIER   -86.0   -36.7  Favored  13   9  0.24  11  0.21  molprobity     1  True   
135  135  m95       -75.3   -31.9  Favored  10  16  0.14  23  0.17  molprobity     1  True   
136  136  ttm180    -74.8   -24.9  Favored  13  11  0.14  14  0.26  molprobity     1  True   
137  137  m-80      -91.4   -25.1  Favored   6   8  0.23  11  0.30  molprobity     1  True   
138  138  tp        -59.0   -56.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
139  139  m         -52.0   -40.1  Favored   5   6  0.17   8  0.32  molprobity     1  True   
140  140  ?         -54.5   -24.2  Favored   3   4  0.20   5  0.21  molprobity     1  True   
141  141  t         -95.1   -41.1  Favored   9   7  0.15  10  0.45  molprobity     1  True   
142  142  t         -65.9   -21.4  Favored   9   7  0.16  10  0.45  molprobity     1  True   
143  143  OUTLIER   -93.2     0.0  Favored  13   9  0.22  11  0.21  molprobity     1  True   
144  144  t30      -118.9    66.6  Favored   6   8  0.20  12  0.57  molprobity     1  True   
145  145  Cg_endo   -69.7    -8.5  Favored   7   8  0.13  11  0.28  molprobity     1  True   
146  146  ptpt      -71.5   -41.5  Favored  13   9  0.23  11  0.21  molprobity     1  True   
147  147  OUTLIER  -111.0   -19.6  Favored  13  11  0.15  14  0.25  molprobity     1  True   
148  148  OUTLIER  -121.9  -176.3  Favored  13  11  0.15  14  0.27  molprobity     1  True   
149  149  m-85     -105.5  -176.2  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
150  150  OUTLIER  -121.0   100.4  Favored  13  11  0.16  14  0.24  molprobity     ?  False  
151  151  p90      -122.5    88.0  Favored   9  12  0.33  16  0.23  molprobity     ?  False  
152  152  p         -80.5    -2.3  Favored   7   7  0.22  10  0.55  molprobity     ?  False  
153  153  ?          63.6    26.9  Favored   5   5  0.14   7  0.24  molprobity     ?  False  
154  154  p-10      -58.4   -32.2  Favored   6   8  0.22  11  0.30  molprobity     ?  False  
155  155  tp        -92.3    89.8  Favored  11   8  0.20  11  0.24  molprobity     ?  False  
156  156  t             ?       ?  ?         5   5  0.16   5  0.18  molprobity     ?  False  
157  157  m             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
158  158  OUTLIER   -58.7   -51.7  Favored  11   8  0.20  11  0.24  molprobity     1  True   
159  159  pt-20     -56.6   -26.2  Favored   6   9  0.20  12  0.26  molprobity     1  True   
160  160  OUTLIER   -76.4   -22.8  Favored  13   9  0.24  11  0.20  molprobity     1  True   
161  161  m95       -88.8   -29.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
162  162  ttm180    -84.2   -21.2  Favored  13  11  0.15  14  0.23  molprobity     1  True   
163  163  m-20      -93.0   -21.1  Favored   6   8  0.23  11  0.29  molprobity     1  True   
164  164  mt        -74.5   -55.3  Favored  11   8  0.20  11  0.24  molprobity     1  True   
165  165  m         -56.0   -28.2  Favored   5   6  0.17   8  0.31  molprobity     1  True   
166  166  ?         -72.6    -6.0  Favored   3   4  0.22   5  0.22  molprobity     1  True   
167  167  t        -114.4   -33.7  Favored   9   7  0.15  10  0.45  molprobity     1  True   
168  168  p         -78.4   -16.4  Favored   9   7  0.16  10  0.45  molprobity     1  True   
169  169  mttp     -117.4    18.4  Favored  13   9  0.23  11  0.21  molprobity     1  True   
170  170  t30      -122.4    66.0  Favored   6   8  0.21  12  0.58  molprobity     1  True   
171  171  Cg_endo   -69.8   -11.4  Favored   7   8  0.15  11  0.27  molprobity     1  True   
172  172  OUTLIER   -67.6   -35.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
173  173  mtm180   -117.5   -25.0  Favored  13  11  0.15  14  0.26  molprobity     1  True   
174  174  mmm180    -91.2   174.6  Favored  13  11  0.16  14  0.25  molprobity     1  True   
175  175  m-85     -114.3   144.6  Favored   9  12  0.34  16  0.21  molprobity     ?  False  
176  176  OUTLIER   -50.4   137.9  Favored  13  11  0.14  14  0.26  molprobity     ?  False  
177  177  m-85     -110.6    69.0  Allowed   9  12  0.35  16  0.23  molprobity     ?  False  
178  178  t         -57.2   -22.5  Favored   7   7  0.23  10  0.56  molprobity     ?  False  
179  179  ?          60.6    46.7  Favored   5   5  0.14   7  0.23  molprobity     ?  False  
180  180  t30       -93.9   -34.9  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
181  181  OUTLIER  -105.7   165.0  Favored  11   8  0.18  11  0.24  molprobity     ?  False  
182  182  p             ?       ?  ?         5   5  0.16   5  0.18  molprobity     ?  False  
183  183  t             ?       ?  ?        11   7  0.16  10  0.45  molprobity     ?  False  
184  184  OUTLIER   -70.3   -45.6  Favored  11   8  0.18  11  0.24  molprobity     1  True   
185  185  pt-20     -56.0   -26.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
186  186  mmtt      -73.8   -24.2  Favored  13   9  0.22  11  0.21  molprobity     1  True   
187  187  m95       -89.0   -27.9  Favored  10  16  0.15  23  0.18  molprobity     1  True   
188  188  ttm105    -84.7   -20.2  Favored  13  11  0.13  14  0.26  molprobity     1  True   
189  189  m-80      -94.0   -21.0  Favored   6   8  0.22  11  0.29  molprobity     1  True   
190  190  mp        -77.2   -41.3  Favored  11   8  0.19  11  0.24  molprobity     1  True   
191  191  m         -61.1   -19.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
192  192  ?         -78.2    -0.7  Favored   3   4  0.23   5  0.22  molprobity     1  True   
193  193  t        -121.7   -33.0  Allowed   9   7  0.14  10  0.46  molprobity     1  True   
194  194  p         -68.0   -30.1  Favored   9   7  0.16  10  0.46  molprobity     1  True   
195  195  mmtp     -123.8    50.1  Allowed  13   9  0.23  11  0.21  molprobity     1  True   
196  196  t30      -132.2    68.2  Favored   6   8  0.19  12  0.58  molprobity     1  True   
197  197  Cg_endo   -69.8    -8.8  Favored   7   8  0.15  11  0.28  molprobity     1  True   
198  198  OUTLIER   -76.3   -27.8  Favored  13   9  0.22  11  0.20  molprobity     1  True   
199  199  OUTLIER  -115.5   -27.1  Favored  13  11  0.15  14  0.25  molprobity     1  True   
200  200  OUTLIER  -123.4  -175.7  Favored  13  11  0.15  14  0.26  molprobity     1  True   
201  201  m-85      -90.0  -173.8  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
202  202  OUTLIER  -112.8   110.8  Favored  13  11  0.15  14  0.26  molprobity     ?  False  
203  203  p90      -118.0    87.8  Favored   9  12  0.34  16  0.21  molprobity     ?  False  
204  204  p         -82.3    -1.5  Favored   7   7  0.21  10  0.55  molprobity     ?  False  
