data_2JT1

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2JT1   
BMRB  15386  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2JT1
_pdbx_vrpt_summary.PDB_deposition_date         2007-07-17
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:09:55
_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  "PefI protein"
#
_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  70.35  158937  ?     ?     
2  2  1  71.35   12864  ?     ?     
3  1  2  26.03  154571  ?     ?     
4  2  2  72.56   11451  ?     ?     
5  1  3  43.97  154315  ?     ?     
6  2  3  88.52   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    4.35  
 2  4  2  A   1  1  A    4.35  
 3  5  3  A   1  1  A   60.43  
 4  6  3  A   1  1  A   60.43  
 5  3  2  A   2  1  A   10.84  
 6  4  2  A   2  1  A   10.84  
 7  5  3  A   2  1  A   37.58  
 8  6  3  A   2  1  A   37.58  
 9  3  2  A   3  1  A    4.35  
10  4  2  A   3  1  A    4.35  
11  5  3  A   3  1  A   10.89  
12  6  3  A   3  1  A   10.89  
13  3  2  A   4  1  A   10.84  
14  4  2  A   4  1  A   10.84  
15  5  3  A   4  1  A   60.43  
16  6  3  A   4  1  A   60.43  
17  3  2  A   5  1  A   10.84  
18  4  2  A   5  1  A   10.84  
19  5  3  A   5  1  A   37.58  
20  6  3  A   5  1  A   37.58  
21  3  2  A   6  1  A    4.35  
22  4  2  A   6  1  A    4.35  
23  5  3  A   6  1  A   24.16  
24  6  3  A   6  1  A   24.16  
25  3  2  A   7  1  A    4.35  
26  4  2  A   7  1  A    4.35  
27  5  3  A   7  1  A   37.58  
28  6  3  A   7  1  A   37.58  
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   24.16  
32  6  3  A   8  1  A   24.16  
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   37.58  
36  6  3  A   9  1  A   37.58  
37  3  2  A  10  1  A    4.35  
38  4  2  A  10  1  A    4.35  
39  5  3  A  10  1  A   24.16  
40  6  3  A  10  1  A   24.16  
41  3  2  A  11  1  A    4.35  
42  4  2  A  11  1  A    4.35  
43  5  3  A  11  1  A   60.43  
44  6  3  A  11  1  A   60.43  
45  3  2  A  12  1  A    4.35  
46  4  2  A  12  1  A    4.35  
47  5  3  A  12  1  A   60.43  
48  6  3  A  12  1  A   60.43  
49  3  2  A  13  1  A    4.35  
50  4  2  A  13  1  A    4.35  
51  5  3  A  13  1  A   60.43  
52  6  3  A  13  1  A   60.43  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A   37.58  
56  6  3  A  14  1  A   37.58  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A   60.43  
60  6  3  A  15  1  A   60.43  
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   15.93  
64  6  3  A  16  1  A   15.93  
65  3  2  A  17  1  A   10.84  
66  4  2  A  17  1  A   10.84  
67  5  3  A  17  1  A   37.58  
68  6  3  A  17  1  A   37.58  
69  3  2  A  18  1  A   10.84  
70  4  2  A  18  1  A   10.84  
71  5  3  A  18  1  A   37.58  
72  6  3  A  18  1  A   37.58  
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   60.43  
76  6  3  A  19  1  A   60.43  
77  3  2  A  20  1  A    4.35  
78  4  2  A  20  1  A    4.35  
79  5  3  A  20  1  A   60.43  
80  6  3  A  20  1  A   60.43  
#
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  0.37  0.53  556  751  
 2   2  1  A  A  0.38  0.51  556  751  
 3   3  1  A  A  0.40  0.53  556  751  
 4   4  1  A  A  0.40  0.51  556  751  
 5   5  1  A  A  0.37  0.52  556  751  
 6   6  1  A  A  0.40  0.51  556  751  
 7   7  1  A  A  0.40  0.52  556  751  
 8   8  1  A  A  0.38  0.52  556  751  
 9   9  1  A  A  0.36  0.51  556  751  
10  10  1  A  A  0.40  0.52  556  751  
11  11  1  A  A  0.40  0.51  556  751  
12  12  1  A  A  0.39  0.51  556  751  
13  13  1  A  A  0.36  0.51  556  751  
14  14  1  A  A  0.38  0.51  556  751  
15  15  1  A  A  0.37  0.51  556  751  
16  16  1  A  A  0.39  0.52  556  751  
17  17  1  A  A  0.39  0.50  556  751  
18  18  1  A  A  0.39  0.52  556  751  
19  19  1  A  A  0.38  0.50  556  751  
20  20  1  A  A  0.37  0.52  556  751  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.69
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.67
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   3.04
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       3.33
_pdbx_vrpt_summary_geometry.clashscore                                 3.57
_pdbx_vrpt_summary_geometry.clashscore_full_length                     3.53
_pdbx_vrpt_summary_geometry.num_H_reduce                               11400
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             11120
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            15020
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.38
#
_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            20
_pdbx_vrpt_summary_nmr.medoid_model                             13
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              93.49
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  92.07
#
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  MET  A   1  .  ?        ?  
   2   1  1  A   2  SER  A   2  .  ?        ?  