205  205  ?          63.1    37.0  Favored   5   5  0.16   7  0.23  molprobity     ?  False  
206  206  t30      -113.2   -42.4  Favored   6   8  0.24  11  0.29  molprobity     ?  False  
207  207  tt       -127.0   120.5  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
208  208  t             ?       ?  ?         5   5  0.15   5  0.17  molprobity     ?  False  
209  209  p             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
210  210  OUTLIER   -67.7   -38.1  Favored  11   8  0.18  11  0.26  molprobity     1  True   
211  211  OUTLIER   -56.7   -23.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
212  212  OUTLIER   -80.8   -34.9  Favored  13   9  0.23  11  0.21  molprobity     1  True   
213  213  m95       -78.4   -28.5  Favored  10  16  0.15  23  0.17  molprobity     1  True   
214  214  ttp180    -78.6   -22.7  Favored  13  11  0.15  14  0.26  molprobity     1  True   
215  215  m-80      -94.4   -24.1  Favored   6   8  0.23  11  0.29  molprobity     1  True   
216  216  tp        -65.3   -43.3  Favored  11   8  0.20  11  0.24  molprobity     1  True   
217  217  m         -61.1   -19.1  Favored   5   6  0.16   8  0.31  molprobity     1  True   
218  218  ?         -78.5     0.1  Favored   3   4  0.23   5  0.22  molprobity     1  True   
219  219  t        -124.1   -34.9  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
220  220  p         -64.6   -29.4  Favored   9   7  0.15  10  0.46  molprobity     1  True   
221  221  mtmm     -131.5    56.0  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
222  222  t30      -135.4    66.6  Favored   6   8  0.20  12  0.58  molprobity     1  True   
223  223  Cg_endo   -69.8   -16.4  Favored   7   8  0.15  11  0.27  molprobity     1  True   
224  224  ptpt      -61.8   -43.4  Favored  13   9  0.22  11  0.21  molprobity     1  True   
225  225  mtm180   -108.9   -24.2  Favored  13  11  0.16  14  0.25  molprobity     1  True   
226  226  OUTLIER  -117.9  -169.6  Allowed  13  11  0.16  14  0.26  molprobity     1  True   
227  227  m-85     -115.6   131.4  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
228  228  OUTLIER   -60.3   144.2  Favored  13  11  0.15  14  0.26  molprobity     ?  False  
229  229  m-85      -89.4   -70.6  Allowed   9  12  0.34  16  0.23  molprobity     ?  False  
230  230  t          36.9    42.8  Allowed   7   7  0.22  10  0.56  molprobity     ?  False  
231  231  ?         -48.3   -40.1  Favored   5   5  0.15   7  0.23  molprobity     ?  False  
232  232  t-20     -175.4   120.5  Allowed   6   8  0.23  11  0.29  molprobity     ?  False  
233  233  mp        -72.9   167.9  Favored  11   8  0.18  11  0.24  molprobity     ?  False  
234  234  m             ?       ?  ?         5   5  0.17   5  0.18  molprobity     ?  False  
235  235  m             ?       ?  ?        11   7  0.15  10  0.46  molprobity     ?  False  
236  236  OUTLIER   -62.8   -40.3  Favored  11   8  0.18  11  0.25  molprobity     1  True   
237  237  mt-10     -58.0   -22.4  Favored   6   9  0.21  12  0.26  molprobity     1  True   
238  238  mmtp      -86.2   -35.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
239  239  m95       -76.7   -31.2  Favored  10  16  0.16  23  0.18  molprobity     1  True   
240  240  ttp85     -76.0   -23.6  Favored  13  11  0.15  14  0.26  molprobity     1  True   
241  241  m-80      -92.4   -25.1  Favored   6   8  0.23  11  0.30  molprobity     1  True   
242  242  mt        -68.9   -36.2  Favored  11   8  0.20  11  0.25  molprobity     1  True   
243  243  m         -56.9   -24.5  Favored   5   6  0.17   8  0.32  molprobity     1  True   
244  244  ?         -66.5   -12.0  Favored   3   4  0.23   5  0.22  molprobity     1  True   
245  245  t        -122.6   -37.5  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
246  246  t         -69.0   -16.1  Favored   9   7  0.17  10  0.46  molprobity     1  True   
247  247  mptt     -129.9    36.9  Favored  13   9  0.22  11  0.21  molprobity     1  True   
248  248  t30      -119.3    66.2  Favored   6   8  0.21  12  0.58  molprobity     1  True   
249  249  Cg_endo   -69.8    -6.4  Favored   7   8  0.14  11  0.28  molprobity     1  True   
250  250  ptpm?     -73.3   -42.1  Favored  13   9  0.22  11  0.21  molprobity     1  True   
251  251  tpt180   -118.9   -12.1  Favored  13  11  0.15  14  0.26  molprobity     1  True   
252  252  mtm-85   -135.3    95.3  Favored  13  11  0.15  14  0.25  molprobity     1  True   
253  253  m-85      -48.9   137.3  Favored   9  12  0.34  16  0.23  molprobity     ?  False  
254  254  OUTLIER   -51.2   164.3  Allowed  13  11  0.17  14  0.25  molprobity     ?  False  
255  255  m-85      -94.5   -70.7  Allowed   9  12  0.33  16  0.22  molprobity     ?  False  
256  256  p          44.4    35.5  Allowed   7   7  0.23  10  0.55  molprobity     ?  False  
257  257  ?         -46.5   -38.3  Favored   5   5  0.14   7  0.24  molprobity     ?  False  
258  258  t-20      -85.6   152.0  Favored   6   8  0.22  11  0.29  molprobity     ?  False  
259  259  tp        -99.1   116.8  Favored  11   8  0.18  11  0.25  molprobity     ?  False  
260  260  t             ?       ?  ?         5   5  0.16   5  0.19  molprobity     ?  False  
261  261  m             ?       ?  ?        11   7  0.16  10  0.46  molprobity     ?  False  
262  262  OUTLIER   -59.5   -51.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
263  263  OUTLIER   -56.6   -26.1  Favored   6   9  0.19  12  0.26  molprobity     1  True   
264  264  OUTLIER   -76.2   -23.0  Favored  13   9  0.24  11  0.21  molprobity     1  True   
265  265  m95       -89.0   -27.8  Favored  10  16  0.14  23  0.18  molprobity     1  True   
266  266  tpp180    -84.3   -20.9  Favored  13  11  0.15  14  0.27  molprobity     1  True   
267  267  m-80      -95.3   -21.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
268  268  mt        -78.1   -37.2  Favored  11   8  0.20  11  0.24  molprobity     1  True   
269  269  m         -58.3   -22.6  Favored   5   6  0.15   8  0.31  molprobity     1  True   
270  270  ?         -77.4    -1.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
271  271  t        -119.5   -29.9  Allowed   9   7  0.14  10  0.45  molprobity     1  True   
272  272  p         -74.4   -28.9  Favored   9   7  0.16  10  0.45  molprobity     1  True   
273  273  mtpm?    -123.5    48.1  Allowed  13   9  0.22  11  0.21  molprobity     1  True   
274  274  t30      -136.7    67.8  Favored   6   8  0.20  12  0.58  molprobity     1  True   
275  275  Cg_endo   -69.7   -10.6  Favored   7   8  0.14  11  0.27  molprobity     1  True   