   3   1  1  A   3  GLU  A   3  .  ?        1  
   4   1  1  A   4  SER  A   4  .  ?        ?  
   5   1  1  A   5  ILE  A   5  .  ?        1  
   6   1  1  A   6  VAL  A   6  .  ?        ?  
   7   1  1  A   7  THR  A   7  .  ?        ?  
   8   1  1  A   8  LYS  A   8  .  ?        ?  
   9   1  1  A   9  ILE  A   9  .  ?        ?  
  10   1  1  A  10  ILE  A  10  .  ?        ?  
  11   1  1  A  11  SER  A  11  .  ?        ?  
  12   1  1  A  12  ILE  A  12  .  ?        ?  
  13   1  1  A  13  VAL  A  13  .  ?        ?  
  14   1  1  A  14  GLN  A  14  .  ?        ?  
  15   1  1  A  15  GLU  A  15  .  ?        ?  
  16   1  1  A  16  ARG  A  16  .  ?        ?  
  17   1  1  A  17  GLN  A  17  .  ?        ?  
  18   1  1  A  18  ASN  A  18  .  ?        ?  
  19   1  1  A  19  MET  A  19  .  ?        ?  
  20   1  1  A  20  ASP  A  20  .  ?        ?  
  21   1  1  A  21  ASP  A  21  .  ?        ?  
  22   1  1  A  22  GLY  A  22  .  ?        ?  
  23   1  1  A  23  ALA  A  23  .  ?        ?  
  24   1  1  A  24  PRO  A  24  .  ?        ?  
  25   1  1  A  25  VAL  A  25  .  ?        ?  
  26   1  1  A  26  LYS  A  26  .  ?        2  
  27   1  1  A  27  THR  A  27  .  ?        ?  
  28   1  1  A  28  ARG  A  28  .  ?        ?  
  29   1  1  A  29  ASP  A  29  .  ?        ?  
  30   1  1  A  30  ILE  A  30  .  ?        ?  
  31   1  1  A  31  ALA  A  31  .  ?        ?  
  32   1  1  A  32  ASP  A  32  .  ?        ?  
  33   1  1  A  33  ALA  A  33  .  ?        ?  
  34   1  1  A  34  ALA  A  34  .  ?        ?  
  35   1  1  A  35  GLY  A  35  .  ?        ?  
  36   1  1  A  36  LEU  A  36  .  ?        ?  
  37   1  1  A  37  SER  A  37  .  ?        ?  
  38   1  1  A  38  ILE  A  38  .  ?        ?  
  39   1  1  A  39  TYR  A  39  .  ?        1  
  40   1  1  A  40  GLN  A  40  .  ?        ?  
  41   1  1  A  41  VAL  A  41  .  ?        ?  
  42   1  1  A  42  ARG  A  42  .  ?        ?  
  43   1  1  A  43  LEU  A  43  .  ?        1  
  44   1  1  A  44  TYR  A  44  .  ?        ?  
  45   1  1  A  45  LEU  A  45  .  ?        ?  
  46   1  1  A  46  GLU  A  46  .  ?        ?  
  47   1  1  A  47  GLN  A  47  .  ?        ?  
  48   1  1  A  48  LEU  A  48  .  ?        ?  
  49   1  1  A  49  HIS  A  49  .  ?        ?  
  50   1  1  A  50  ASP  A  50  .  ?        ?  
  51   1  1  A  51  VAL  A  51  .  ?        ?  
  52   1  1  A  52  GLY  A  52  .  ?        ?  
  53   1  1  A  53  VAL  A  53  .  ?        ?  
  54   1  1  A  54  LEU  A  54  .  ?        ?  
  55   1  1  A  55  GLU  A  55  .  ?        ?  
  56   1  1  A  56  LYS  A  56  .  ?        ?  
  57   1  1  A  57  VAL  A  57  .  ?        ?  
  58   1  1  A  58  ASN  A  58  .  ?        ?  
  59   1  1  A  59  ALA  A  59  .  ?        ?  
  60   1  1  A  60  GLY  A  60  .  ?        ?  
  61   1  1  A  61  LYS  A  61  .  ?        ?  
  62   1  1  A  62  GLY  A  62  .  ?        ?  
  63   1  1  A  63  VAL  A  63  .  ?        ?  
  64   1  1  A  64  PRO  A  64  .  ?        ?  
  65   1  1  A  65  GLY  A  65  .  ?        ?  
  66   1  1  A  66  LEU  A  66  .  ?        ?  
  67   1  1  A  67  TRP  A  67  .  ?        ?  
  68   1  1  A  68  ARG  A  68  .  ?        ?  
  69   1  1  A  69  LEU  A  69  .  ?        ?  
  70   1  1  A  70  LEU  A  70  .  ?        2  
  71   1  1  A  71  GLU  A  71  .  ?        ?  
  72   2  1  A   1  MET  A   1  .  ?        ?  
  73   2  1  A   2  SER  A   2  .  ?        ?  
  74   2  1  A   3  GLU  A   3  .  ?        ?  
  75   2  1  A   4  SER  A   4  .  ?        ?  
  76   2  1  A   5  ILE  A   5  .  ?        4  
  77   2  1  A   6  VAL  A   6  .  ?        ?  
  78   2  1  A   7  THR  A   7  .  ?        ?  
  79   2  1  A   8  LYS  A   8  .  ?        1  
  80   2  1  A   9  ILE  A   9  .  ?        ?  
  81   2  1  A  10  ILE  A  10  .  ?        ?  
  82   2  1  A  11  SER  A  11  .  ?        ?  
  83   2  1  A  12  ILE  A  12  .  ?        1  
  84   2  1  A  13  VAL  A  13  .  ?        ?  
  85   2  1  A  14  GLN  A  14  .  ?        ?  
  86   2  1  A  15  GLU  A  15  .  ?        1  
  87   2  1  A  16  ARG  A  16  .  ?        ?  
  88   2  1  A  17  GLN  A  17  .  ?        ?  
  89   2  1  A  18  ASN  A  18  .  ?        ?  
  90   2  1  A  19  MET  A  19  .  ?        1  
  91   2  1  A  20  ASP  A  20  .  ?        ?  
  92   2  1  A  21  ASP  A  21  .  ?        ?  
  93   2  1  A  22  GLY  A  22  .  ?        ?  
  94   2  1  A  23  ALA  A  23  .  ?        ?  
  95   2  1  A  24  PRO  A  24  .  ?        ?  
  96   2  1  A  25  VAL  A  25  .  ?        ?  
  97   2  1  A  26  LYS  A  26  .  ?        ?  
  98   2  1  A  27  THR  A  27  .  ?        ?  
  99   2  1  A  28  ARG  A  28  .  ?        ?  
 100   2  1  A  29  ASP  A  29  .  ?        ?  
 101   2  1  A  30  ILE  A  30  .  ?        ?  
 102   2  1  A  31  ALA  A  31  .  ?        ?  
 103   2  1  A  32  ASP  A  32  .  ?        ?  
 104   2  1  A  33  ALA  A  33  .  ?        ?  
 105   2  1  A  34  ALA  A  34  .  ?        ?  
 106   2  1  A  35  GLY  A  35  .  ?        ?  
 107   2  1  A  36  LEU  A  36  .  ?        ?  
 108   2  1  A  37  SER  A  37  .  ?        ?  
 109   2  1  A  38  ILE  A  38  .  ?        ?  
 110   2  1  A  39  TYR  A  39  .  ?        ?  
 111   2  1  A  40  GLN  A  40  .  ?        ?  
 112   2  1  A  41  VAL  A  41  .  ?        1  
 113   2  1  A  42  ARG  A  42  .  ?        ?  
 114   2  1  A  43  LEU  A  43  .  ?        ?  
 115   2  1  A  44  TYR  A  44  .  ?        ?  
 116   2  1  A  45  LEU  A  45  .  ?        1  
 117   2  1  A  46  GLU  A  46  .  ?        ?  
 118   2  1  A  47  GLN  A  47  .  ?        ?  
 119   2  1  A  48  LEU  A  48  .  ?        ?  
 120   2  1  A  49  HIS  A  49  .  ?        ?  
 121   2  1  A  50  ASP  A  50  .  ?        ?  
 122   2  1  A  51  VAL  A  51  .  ?        ?  
 123   2  1  A  52  GLY  A  52  .  ?        ?  
 124   2  1  A  53  VAL  A  53  .  ?        ?  
 125   2  1  A  54  LEU  A  54  .  ?        ?  
 126   2  1  A  55  GLU  A  55  .  ?        ?  
 127   2  1  A  56  LYS  A  56  .  ?        ?  
 128   2  1  A  57  VAL  A  57  .  ?        ?  
 129   2  1  A  58  ASN  A  58  .  ?        ?  
 130   2  1  A  59  ALA  A  59  .  ?        ?  
 131   2  1  A  60  GLY  A  60  .  ?        ?  
 132   2  1  A  61  LYS  A  61  .  ?        ?  
 133   2  1  A  62  GLY  A  62  .  ?        ?  
 134   2  1  A  63  VAL  A  63  .  ?        ?  
 135   2  1  A  64  PRO  A  64  .  ?        ?  
 136   2  1  A  65  GLY  A  65  .  ?        ?  
 137   2  1  A  66  LEU  A  66  .  ?        ?  
 138   2  1  A  67  TRP  A  67  .  ?        ?  
 139   2  1  A  68  ARG  A  68  .  ?        ?  
 140   2  1  A  69  LEU  A  69  .  ?        ?  
 141   2  1  A  70  LEU  A  70  .  ?        ?  
 142   2  1  A  71  GLU  A  71  .  ?        ?  
 143   3  1  A   1  MET  A   1  .  ?        2  
 144   3  1  A   2  SER  A   2  .  ?        ?  
 145   3  1  A   3  GLU  A   3  .  ?        ?  
 146   3  1  A   4  SER  A   4  .  ?        ?  
 147   3  1  A   5  ILE  A   5  .  ?        ?  
 148   3  1  A   6  VAL  A   6  .  ?        ?  
 149   3  1  A   7  THR  A   7  .  ?        ?  
 150   3  1  A   8  LYS  A   8  .  ?        ?  
 151   3  1  A   9  ILE  A   9  .  ?        ?  
 152   3  1  A  10  ILE  A  10  .  ?        ?  