276  276  ptmt      -70.0   -34.6  Favored  13   9  0.22  11  0.21  molprobity     1  True   
277  277  OUTLIER  -117.7   -25.0  Favored  13  11  0.16  14  0.25  molprobity     1  True   
278  278  mmm180    -92.5  -169.8  Favored  13  11  0.16  14  0.24  molprobity     1  True   
279  279  m-85     -110.6   167.8  Favored   9  12  0.35  16  0.22  molprobity     ?  False  
280  280  OUTLIER   -51.0   162.6  Allowed  13  11  0.16  14  0.26  molprobity     ?  False  
281  281  m-85     -136.1   -77.2  Allowed   9  12  0.35  16  0.22  molprobity     ?  False  
282  282  p          44.9    35.5  Allowed   7   7  0.22  10  0.55  molprobity     ?  False  
283  283  ?         -47.3   -35.6  Favored   5   5  0.15   7  0.24  molprobity     ?  False  
284  284  m120     -135.9    91.1  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
285  285  tp        -73.3    84.1  Allowed  11   8  0.18  11  0.25  molprobity     ?  False  
286  286  p             ?       ?  ?         5   5  0.16   5  0.17  molprobity     ?  False  
287  287  p             ?       ?  ?        11   7  0.17  10  0.46  molprobity     ?  False  
288  288  OUTLIER   -75.4   -34.3  Favored  11   8  0.19  11  0.23  molprobity     1  True   
289  289  mt-10     -57.7   -22.4  Favored   6   9  0.20  12  0.26  molprobity     1  True   
290  290  mmtt      -83.7   -35.1  Favored  13   9  0.23  11  0.21  molprobity     1  True   
291  291  m95       -78.4   -31.2  Favored  10  16  0.15  23  0.18  molprobity     1  True   
292  292  ttp180    -78.4   -22.2  Favored  13  11  0.15  14  0.25  molprobity     1  True   
293  293  m-80      -90.3   -26.9  Favored   6   8  0.22  11  0.28  molprobity     1  True   
294  294  mt        -75.3   -46.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
295  295  m         -57.2   -25.7  Favored   5   6  0.17   8  0.32  molprobity     1  True   
296  296  ?         -69.2   -15.7  Favored   3   4  0.24   5  0.22  molprobity     1  True   
297  297  t        -120.9   -20.3  Favored   9   7  0.14  10  0.46  molprobity     1  True   
298  298  t         -95.6   -25.4  Favored   9   7  0.15  10  0.45  molprobity     1  True   
299  299  mttp     -114.6    22.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
300  300  t30      -118.5    76.8  Favored   6   8  0.21  12  0.58  molprobity     1  True   
301  301  Cg_endo   -69.8    -6.5  Favored   7   8  0.15  11  0.28  molprobity     1  True   
302  302  mttp      -67.7   -47.2  Favored  13   9  0.23  11  0.21  molprobity     1  True   
303  303  tpm_?    -113.3   -16.3  Favored  13  11  0.15  14  0.26  molprobity     1  True   
304  304  mmm180   -105.1  -169.8  Allowed  13  11  0.15  14  0.26  molprobity     1  True   
305  305  m-85     -132.0   132.0  Favored   9  12  0.33  16  0.23  molprobity     ?  False  
306  306  OUTLIER   -56.2   134.5  Favored  13  11  0.16  14  0.25  molprobity     ?  False  
307  307  m-85      -88.6   -71.3  Allowed   9  12  0.35  16  0.22  molprobity     ?  False  
308  308  p          44.5    35.6  Allowed   7   7  0.22  10  0.55  molprobity     ?  False  
309  309  ?         -46.5   -38.6  Favored   5   5  0.13   7  0.25  molprobity     ?  False  
310  310  t30      -109.3    95.1  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
311  311  tp        -60.7   -46.9  Favored  11   8  0.18  11  0.24  molprobity     ?  False  
312  312  p             ?       ?  ?         5   5  0.14   5  0.18  molprobity     ?  False  
313  313  m             ?       ?  ?        11   7  0.16  10  0.45  molprobity     ?  False  
314  314  OUTLIER   -58.7   -51.4  Favored  11   8  0.19  11  0.24  molprobity     1  True   
315  315  pt-20     -56.5   -26.8  Favored   6   9  0.20  12  0.27  molprobity     1  True   
316  316  mmmp?     -75.8   -23.3  Favored  13   9  0.23  11  0.21  molprobity     1  True   
317  317  m95       -88.6   -29.2  Favored  10  16  0.14  23  0.18  molprobity     1  True   
318  318  ttm180    -83.8   -21.5  Favored  13  11  0.15  14  0.24  molprobity     1  True   
319  319  m-80      -92.5   -21.1  Favored   6   8  0.23  11  0.29  molprobity     1  True   
320  320  mt        -79.4   -37.9  Favored  11   8  0.19  11  0.24  molprobity     1  True   
321  321  m         -60.0   -20.8  Favored   5   6  0.17   8  0.31  molprobity     1  True   
322  322  ?         -70.5    -8.2  Favored   3   4  0.22   5  0.22  molprobity     1  True   
323  323  t        -126.8   -36.6  Allowed   9   7  0.13  10  0.46  molprobity     1  True   
324  324  t         -66.8   -14.8  Favored   9   7  0.15  10  0.46  molprobity     1  True   
325  325  mmtp     -131.2    27.9  Favored  13   9  0.21  11  0.21  molprobity     1  True   
326  326  t30      -112.9    77.2  Favored   6   8  0.20  12  0.58  molprobity     1  True   
327  327  Cg_endo   -69.8    -5.8  Favored   7   8  0.15  11  0.28  molprobity     1  True   
328  328  mmmt      -65.6   -48.2  Favored  13   9  0.21  11  0.21  molprobity     1  True   
329  329  tpt180   -116.6   -14.2  Favored  13  11  0.14  14  0.26  molprobity     1  True   
330  330  mmm180   -105.3  -169.7  Allowed  13  11  0.15  14  0.25  molprobity     1  True   
331  331  m-85     -107.3  -169.7  Allowed   9  12  0.33  16  0.21  molprobity     ?  False  
332  332  OUTLIER  -116.7    95.4  Favored  13  11  0.15  14  0.26  molprobity     ?  False  
333  333  p90      -117.1    87.9  Favored   9  12  0.34  16  0.23  molprobity     ?  False  
334  334  p         -83.6    -1.1  Favored   7   7  0.22  10  0.55  molprobity     ?  False  
335  335  ?          62.8    43.4  Favored   5   5  0.16   7  0.24  molprobity     ?  False  
336  336  t-20     -135.6   154.3  Favored   6   8  0.23  11  0.28  molprobity     ?  False  
337  337  pp       -124.6   164.1  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
338  338  m             ?       ?  ?         5   5  0.14   5  0.17  molprobity     ?  False  
339  339  p             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
340  340  OUTLIER   -73.0   -38.0  Favored  11   8  0.18  11  0.24  molprobity     1  True   
341  341  OUTLIER   -56.8   -23.9  Favored   6   9  0.20  12  0.26  molprobity     1  True   
342  342  OUTLIER   -81.2   -34.8  Favored  13   9  0.23  11  0.20  molprobity     1  True   
343  343  m95       -78.6   -27.5  Favored  10  16  0.14  23  0.17  molprobity     1  True   
344  344  ttp180    -79.7   -22.0  Favored  13  11  0.16  14  0.24  molprobity     1  True   
345  345  m-20      -95.7   -23.8  Favored   6   8  0.22  11  0.29  molprobity     1  True   
346  346  mp        -79.8   -59.6  Favored  11   8  0.20  11  0.24  molprobity     1  True   