 153   3  1  A  11  SER  A  11  .  ?        ?  
 154   3  1  A  12  ILE  A  12  .  ?        ?  
 155   3  1  A  13  VAL  A  13  .  ?        ?  
 156   3  1  A  14  GLN  A  14  .  ?        ?  
 157   3  1  A  15  GLU  A  15  .  ?        ?  
 158   3  1  A  16  ARG  A  16  .  ?        1  
 159   3  1  A  17  GLN  A  17  .  ?        ?  
 160   3  1  A  18  ASN  A  18  .  ?        ?  
 161   3  1  A  19  MET  A  19  .  ?        1  
 162   3  1  A  20  ASP  A  20  .  ?        ?  
 163   3  1  A  21  ASP  A  21  .  ?        ?  
 164   3  1  A  22  GLY  A  22  .  ?        ?  
 165   3  1  A  23  ALA  A  23  .  ?        ?  
 166   3  1  A  24  PRO  A  24  .  ?        ?  
 167   3  1  A  25  VAL  A  25  .  ?        ?  
 168   3  1  A  26  LYS  A  26  .  ?        2  
 169   3  1  A  27  THR  A  27  .  ?        ?  
 170   3  1  A  28  ARG  A  28  .  ?        ?  
 171   3  1  A  29  ASP  A  29  .  ?        ?  
 172   3  1  A  30  ILE  A  30  .  ?        ?  
 173   3  1  A  31  ALA  A  31  .  ?        ?  
 174   3  1  A  32  ASP  A  32  .  ?        ?  
 175   3  1  A  33  ALA  A  33  .  ?        ?  
 176   3  1  A  34  ALA  A  34  .  ?        ?  
 177   3  1  A  35  GLY  A  35  .  ?        ?  
 178   3  1  A  36  LEU  A  36  .  ?        ?  
 179   3  1  A  37  SER  A  37  .  ?        ?  
 180   3  1  A  38  ILE  A  38  .  ?        ?  
 181   3  1  A  39  TYR  A  39  .  ?        1  
 182   3  1  A  40  GLN  A  40  .  ?        ?  
 183   3  1  A  41  VAL  A  41  .  ?        ?  
 184   3  1  A  42  ARG  A  42  .  ?        ?  
 185   3  1  A  43  LEU  A  43  .  ?        1  
 186   3  1  A  44  TYR  A  44  .  ?        ?  
 187   3  1  A  45  LEU  A  45  .  ?        ?  
 188   3  1  A  46  GLU  A  46  .  ?        ?  
 189   3  1  A  47  GLN  A  47  .  ?        ?  
 190   3  1  A  48  LEU  A  48  .  ?        ?  
 191   3  1  A  49  HIS  A  49  .  ?        ?  
 192   3  1  A  50  ASP  A  50  .  ?        ?  
 193   3  1  A  51  VAL  A  51  .  ?        ?  
 194   3  1  A  52  GLY  A  52  .  ?        ?  
 195   3  1  A  53  VAL  A  53  .  ?        ?  
 196   3  1  A  54  LEU  A  54  .  ?        ?  
 197   3  1  A  55  GLU  A  55  .  ?        ?  
 198   3  1  A  56  LYS  A  56  .  ?        ?  
 199   3  1  A  57  VAL  A  57  .  ?        ?  
 200   3  1  A  58  ASN  A  58  .  ?        ?  
 201   3  1  A  59  ALA  A  59  .  ?        ?  
 202   3  1  A  60  GLY  A  60  .  ?        ?  
 203   3  1  A  61  LYS  A  61  .  ?        ?  
 204   3  1  A  62  GLY  A  62  .  ?        ?  
 205   3  1  A  63  VAL  A  63  .  ?        ?  
 206   3  1  A  64  PRO  A  64  .  ?        ?  
 207   3  1  A  65  GLY  A  65  .  ?        ?  
 208   3  1  A  66  LEU  A  66  .  ?        ?  
 209   3  1  A  67  TRP  A  67  .  ?        ?  
 210   3  1  A  68  ARG  A  68  .  ?        ?  
 211   3  1  A  69  LEU  A  69  .  ?        ?  
 212   3  1  A  70  LEU  A  70  .  ?        ?  
 213   3  1  A  71  GLU  A  71  .  ?        ?  
 214   4  1  A   1  MET  A   1  .  ?        ?  
 215   4  1  A   2  SER  A   2  .  ?        ?  
 216   4  1  A   3  GLU  A   3  .  ?        ?  
 217   4  1  A   4  SER  A   4  .  ?        ?  
 218   4  1  A   5  ILE  A   5  .  ?        ?  
 219   4  1  A   6  VAL  A   6  .  ?        ?  
 220   4  1  A   7  THR  A   7  .  ?        ?  
 221   4  1  A   8  LYS  A   8  .  ?        ?  
 222   4  1  A   9  ILE  A   9  .  ?        ?  
 223   4  1  A  10  ILE  A  10  .  ?        ?  
 224   4  1  A  11  SER  A  11  .  ?        ?  
 225   4  1  A  12  ILE  A  12  .  ?        ?  
 226   4  1  A  13  VAL  A  13  .  ?        2  
 227   4  1  A  14  GLN  A  14  .  ?        ?  
 228   4  1  A  15  GLU  A  15  .  ?        ?  
 229   4  1  A  16  ARG  A  16  .  ?        2  
 230   4  1  A  17  GLN  A  17  .  ?        2  
 231   4  1  A  18  ASN  A  18  .  ?        ?  
 232   4  1  A  19  MET  A  19  .  ?        ?  
 233   4  1  A  20  ASP  A  20  .  ?        ?  
 234   4  1  A  21  ASP  A  21  .  ?        ?  
 235   4  1  A  22  GLY  A  22  .  ?        ?  
 236   4  1  A  23  ALA  A  23  .  ?        ?  
 237   4  1  A  24  PRO  A  24  .  ?        ?  
 238   4  1  A  25  VAL  A  25  .  ?        ?  
 239   4  1  A  26  LYS  A  26  .  ?        ?  
 240   4  1  A  27  THR  A  27  .  ?        ?  
 241   4  1  A  28  ARG  A  28  .  ?        ?  
 242   4  1  A  29  ASP  A  29  .  ?        ?  
 243   4  1  A  30  ILE  A  30  .  ?        ?  
 244   4  1  A  31  ALA  A  31  .  ?        ?  
 245   4  1  A  32  ASP  A  32  .  ?        ?  
 246   4  1  A  33  ALA  A  33  .  ?        ?  
 247   4  1  A  34  ALA  A  34  .  ?        ?  
 248   4  1  A  35  GLY  A  35  .  ?        ?  
 249   4  1  A  36  LEU  A  36  .  ?        ?  
 250   4  1  A  37  SER  A  37  .  ?        ?  
 251   4  1  A  38  ILE  A  38  .  ?        ?  
 252   4  1  A  39  TYR  A  39  .  ?        ?  
 253   4  1  A  40  GLN  A  40  .  ?        ?  
 254   4  1  A  41  VAL  A  41  .  ?        ?  
 255   4  1  A  42  ARG  A  42  .  ?        ?  
 256   4  1  A  43  LEU  A  43  .  ?        ?  
 257   4  1  A  44  TYR  A  44  .  ?        ?  
 258   4  1  A  45  LEU  A  45  .  ?        ?  
 259   4  1  A  46  GLU  A  46  .  ?        ?  
 260   4  1  A  47  GLN  A  47  .  ?        ?  
 261   4  1  A  48  LEU  A  48  .  ?        ?  
 262   4  1  A  49  HIS  A  49  .  ?        ?  
 263   4  1  A  50  ASP  A  50  .  ?        ?  
 264   4  1  A  51  VAL  A  51  .  ?        ?  
 265   4  1  A  52  GLY  A  52  .  ?        ?  
 266   4  1  A  53  VAL  A  53  .  ?        ?  
 267   4  1  A  54  LEU  A  54  .  ?        ?  
 268   4  1  A  55  GLU  A  55  .  ?        ?  
 269   4  1  A  56  LYS  A  56  .  ?        2  
 270   4  1  A  57  VAL  A  57  .  ?        ?  
 271   4  1  A  58  ASN  A  58  .  ?        ?  
 272   4  1  A  59  ALA  A  59  .  ?        ?  
 273   4  1  A  60  GLY  A  60  .  ?        ?  
 274   4  1  A  61  LYS  A  61  .  ?        ?  
 275   4  1  A  62  GLY  A  62  .  ?        ?  
 276   4  1  A  63  VAL  A  63  .  ?        ?  
 277   4  1  A  64  PRO  A  64  .  ?        ?  
 278   4  1  A  65  GLY  A  65  .  ?        ?  
 279   4  1  A  66  LEU  A  66  .  ?        ?  
 280   4  1  A  67  TRP  A  67  .  ?        ?  
 281   4  1  A  68  ARG  A  68  .  ?        ?  
 282   4  1  A  69  LEU  A  69  .  ?        ?  
 283   4  1  A  70  LEU  A  70  .  ?        ?  
 284   4  1  A  71  GLU  A  71  .  ?        ?  
 285   5  1  A   1  MET  A   1  .  ?        ?  
 286   5  1  A   2  SER  A   2  .  ?        ?  
 287   5  1  A   3  GLU  A   3  .  ?        ?  
 288   5  1  A   4  SER  A   4  .  ?        ?  
 289   5  1  A   5  ILE  A   5  .  ?        ?  
 290   5  1  A   6  VAL  A   6  .  ?        ?  
 291   5  1  A   7  THR  A   7  .  ?        ?  
 292   5  1  A   8  LYS  A   8  .  ?        1  
 293   5  1  A   9  ILE  A   9  .  ?        ?  
 294   5  1  A  10  ILE  A  10  .  ?        ?  
 295   5  1  A  11  SER  A  11  .  ?        ?  
 296   5  1  A  12  ILE  A  12  .  ?        1  
 297   5  1  A  13  VAL  A  13  .  ?        ?  
 298   5  1  A  14  GLN  A  14  .  ?        ?  
 299   5  1  A  15  GLU  A  15  .  ?        ?  
 300   5  1  A  16  ARG  A  16  .  ?        ?  
 301   5  1  A  17  GLN  A  17  .  ?        ?  
 302   5  1  A  18  ASN  A  18  .  ?        ?  