347  347  m         -56.4   -32.1  Favored   5   6  0.17   8  0.31  molprobity     1  True   
348  348  ?         -65.7   -12.8  Favored   3   4  0.23   5  0.21  molprobity     1  True   
349  349  t        -116.2   -29.1  Favored   9   7  0.15  10  0.46  molprobity     1  True   
350  350  t         -81.4   -20.1  Favored   9   7  0.15  10  0.46  molprobity     1  True   
351  351  OUTLIER  -115.1    19.5  Favored  13   9  0.23  11  0.21  molprobity     1  True   
352  352  t30      -118.4    67.5  Favored   6   8  0.19  12  0.58  molprobity     1  True   
353  353  Cg_endo   -69.7    -8.7  Favored   7   8  0.16  11  0.28  molprobity     1  True   
354  354  ptpp?     -71.8   -36.9  Favored  13   9  0.23  11  0.20  molprobity     1  True   
355  355  OUTLIER  -117.2   -21.5  Favored  13  11  0.16  14  0.26  molprobity     1  True   
356  356  mmm180    -99.0  -169.5  Allowed  13  11  0.15  14  0.25  molprobity     1  True   
357  357  m-85     -115.1  -169.8  Allowed   9  12  0.34  16  0.23  molprobity     ?  False  
358  358  OUTLIER  -123.3   119.4  Favored  13  11  0.15  14  0.25  molprobity     ?  False  
359  359  OUTLIER  -118.4   -75.5  Allowed   9  12  0.33  16  0.22  molprobity     ?  False  
360  360  p          44.4    36.0  Allowed   7   7  0.21  10  0.55  molprobity     ?  False  
361  361  ?         -47.3   -36.0  Favored   5   5  0.15   7  0.24  molprobity     ?  False  
362  362  t-20       63.0    31.9  Favored   6   8  0.22  11  0.30  molprobity     ?  False  
363  363  pt?       -66.6  -179.1  Allowed  11   8  0.18  11  0.25  molprobity     ?  False  
364  364  t             ?       ?  ?         5   5  0.14   5  0.17  molprobity     ?  False  
365  365  p             ?       ?  ?        11   7  0.15  10  0.46  molprobity     ?  False  
366  366  OUTLIER  -139.4   -47.0  Allowed  11   8  0.19  11  0.23  molprobity     1  True   
367  367  mt-10     -56.1   -23.1  Favored   6   9  0.22  12  0.26  molprobity     1  True   
368  368  mmtp      -78.5   -35.8  Favored  13   9  0.23  11  0.21  molprobity     1  True   
369  369  m95       -75.0   -33.4  Favored  10  16  0.15  23  0.18  molprobity     1  True   
370  370  ttp85     -73.1   -26.5  Favored  13  11  0.14  14  0.26  molprobity     1  True   
371  371  m-80      -90.3   -25.1  Favored   6   8  0.22  11  0.29  molprobity     1  True   
372  372  OUTLIER   -61.0   -46.6  Favored  11   8  0.19  11  0.24  molprobity     1  True   
373  373  m         -60.7   -19.4  Favored   5   6  0.16   8  0.31  molprobity     1  True   
374  374  ?         -78.1    -0.7  Favored   3   4  0.23   5  0.22  molprobity     1  True   
375  375  t        -123.0   -34.5  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
376  376  p         -65.3   -29.1  Favored   9   7  0.16  10  0.46  molprobity     1  True   
377  377  mmmt     -133.3    59.2  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
378  378  t30      -139.4    64.5  Favored   6   8  0.21  12  0.58  molprobity     1  True   
379  379  Cg_endo   -69.7    -8.6  Favored   7   8  0.16  11  0.28  molprobity     1  True   
380  380  ptpp?     -70.6   -42.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
381  381  mmt180   -107.9   -23.3  Favored  13  11  0.15  14  0.25  molprobity     1  True   
382  382  mtp85    -120.8  -175.5  Favored  13  11  0.16  14  0.25  molprobity     1  True   
383  383  p90       -83.3  -175.1  Favored   9  12  0.34  16  0.22  molprobity     ?  False  
384  384  OUTLIER  -109.0   160.4  Favored  13  11  0.16  14  0.25  molprobity     ?  False  
385  385  m-85     -105.9    47.8  Allowed   9  12  0.33  16  0.23  molprobity     ?  False  
386  386  p         -80.9    52.4  Allowed   7   7  0.22  10  0.56  molprobity     ?  False  
387  387  ?         -47.1   -47.2  Favored   5   5  0.13   7  0.24  molprobity     ?  False  
388  388  m120      -84.3   130.1  Favored   6   8  0.23  11  0.30  molprobity     ?  False  
389  389  mt       -112.6   167.0  Favored  11   8  0.18  11  0.24  molprobity     ?  False  
390  390  t             ?       ?  ?         5   5  0.14   5  0.17  molprobity     ?  False  
391  391  p             ?       ?  ?        11   7  0.16  10  0.45  molprobity     ?  False  
392  392  OUTLIER   -73.0   -35.7  Favored  11   8  0.18  11  0.24  molprobity     1  True   
393  393  mm-40     -57.3   -22.8  Favored   6   9  0.19  12  0.27  molprobity     1  True   
394  394  mptp?     -82.8   -34.6  Favored  13   9  0.23  11  0.21  molprobity     1  True   
395  395  m95       -79.0   -29.8  Favored  10  16  0.15  23  0.18  molprobity     1  True   
396  396  ttp85     -79.7   -21.5  Favored  13  11  0.15  14  0.26  molprobity     1  True   
397  397  m-80      -93.7   -25.2  Favored   6   8  0.22  11  0.29  molprobity     1  True   
398  398  mt        -78.5   -51.6  Favored  11   8  0.20  11  0.24  molprobity     1  True   
399  399  m         -52.5   -34.0  Favored   5   6  0.16   8  0.32  molprobity     1  True   
400  400  ?         -58.5   -21.3  Favored   3   4  0.24   5  0.22  molprobity     1  True   
401  401  t        -105.6   -36.2  Favored   9   7  0.14  10  0.46  molprobity     1  True   
402  402  t         -50.6   -65.7  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
403  403  ttpm?    -108.2    82.7  Allowed  13   9  0.22  11  0.20  molprobity     1  True   
404  404  t30      -153.3    70.0  Favored   6   8  0.21  12  0.58  molprobity     1  True   
405  405  Cg_endo   -69.8    -7.3  Favored   7   8  0.14  11  0.28  molprobity     1  True   
406  406  ptpt      -74.7   -34.1  Favored  13   9  0.24  11  0.21  molprobity     1  True   
407  407  tpt180   -117.7   -22.5  Favored  13  11  0.16  14  0.26  molprobity     1  True   
408  408  mtp85    -132.6    96.4  Favored  13  11  0.17  14  0.26  molprobity     1  True   
409  409  m-85      -49.5   165.7  Allowed   9  12  0.34  16  0.22  molprobity     ?  False  
410  410  OUTLIER   -51.2   169.1  Allowed  13  11  0.15  14  0.26  molprobity     ?  False  
411  411  m-85     -106.6    47.2  Allowed   9  12  0.32  16  0.23  molprobity     ?  False  
412  412  p         -82.1    52.4  Allowed   7   7  0.23  10  0.55  molprobity     ?  False  
413  413  ?         -46.9   -39.5  Favored   5   5  0.13   7  0.24  molprobity     ?  False  
414  414  m120      -98.8   146.1  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
415  415  tt       -112.8    87.3  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
416  416  p             ?       ?  ?         5   5  0.17   5  0.19  molprobity     ?  False  
417  417  p             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