 303   5  1  A  19  MET  A  19  .  ?        ?  
 304   5  1  A  20  ASP  A  20  .  ?        ?  
 305   5  1  A  21  ASP  A  21  .  ?        ?  
 306   5  1  A  22  GLY  A  22  .  ?        ?  
 307   5  1  A  23  ALA  A  23  .  ?        ?  
 308   5  1  A  24  PRO  A  24  .  ?        ?  
 309   5  1  A  25  VAL  A  25  .  ?        ?  
 310   5  1  A  26  LYS  A  26  .  ?        2  
 311   5  1  A  27  THR  A  27  .  ?        ?  
 312   5  1  A  28  ARG  A  28  .  ?        ?  
 313   5  1  A  29  ASP  A  29  .  ?        ?  
 314   5  1  A  30  ILE  A  30  .  ?        ?  
 315   5  1  A  31  ALA  A  31  .  ?        ?  
 316   5  1  A  32  ASP  A  32  .  ?        ?  
 317   5  1  A  33  ALA  A  33  .  ?        ?  
 318   5  1  A  34  ALA  A  34  .  ?        ?  
 319   5  1  A  35  GLY  A  35  .  ?        ?  
 320   5  1  A  36  LEU  A  36  .  ?        ?  
 321   5  1  A  37  SER  A  37  .  ?        ?  
 322   5  1  A  38  ILE  A  38  .  ?        ?  
 323   5  1  A  39  TYR  A  39  .  ?        ?  
 324   5  1  A  40  GLN  A  40  .  ?        ?  
 325   5  1  A  41  VAL  A  41  .  ?        ?  
 326   5  1  A  42  ARG  A  42  .  ?        ?  
 327   5  1  A  43  LEU  A  43  .  ?        ?  
 328   5  1  A  44  TYR  A  44  .  ?        ?  
 329   5  1  A  45  LEU  A  45  .  ?        ?  
 330   5  1  A  46  GLU  A  46  .  ?        ?  
 331   5  1  A  47  GLN  A  47  .  ?        ?  
 332   5  1  A  48  LEU  A  48  .  ?        ?  
 333   5  1  A  49  HIS  A  49  .  ?        ?  
 334   5  1  A  50  ASP  A  50  .  ?        ?  
 335   5  1  A  51  VAL  A  51  .  ?        ?  
 336   5  1  A  52  GLY  A  52  .  ?        ?  
 337   5  1  A  53  VAL  A  53  .  ?        ?  
 338   5  1  A  54  LEU  A  54  .  ?        ?  
 339   5  1  A  55  GLU  A  55  .  ?        ?  
 340   5  1  A  56  LYS  A  56  .  ?        ?  
 341   5  1  A  57  VAL  A  57  .  ?        ?  
 342   5  1  A  58  ASN  A  58  .  ?        ?  
 343   5  1  A  59  ALA  A  59  .  ?        ?  
 344   5  1  A  60  GLY  A  60  .  ?        ?  
 345   5  1  A  61  LYS  A  61  .  ?        ?  
 346   5  1  A  62  GLY  A  62  .  ?        ?  
 347   5  1  A  63  VAL  A  63  .  ?        ?  
 348   5  1  A  64  PRO  A  64  .  ?        ?  
 349   5  1  A  65  GLY  A  65  .  ?        ?  
 350   5  1  A  66  LEU  A  66  .  ?        ?  
 351   5  1  A  67  TRP  A  67  .  ?        ?  
 352   5  1  A  68  ARG  A  68  .  ?        ?  
 353   5  1  A  69  LEU  A  69  .  ?        ?  
 354   5  1  A  70  LEU  A  70  .  ?        ?  
 355   5  1  A  71  GLU  A  71  .  ?        ?  
 356   6  1  A   1  MET  A   1  .  ?        ?  
 357   6  1  A   2  SER  A   2  .  ?        ?  
 358   6  1  A   3  GLU  A   3  .  ?        ?  
 359   6  1  A   4  SER  A   4  .  ?        ?  
 360   6  1  A   5  ILE  A   5  .  ?        ?  
 361   6  1  A   6  VAL  A   6  .  ?        ?  
 362   6  1  A   7  THR  A   7  .  ?        ?  
 363   6  1  A   8  LYS  A   8  .  ?        ?  
 364   6  1  A   9  ILE  A   9  .  ?        ?  
 365   6  1  A  10  ILE  A  10  .  ?        ?  
 366   6  1  A  11  SER  A  11  .  ?        ?  
 367   6  1  A  12  ILE  A  12  .  ?        ?  
 368   6  1  A  13  VAL  A  13  .  ?        ?  
 369   6  1  A  14  GLN  A  14  .  ?        ?  
 370   6  1  A  15  GLU  A  15  .  ?        ?  
 371   6  1  A  16  ARG  A  16  .  ?        ?  
 372   6  1  A  17  GLN  A  17  .  ?        ?  
 373   6  1  A  18  ASN  A  18  .  ?        ?  
 374   6  1  A  19  MET  A  19  .  ?        ?  
 375   6  1  A  20  ASP  A  20  .  ?        ?  
 376   6  1  A  21  ASP  A  21  .  ?        ?  
 377   6  1  A  22  GLY  A  22  .  ?        ?  
 378   6  1  A  23  ALA  A  23  .  ?        ?  
 379   6  1  A  24  PRO  A  24  .  ?        1  
 380   6  1  A  25  VAL  A  25  .  ?        ?  
 381   6  1  A  26  LYS  A  26  .  ?        ?  
 382   6  1  A  27  THR  A  27  .  ?        ?  
 383   6  1  A  28  ARG  A  28  .  ?        ?  
 384   6  1  A  29  ASP  A  29  .  ?        ?  
 385   6  1  A  30  ILE  A  30  .  ?        ?  
 386   6  1  A  31  ALA  A  31  .  ?        ?  
 387   6  1  A  32  ASP  A  32  .  ?        ?  
 388   6  1  A  33  ALA  A  33  .  ?        ?  
 389   6  1  A  34  ALA  A  34  .  ?        ?  
 390   6  1  A  35  GLY  A  35  .  ?        ?  
 391   6  1  A  36  LEU  A  36  .  ?        ?  
 392   6  1  A  37  SER  A  37  .  ?        ?  
 393   6  1  A  38  ILE  A  38  .  ?        ?  
 394   6  1  A  39  TYR  A  39  .  ?        ?  
 395   6  1  A  40  GLN  A  40  .  ?        ?  
 396   6  1  A  41  VAL  A  41  .  ?        ?  
 397   6  1  A  42  ARG  A  42  .  ?        ?  
 398   6  1  A  43  LEU  A  43  .  ?        ?  
 399   6  1  A  44  TYR  A  44  .  ?        ?  
 400   6  1  A  45  LEU  A  45  .  ?        1  
 401   6  1  A  46  GLU  A  46  .  ?        ?  
 402   6  1  A  47  GLN  A  47  .  ?        ?  
 403   6  1  A  48  LEU  A  48  .  ?        ?  
 404   6  1  A  49  HIS  A  49  .  ?        ?  
 405   6  1  A  50  ASP  A  50  .  ?        ?  
 406   6  1  A  51  VAL  A  51  .  ?        ?  
 407   6  1  A  52  GLY  A  52  .  ?        ?  
 408   6  1  A  53  VAL  A  53  .  ?        ?  
 409   6  1  A  54  LEU  A  54  .  ?        ?  
 410   6  1  A  55  GLU  A  55  .  ?        ?  
 411   6  1  A  56  LYS  A  56  .  ?        ?  
 412   6  1  A  57  VAL  A  57  .  ?        ?  
 413   6  1  A  58  ASN  A  58  .  ?        ?  
 414   6  1  A  59  ALA  A  59  .  ?        ?  
 415   6  1  A  60  GLY  A  60  .  ?        ?  
 416   6  1  A  61  LYS  A  61  .  ?        ?  
 417   6  1  A  62  GLY  A  62  .  ?        ?  
 418   6  1  A  63  VAL  A  63  .  ?        ?  
 419   6  1  A  64  PRO  A  64  .  ?        ?  
 420   6  1  A  65  GLY  A  65  .  ?        ?  
 421   6  1  A  66  LEU  A  66  .  ?        1  
 422   6  1  A  67  TRP  A  67  .  ?        1  
 423   6  1  A  68  ARG  A  68  .  ?        ?  
 424   6  1  A  69  LEU  A  69  .  ?        ?  
 425   6  1  A  70  LEU  A  70  .  ?        ?  
 426   6  1  A  71  GLU  A  71  .  ?        ?  
 427   7  1  A   1  MET  A   1  .  ?        2  
 428   7  1  A   2  SER  A   2  .  ?        ?  
 429   7  1  A   3  GLU  A   3  .  ?        ?  
 430   7  1  A   4  SER  A   4  .  ?        ?  
 431   7  1  A   5  ILE  A   5  .  ?        2  
 432   7  1  A   6  VAL  A   6  .  ?        ?  
 433   7  1  A   7  THR  A   7  .  ?        ?  
 434   7  1  A   8  LYS  A   8  .  ?        ?  
 435   7  1  A   9  ILE  A   9  .  ?        ?  
 436   7  1  A  10  ILE  A  10  .  ?        ?  
 437   7  1  A  11  SER  A  11  .  ?        ?  
 438   7  1  A  12  ILE  A  12  .  ?        ?  
 439   7  1  A  13  VAL  A  13  .  ?        ?  
 440   7  1  A  14  GLN  A  14  .  ?        ?  
 441   7  1  A  15  GLU  A  15  .  ?        ?  
 442   7  1  A  16  ARG  A  16  .  ?        ?  
 443   7  1  A  17  GLN  A  17  .  ?        ?  
 444   7  1  A  18  ASN  A  18  .  ?        ?  
 445   7  1  A  19  MET  A  19  .  ?        ?  
 446   7  1  A  20  ASP  A  20  .  ?        ?  
 447   7  1  A  21  ASP  A  21  .  ?        ?  
 448   7  1  A  22  GLY  A  22  .  ?        ?  
 449   7  1  A  23  ALA  A  23  .  ?        ?  
 450   7  1  A  24  PRO  A  24  .  ?        ?  
 451   7  1  A  25  VAL  A  25  .  ?        ?  
 452   7  1  A  26  LYS  A  26  .  ?        2  
 453   7  1  A  27  THR  A  27  .  ?        ?  