418  418  OUTLIER   -70.2   -44.8  Favored  11   8  0.18  11  0.24  molprobity     1  True   
419  419  pt-20     -55.4   -29.2  Favored   6   9  0.21  12  0.26  molprobity     1  True   
420  420  mmtm      -71.7   -25.5  Favored  13   9  0.21  11  0.22  molprobity     1  True   
421  421  m95       -88.3   -27.6  Favored  10  16  0.16  23  0.18  molprobity     1  True   
422  422  ttp180    -85.1   -19.6  Favored  13  11  0.15  14  0.25  molprobity     1  True   
423  423  m-80      -94.9   -20.8  Favored   6   8  0.22  11  0.29  molprobity     1  True   
424  424  mp        -76.9   -56.5  Favored  11   8  0.20  11  0.24  molprobity     1  True   
425  425  m         -53.4   -28.9  Favored   5   6  0.16   8  0.31  molprobity     1  True   
426  426  ?         -62.5   -15.7  Favored   3   4  0.22   5  0.22  molprobity     1  True   
427  427  t        -122.0   -36.0  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
428  428  t         -56.4   -24.4  Favored   9   7  0.16  10  0.46  molprobity     1  True   
429  429  mtpp     -147.4    71.4  Allowed  13   9  0.23  11  0.20  molprobity     1  True   
430  430  t30      -144.4    66.4  Favored   6   8  0.21  12  0.58  molprobity     1  True   
431  431  Cg_endo   -69.7    -8.6  Favored   7   8  0.15  11  0.28  molprobity     1  True   
432  432  OUTLIER   -71.8   -41.5  Favored  13   9  0.22  11  0.21  molprobity     1  True   
433  433  tpm_?    -110.8   -19.6  Favored  13  11  0.17  14  0.27  molprobity     1  True   
434  434  mtp85    -122.5  -176.1  Favored  13  11  0.15  14  0.24  molprobity     1  True   
435  435  m-85      -87.1   165.9  Favored   9  12  0.34  16  0.22  molprobity     ?  False  
436  436  OUTLIER   -96.0    29.4  Favored  13  11  0.15  14  0.26  molprobity     ?  False  
437  437  m-85       50.2    49.9  Favored   9  12  0.33  16  0.24  molprobity     ?  False  
438  438  p         -83.3    51.3  Allowed   7   7  0.22  10  0.55  molprobity     ?  False  
439  439  ?         -46.2   -42.6  Favored   5   5  0.15   7  0.23  molprobity     ?  False  
440  440  m120     -112.8   118.6  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
441  441  OUTLIER   -91.7    89.8  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
442  442  p             ?       ?  ?         5   5  0.16   5  0.17  molprobity     ?  False  
443  443  p             ?       ?  ?        11   7  0.17  10  0.46  molprobity     ?  False  
444  444  tt        -83.2   -23.1  Favored  11   8  0.18  11  0.24  molprobity     1  True   
445  445  OUTLIER   -56.5   -22.6  Favored   6   9  0.20  12  0.26  molprobity     1  True   
446  446  mmmm      -90.7   -31.7  Favored  13   9  0.24  11  0.21  molprobity     1  True   
447  447  m95       -81.1   -22.4  Favored  10  16  0.15  23  0.18  molprobity     1  True   
448  448  ttm-85    -83.8   -18.9  Favored  13  11  0.16  14  0.25  molprobity     1  True   
449  449  m-20      -97.2   -23.3  Favored   6   8  0.23  11  0.29  molprobity     1  True   
450  450  OUTLIER   -65.3   -49.4  Favored  11   8  0.20  11  0.24  molprobity     1  True   
451  451  m         -60.3   -20.0  Favored   5   6  0.17   8  0.31  molprobity     1  True   
452  452  ?         -77.4    -1.4  Favored   3   4  0.22   5  0.22  molprobity     1  True   
453  453  t        -120.6   -34.3  Allowed   9   7  0.15  10  0.45  molprobity     1  True   
454  454  p         -66.8   -30.3  Favored   9   7  0.15  10  0.46  molprobity     1  True   
455  455  mttm     -115.1    35.0  Favored  13   9  0.21  11  0.21  molprobity     1  True   
456  456  t30      -120.5    64.9  Favored   6   8  0.20  12  0.58  molprobity     1  True   
457  457  Cg_endo   -69.8   -18.2  Favored   7   8  0.16  11  0.27  molprobity     1  True   
458  458  ptmt      -55.4   -45.4  Favored  13   9  0.23  11  0.21  molprobity     1  True   
459  459  OUTLIER  -116.5   -20.5  Favored  13  11  0.16  14  0.24  molprobity     1  True   
460  460  mtp85    -129.4    84.0  Favored  13  11  0.15  14  0.26  molprobity     1  True   
461  461  p90       -50.2   154.6  Allowed   9  12  0.34  16  0.22  molprobity     ?  False  
462  462  OUTLIER   -51.4   156.0  Allowed  13  11  0.16  14  0.25  molprobity     ?  False  
463  463  m-85      -98.5   -71.0  Allowed   9  12  0.34  16  0.22  molprobity     ?  False  
464  464  p          44.5    35.5  Allowed   7   7  0.22  10  0.55  molprobity     ?  False  
465  465  ?         -46.5   -35.8  Favored   5   5  0.14   7  0.25  molprobity     ?  False  
466  466  m120     -136.9  -176.6  Favored   6   8  0.24  11  0.29  molprobity     ?  False  
467  467  tp        -87.8    96.6  Favored  11   8  0.18  11  0.25  molprobity     ?  False  
468  468  t             ?       ?  ?         5   5  0.16   5  0.17  molprobity     ?  False  
469  469  t             ?       ?  ?        11   7  0.16  10  0.46  molprobity     ?  False  
470  470  OUTLIER   -69.2   -44.8  Favored  11   8  0.19  11  0.24  molprobity     1  True   
471  471  pt-20     -55.0   -30.5  Favored   6   9  0.19  12  0.27  molprobity     1  True   
472  472  tppt?     -70.6   -26.0  Favored  13   9  0.24  11  0.20  molprobity     1  True   
473  473  m95       -88.5   -27.3  Favored  10  16  0.15  23  0.17  molprobity     1  True   
474  474  tpp180    -85.2   -19.0  Favored  13  11  0.14  14  0.26  molprobity     1  True   
475  475  m-20      -94.6   -20.4  Favored   6   8  0.24  11  0.29  molprobity     1  True   
476  476  mt        -79.7   -37.0  Favored  11   8  0.20  11  0.25  molprobity     1  True   
477  477  m         -57.7   -23.3  Favored   5   6  0.19   8  0.31  molprobity     1  True   
478  478  ?         -70.0    -8.7  Favored   3   4  0.22   5  0.21  molprobity     1  True   
479  479  t        -124.7   -36.4  Allowed   9   7  0.14  10  0.46  molprobity     1  True   
480  480  t         -69.2   -11.5  Favored   9   7  0.16  10  0.45  molprobity     1  True   
481  481  mtmp?    -132.3    27.5  Favored  13   9  0.23  11  0.19  molprobity     1  True   
482  482  t30      -120.0    71.8  Favored   6   8  0.21  12  0.57  molprobity     1  True   
483  483  Cg_endo   -69.7    -4.7  Favored   7   8  0.14  11  0.28  molprobity     1  True   
484  484  mmtm      -66.6   -46.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
485  485  mpt_?    -117.8   -15.9  Favored  13  11  0.15  14  0.26  molprobity     1  True   
486  486  mmm180    -99.9  -169.9  Allowed  13  11  0.15  14  0.27  molprobity     1  True   
487  487  m-85     -121.5   123.4  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
488  488  OUTLIER   -50.1   161.1  Allowed  13  11  0.17  14  0.27  molprobity     ?  False  
489  489  m-85     -121.3    70.6  Allowed   9  12  0.34  16  0.21  molprobity     ?  False  
490  490  t         -51.8   -27.1  Favored   7   7  0.22  10  0.56  molprobity     ?  False  
491  491  ?          64.5    25.2  Favored   5   5  0.14   7  0.24  molprobity     ?  False  
492  492  t-20     -139.6   127.3  Favored   6   8  0.24  11  0.28  molprobity     ?  False  
493  493  pp        -72.1   142.7  Favored  11   8  0.19  11  0.24  molprobity     ?  False  
494  494  t             ?       ?  ?         5   5  0.16   5  0.17  molprobity     ?  False  
495  495  t             ?       ?  ?        11   7  0.17  10  0.45  molprobity     ?  False  
496  496  OUTLIER   -63.6   -36.9  Favored  11   8  0.18  11  0.25  molprobity     1  True   
497  497  mt-10     -56.3   -24.5  Favored   6   9  0.20  12  0.27  molprobity     1  True   
498  498  mmtt      -81.6   -36.1  Favored  13   9  0.23  11  0.20  molprobity     1  True   
499  499  m95       -77.3   -30.3  Favored  10  16  0.13  23  0.18  molprobity     1  True   
500  500  ttm105    -78.1   -22.9  Favored  13  11  0.13  14  0.25  molprobity     1  True   
501  501  m-80      -92.4   -25.6  Favored   6   8  0.23  11  0.29  molprobity     1  True   
502  502  mt        -72.8   -35.1  Favored  11   8  0.19  11  0.24  molprobity     1  True   
503  503  m         -61.7   -18.5  Favored   5   6  0.16   8  0.31  molprobity     1  True   
504  504  ?         -76.8    -1.7  Favored   3   4  0.23   5  0.21  molprobity     1  True   
505  505  t        -121.8   -36.5  Allowed   9   7  0.16  10  0.45  molprobity     1  True   
506  506  p         -62.5   -29.7  Favored   9   7  0.15  10  0.45  molprobity     1  True   
507  507  OUTLIER  -131.7    54.0  Allowed  13   9  0.21  11  0.20  molprobity     1  True   
508  508  t30      -113.6    74.4  Favored   6   8  0.19  12  0.57  molprobity     1  True   
509  509  Cg_endo   -69.8    -7.5  Favored   7   8  0.15  11  0.28  molprobity     1  True   
510  510  mttp      -62.3   -51.7  Favored  13   9  0.22  11  0.21  molprobity     1  True   
511  511  OUTLIER  -136.9    11.2  Favored  13  11  0.15  14  0.26  molprobity     1  True   
512  512  OUTLIER  -138.8  -179.0  Favored  13  11  0.16  14  0.25  molprobity     1  True   
513  513  m-85     -120.8   133.9  Favored   9  12  0.33  16  0.22  molprobity     ?  False  
514  514  OUTLIER   -61.1   146.3  Favored  13  11  0.16  14  0.25  molprobity     ?  False  
515  515  m-85      -92.8   -71.7  Allowed   9  12  0.35  16  0.23  molprobity     ?  False  
516  516  t          37.0    43.0  Allowed   7   7  0.23  10  0.56  molprobity     ?  False  
517  517  ?         -48.5   -34.8  Favored   5   5  0.15   7  0.23  molprobity     ?  False  
518  518  p-10      -90.2   163.0  Favored   6   8  0.23  11  0.29  molprobity     ?  False  
519  519  mt       -102.0   -50.9  Favored  11   8  0.18  11  0.25  molprobity     ?  False  
520  520  m             ?       ?  ?         5   5  0.14   5  0.17  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    1  HG12   1  0.54  2.17  
  2    5  NE1    1  0.54  2.17  
  3   11  HG13   2  0.53  1.79  
  4   11  HG13   3  0.40  2.45  
  5   18  HD3    2  0.53  1.79  
  6   18  CD     3  0.40  2.45  
  7   27  HG22   4  0.48  2.23  
  8   27  HG22   5  0.43  2.48  
  9   31  NE1    4  0.48  2.23  
 10   31  CE2    5  0.43  2.48  
 11   54  O      6  0.44  2.13  
 12   54  HD13   6  0.44  2.13  
 13   61  HA     7  0.42  1.92  
 14   64  HG12   7  0.42  1.92  
 15   89  HG13   8  0.60  2.26  
 16   89  HG13   9  0.52  1.81  
 17   96  CD     8  0.60  2.26  
 18   96  HD3    9  0.52  1.81  
 19  105  HG13  10  0.44  1.73  
 20  109  HE1   10  0.44  1.73  
 21  113  HA    11  0.41  1.92  
 22  115  HG13  12  0.61  2.25  
 23  115  HG13  13  0.60  1.73  
 24  116  HG12  11  0.41  1.92  
 25  122  CD    12  0.61  2.25  
 26  122  HD3   13  0.60  1.73  
 27  132  O     14  0.48  2.09  
 28  132  HD13  14  0.48  2.09  
 29  141  HG13  15  0.53  1.79  
 30  148  HG2   15  0.53  1.79  
 31  157  HG23  16  0.51  2.21  
 32  157  HG23  17  0.45  1.69  
 33  161  NE1   16  0.51  2.21  
 34  161  HE1   17  0.45  1.69  
 35  165  HA    18  0.48  1.85  
 36  167  HG13  19  0.54  2.18  
 37  168  HG12  18  0.48  1.85  
 38  174  NE    19  0.54  2.18  
 39  184  HD12  20  0.43  2.29  
 40  186  O     21  0.55  2.00  
 41  188  NH2   20  0.43  2.29  
 42  190  HD13  21  0.55  2.00  
 43  191  HA    22  0.40  1.92  
 44  194  HG12  22  0.40  1.92  
 45  210  O     23  0.50  2.06  
 46  210  HD13  23  0.50  2.06  
 47  217  HA    24  0.42  1.92  
 48  219  HG13  25  0.50  1.84  
 49  220  HG12  24  0.42  1.92  
 50  226  HD3   25  0.50  1.84  
 51  229  O     26  0.42  2.59  
 52  230  C     26  0.42  2.59  
 53  245  HG13  27  0.60  2.12  
 54  245  HG13  28  0.57  2.30  
 55  245  HG13  29  0.51  1.83  
 56  252  NE    27  0.60  2.12  
 57  252  CD    28  0.57  2.30  
 58  252  HD2   29  0.51  1.83  
 59  269  HA    30  0.42  1.91  
 60  271  HG13  31  0.49  2.22  
 61  272  HG12  30  0.42  1.91  
 62  278  NE    31  0.49  2.22  
 63  313  HG23  32  0.52  2.20  
 64  313  HG23  33  0.46  1.69  
 65  317  NE1   32  0.52  2.20  
 66  317  HE1   33  0.46  1.69  
 67  320  O     34  0.47  2.10  
 68  324  HG23  34  0.47  2.10  
 69  340  O     35  0.50  2.06  
 70  340  HD13  35  0.50  2.06  
 71  342  O     36  0.44  2.13  
 72  346  HD13  36  0.44  2.13  
 73  349  HG13  37  0.50  2.21  
 74  356  NE    37  0.50  2.21  
 75  373  HA    38  0.40  1.92  
 76  375  HG13  39  0.60  2.25  
 77  375  HG13  40  0.57  1.77  
 78  376  HG12  38  0.40  1.92  
 79  382  CD    39  0.60  2.25  
 80  382  HD3   40  0.57  1.77  
 81  401  HG13  41  0.55  2.32  
 82  401  HG13  42  0.52  1.80  
 83  408  CD    41  0.55  2.32  
 84  408  HD3   42  0.52  1.80  
 85  420  O     43  0.56  2.00  
 86  424  HD13  43  0.56  2.00  
 87  424  O     44  0.48  2.08  
 88  427  HG13  45  0.60  2.26  
 89  427  HG13  46  0.54  1.79  
 90  428  HG23  44  0.48  2.08  
 91  434  CD    45  0.60  2.26  
 92  434  HD3   46  0.54  1.79  
 93  436  HG2   47  0.59  1.72  
 94  436  CG    48  0.52  2.35  
 95  438  HG23  47  0.59  1.72  
 96  438  HG23  48  0.52  2.35  
 97  451  HA    49  0.42  1.92  
 98  453  HG13  50  0.59  1.72  
 99  453  HG13  51  0.40  2.45  
100  454  HG12  49  0.42  1.92  
101  460  HD3   50  0.59  1.72  
102  460  CD    51  0.40  2.45  
103  476  O     52  0.43  2.13  
104  479  HG13  53  0.45  2.26  
105  480  HG23  52  0.43  2.13  
106  486  NE    53  0.45  2.26  
107  493  O     54  0.41  2.16  
108  493  HD12  54  0.41  2.16  
109  495  HG12  55  0.44  2.27  
110  496  O     56  0.47  2.08  
111  496  HD13  56  0.47  2.08  
112  499  NE1   55  0.44  2.27  
113  505  HG13  57  0.47  2.40  
114  512  CD    57  0.47  2.40  
115  515  O     58  0.41  2.59  
116  516  C     58  0.41  2.59  
#
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  1        ?     
 4  outlier  ?     
 5  1        ?     
 6  outlier  ?     
 7  1        ?     
 8  1        True  
 9  1        ?     
10  2        ?     
11  1        ?     
12  4        True  
13  2        True  
14  outlier  ?     
15  1        ?     
16  3        ?     
17  3        True  
18  1        ?     
19  2        ?     
20  outlier  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  17
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.460
_pdbx_vrpt_cyrange_domain.medoid_model        8
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.511
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:18
#
_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           206
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           206
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            206
_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  VAL   1  0.165  
 2  A  LEU   2  0.151  
 3  A  GLU   3  0.128  
 4  A  LYS   4  0.090  
 5  A  TRP   5  0.072  
 6  A  ARG   6  0.062  
 7  A  ASN   7  0.055  
 8  A  LEU   8  0.041  
 9  A  CYS   9  0.030  
10  A  GLY  10  0.031  
11  A  VAL  11  0.049  
12  A  VAL  12  0.075  
13  A  LYS  13  0.144  
14  A  ASN  14  0.187  
15  A  PRO  15  0.216  
16  A  LYS  16  0.196  
17  A  ARG  17  0.221  
18  A  ARG  18  0.272  
19  A  PHE  19  0.346  
20  A  ARG  20  0.393  
21  A  PHE  21  0.426  
22  A  THR  22  0.450  
23  A  ALA  23  0.468  
24  A  ASN  24  0.498  
25  A  LEU  25  0.516  
26  A  SER  26  0.533  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00  0  
2  CA  0.50  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1    0    4    4  stereomethyl  stereomethyl  
 2  135  136  271  overall       Total         
 3   34   50   84  backbone      Total         
 4   95   80  175  sidechain     Total         
 5    6    6   12  aromatic      Total         
 6  135   16  151  overall       H             
 7   34    0   34  backbone      H             
 8   95   16  111  sidechain     H             
 9    6    0    6  aromatic      H             
10    0   89   89  overall       C             
11    0   34   34  backbone      C             
12    0   50   50  sidechain     C             
13    0    5    5  aromatic      C             
14    0   31   31  overall       N             
15    0   16   16  backbone      N             
16    0   14   14  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0    6    6  stereomethyl  stereomethyl  
 2  199  204  403  overall       Total         
 3   51   78  129  backbone      Total         
 4  134  108  242  sidechain     Total         
 5   14   18   32  aromatic      Total         
 6  199   24  223  overall       H             
 7   51    1   52  backbone      H             
 8  134   21  155  sidechain     H             
 9   14    2   16  aromatic      H             
10    0  136  136  overall       C             
11    0   52   52  backbone      C             
12    0   69   69  sidechain     C             
13    0   15   15  aromatic      C             
14    0   44   44  overall       N             
15    0   25   25  backbone      N             
16    0   18   18  sidechain     N             
17    0    1    1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     298  
 2  "Intra-residue (|i-j|=0)"                        96  
 3  "Sequential (|i-j|=1)"                           73  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            119  
 5  "Long range (|i-j|>=5)"                          10  
 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"                   4  
11  "Number of restraints per residue"             11.5  
12  "Number of long range restraints per residue"   0.4  
#
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                  96   32.2  0  0.0  0.0   2  0.7   2.1  
 2  Intra-residue  BackboneBackbone      1    0.3  0  0.0  0.0   0  0.0   0.0  
 3  Intra-residue  BackboneSidechain    80   26.8  0  0.0  0.0   2  0.7   2.5  
 4  Intra-residue  SidechainSidechain   15    5.0  0  0.0  0.0   0  0.0   0.0  
 5  Sequential     all                  73   24.5  0  0.0  0.0   6  2.0   8.2  
 6  Sequential     BackboneBackbone     20    6.7  0  0.0  0.0   1  0.3   5.0  
 7  Sequential     BackboneSidechain    45   15.1  0  0.0  0.0   4  1.3   8.9  
 8  Sequential     SidechainSidechain    8    2.7  0  0.0  0.0   1  0.3  12.5  
 9  MediumRange    all                 119   39.9  0  0.0  0.0   3  1.0   2.5  
10  MediumRange    BackboneBackbone     23    7.7  0  0.0  0.0   1  0.3   4.3  
11  MediumRange    BackboneSidechain    57   19.1  0  0.0  0.0   2  0.7   3.5  
12  MediumRange    SidechainSidechain   39   13.1  0  0.0  0.0   0  0.0   0.0  
13  LongRange      all                  10    3.4  0  0.0  0.0   0  0.0   0.0  
14  LongRange      BackboneBackbone      0    0.0  0  0.0  0.0   0  0.0   0.0  
15  LongRange      BackboneSidechain     5    1.7  0  0.0  0.0   0  0.0   0.0  
16  LongRange      SidechainSidechain    5    1.7  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                 298  100.0  0  0.0  0.0  11  3.7   3.7  
24  Total          BackboneBackbone     44   14.8  0  0.0  0.0   2  0.7   4.5  
25  Total          BackboneSidechain   187   62.8  0  0.0  0.0   8  2.7   4.3  
26  Total          SidechainSidechain   67   22.5  0  0.0  0.0   1  0.3   1.5  
#
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  0.56  0.35  0.35  0.21  
 2   2  0.13  0.13  0.13  0.00  
 3   3  0.24  0.17  0.15  0.05  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.15  0.13  0.13  0.02  
 7   7  0.16  0.14  0.14  0.02  
 8   8  0.29  0.18  0.15  0.08  
 9   9  0.87  0.52  0.52  0.36  
10  10  0.82  0.53  0.53  0.29  
11  11  0.88  0.41  0.20  0.33  
12  12  0.90  0.42  0.23  0.34  
13  13  0.73  0.28  0.15  0.26  
14  14  0.94  0.57  0.57  0.37  
15  15  0.98  0.47  0.30  0.37  
16  16  0.62  0.28  0.21  0.18  
17  17  0.31  0.22  0.22  0.08  
18  18  0.88  0.41  0.24  0.33  
19  19  0.14  0.12  0.11  0.01  
20  20  0.70  0.33  0.16  0.26  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    1  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         2  
  7   2  intraresidue  1  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    2  
 15   3  medium        1  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         3  
 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    1  
 33   6  medium        1  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         2  
 37   7  intraresidue  1  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         2  
 43   8  intraresidue  0  
 44   8  sequential    1  
 45   8  medium        2  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         3  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        2  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         2  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        2  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         2  
 61  11  intraresidue  1  
 62  11  sequential    0  
 63  11  medium        2  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         3  
 67  12  intraresidue  0  
 68  12  sequential    1  
 69  12  medium        2  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         3  
 73  13  intraresidue  0  
 74  13  sequential    2  
 75  13  medium        2  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         4  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        2  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         2  
 85  15  intraresidue  0  
 86  15  sequential    1  
 87  15  medium        2  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         3  
 91  16  intraresidue  2  
 92  16  sequential    1  
 93  16  medium        2  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         5  
 97  17  intraresidue  0  
 98  17  sequential    2  
 99  17  medium        2  
100  17  long          0  
101  17  interchain    0  
102  17  total         4  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        3  
106  18  long          0  
107  18  interchain    0  
108  18  total         3  
109  19  intraresidue  0  
110  19  sequential    3  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         3  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        2  
118  20  long          0  
119  20  interchain    0  
120  20  total         3  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  1  
  2   1  sequential    4  
  3   1  medium        1  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         6  
  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  1  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         1  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 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    1  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         1  
 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        1  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        1  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 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_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  1.4  
2  0.2-0.5  0.3  0.5  
3  >0.5     1.0  0.6  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1   31  1  .  A  22  THR  ?     1  A  22  HG21  A  .  24  ASN  24  A  1  ?     H    14  0.69  0.77  0.25  
2  198  1  .  A  21  PHE  ?     1  A  21  HA    A  .  23  ALA  23  A  1  ?     HA   13  0.21  0.20  0.07  
3   61  1  .  A  21  PHE  ?     1  A  21  HB3   A  .  22  THR  22  A  1  ?     H     8  0.15  0.15  0.01  
4  270  1  .  A  16  LYS  ?     1  A  16  HG2   A  .  17  ARG  17  A  1  ?     H     5  0.13  0.14  0.01  
5  270  1  .  A  16  LYS  ?     1  A  16  HG3   A  .  17  ARG  17  A  1  ?     H     5  0.13  0.14  0.01  
6  286  1  .  A  20  ARG  ?     1  A  20  H     A  .  20  ARG  20  A  1  ?     HG2   4  0.14  0.14  0.01  
7  286  1  .  A  20  ARG  ?     1  A  20  H     A  .  20  ARG  20  A  1  ?     HG3   4  0.14  0.14  0.01  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1   31  1  386  388  HG21  H     0.98  
 2   31  1  360  362  HG21  H     0.94  
 3   31  1  308  310  HG21  H     0.90  
 4   31  1  282  284  HG21  H     0.88  
 5   31  1  464  466  HG21  H     0.88  
 6   31  1  230  232  HG21  H     0.87  
 7   31  1  256  258  HG21  H     0.82  
 8   31  1  334  336  HG21  H     0.73  
 9   31  1  516  518  HG21  H     0.70  
10   31  1  412  414  HG21  H     0.62  
11   31  1   22   24  HG21  H     0.56  
12  198  1  437  439  HA    HA    0.31  
13   31  1  438  440  HG21  H     0.30  
14  198  1  385  387  HA    HA    0.30  
15  198  1  411  413  HA    HA    0.30  
16   31  1  204  206  HG21  H     0.29  
17   31  1   74   76  HG21  H     0.24  
18  198  1  255  257  HA    HA    0.24  
19  198  1  463  465  HA    HA    0.24  
20  198  1  307  309  HA    HA    0.23  
21  252  1  403  403  H     HG2   0.21  
22  252  1  403  403  H     HG3   0.21  
23  198  1  281  283  HA    HA    0.20  
24  198  1  359  361  HA    HA    0.20  
25  286  1  176  176  H     HG2   0.16  
26  286  1  176  176  H     HG3   0.16  
27  198  1  229  231  HA    HA    0.16  
28  198  1  515  517  HA    HA    0.16  
29   86  1  436  437  HA    H     0.15  
30   61  1   73   74  HB3   H     0.15  
31   61  1  151  152  HB3   H     0.15  
32   61  1  203  204  HB3   H     0.15  
33   61  1  333  334  HB3   H     0.15  
34   61  1  411  412  HB3   H     0.15  
35  286  1  280  280  H     HG2   0.15  
36  286  1  280  280  H     HG3   0.15  
37  270  1  328  329  HG2   H     0.15  
38  270  1  328  329  HG3   H     0.15  
39   61  1   21   22  HB3   H     0.14  
40   61  1  437  438  HB3   H     0.14  
41  270  1  484  485  HG2   H     0.14  
42  270  1  484  485  HG3   H     0.14  
43  270  1  510  511  HG2   H     0.14  
44  270  1  510  511  HG3   H     0.14  
45   61  1  385  386  HB3   H     0.13  
46  286  1   46   46  H     HG2   0.13  
47  286  1   46   46  H     HG3   0.13  
48  286  1  410  410  H     HG2   0.13  
49  286  1  410  410  H     HG3   0.13  
50  270  1  302  303  HG2   H     0.13  
51  270  1  302  303  HG3   H     0.13  
52  147  1  456  458  HD21  HA    0.12  
53   63  1  177  178  HB2   H     0.11  
54  284  1  487  488  HB2   HA    0.11  
55  284  1  487  488  HB3   HA    0.11  
56  270  1   68   69  HG2   H     0.11  
57  270  1   68   69  HG3   H     0.11  
58  198  1  151  153  HA    HA    0.11  
59  198  1  203  205  HA    HA    0.11  
60  198  1  333  335  HA    HA    0.11  
61  119  1  489  490  HD1   HG21  0.11  
62  119  1  489  490  HD1   HG22  0.11  
63  119  1  489  490  HD1   HG23  0.11  
64  119  1  489  490  HD2   HG21  0.11  
65  119  1  489  490  HD2   HG22  0.11  
66  119  1  489  490  HD2   HG23  0.11  
#
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  
##