 454   7  1  A  28  ARG  A  28  .  ?        ?  
 455   7  1  A  29  ASP  A  29  .  ?        ?  
 456   7  1  A  30  ILE  A  30  .  ?        ?  
 457   7  1  A  31  ALA  A  31  .  ?        ?  
 458   7  1  A  32  ASP  A  32  .  ?        ?  
 459   7  1  A  33  ALA  A  33  .  ?        ?  
 460   7  1  A  34  ALA  A  34  .  ?        ?  
 461   7  1  A  35  GLY  A  35  .  ?        ?  
 462   7  1  A  36  LEU  A  36  .  ?        ?  
 463   7  1  A  37  SER  A  37  .  ?        ?  
 464   7  1  A  38  ILE  A  38  .  ?        ?  
 465   7  1  A  39  TYR  A  39  .  ?        ?  
 466   7  1  A  40  GLN  A  40  .  ?        ?  
 467   7  1  A  41  VAL  A  41  .  ?        ?  
 468   7  1  A  42  ARG  A  42  .  ?        ?  
 469   7  1  A  43  LEU  A  43  .  ?        ?  
 470   7  1  A  44  TYR  A  44  .  ?        ?  
 471   7  1  A  45  LEU  A  45  .  ?        ?  
 472   7  1  A  46  GLU  A  46  .  ?        ?  
 473   7  1  A  47  GLN  A  47  .  ?        ?  
 474   7  1  A  48  LEU  A  48  .  ?        ?  
 475   7  1  A  49  HIS  A  49  .  ?        ?  
 476   7  1  A  50  ASP  A  50  .  ?        ?  
 477   7  1  A  51  VAL  A  51  .  ?        ?  
 478   7  1  A  52  GLY  A  52  .  ?        ?  
 479   7  1  A  53  VAL  A  53  .  ?        ?  
 480   7  1  A  54  LEU  A  54  .  ?        ?  
 481   7  1  A  55  GLU  A  55  .  ?        ?  
 482   7  1  A  56  LYS  A  56  .  ?        ?  
 483   7  1  A  57  VAL  A  57  .  ?        1  
 484   7  1  A  58  ASN  A  58  .  ?        1  
 485   7  1  A  59  ALA  A  59  .  ?        ?  
 486   7  1  A  60  GLY  A  60  .  ?        ?  
 487   7  1  A  61  LYS  A  61  .  ?        ?  
 488   7  1  A  62  GLY  A  62  .  ?        ?  
 489   7  1  A  63  VAL  A  63  .  ?        ?  
 490   7  1  A  64  PRO  A  64  .  ?        ?  
 491   7  1  A  65  GLY  A  65  .  ?        ?  
 492   7  1  A  66  LEU  A  66  .  ?        ?  
 493   7  1  A  67  TRP  A  67  .  ?        ?  
 494   7  1  A  68  ARG  A  68  .  ?        ?  
 495   7  1  A  69  LEU  A  69  .  ?        ?  
 496   7  1  A  70  LEU  A  70  .  ?        2  
 497   7  1  A  71  GLU  A  71  .  ?        ?  
 498   8  1  A   1  MET  A   1  .  ?        2  
 499   8  1  A   2  SER  A   2  .  ?        ?  
 500   8  1  A   3  GLU  A   3  .  ?        ?  
 501   8  1  A   4  SER  A   4  .  ?        ?  
 502   8  1  A   5  ILE  A   5  .  ?        ?  
 503   8  1  A   6  VAL  A   6  .  ?        ?  
 504   8  1  A   7  THR  A   7  .  ?        ?  
 505   8  1  A   8  LYS  A   8  .  ?        ?  
 506   8  1  A   9  ILE  A   9  .  ?        ?  
 507   8  1  A  10  ILE  A  10  .  ?        ?  
 508   8  1  A  11  SER  A  11  .  ?        ?  
 509   8  1  A  12  ILE  A  12  .  ?        ?  
 510   8  1  A  13  VAL  A  13  .  ?        ?  
 511   8  1  A  14  GLN  A  14  .  ?        1  
 512   8  1  A  15  GLU  A  15  .  ?        ?  
 513   8  1  A  16  ARG  A  16  .  ?        ?  
 514   8  1  A  17  GLN  A  17  .  ?        1  
 515   8  1  A  18  ASN  A  18  .  ?        3  
 516   8  1  A  19  MET  A  19  .  ?        ?  
 517   8  1  A  20  ASP  A  20  .  ?        ?  
 518   8  1  A  21  ASP  A  21  .  ?        ?  
 519   8  1  A  22  GLY  A  22  .  ?        ?  
 520   8  1  A  23  ALA  A  23  .  ?        ?  
 521   8  1  A  24  PRO  A  24  .  ?        ?  
 522   8  1  A  25  VAL  A  25  .  ?        ?  
 523   8  1  A  26  LYS  A  26  .  ?        2  
 524   8  1  A  27  THR  A  27  .  ?        ?  
 525   8  1  A  28  ARG  A  28  .  ?        ?  
 526   8  1  A  29  ASP  A  29  .  ?        ?  
 527   8  1  A  30  ILE  A  30  .  ?        ?  
 528   8  1  A  31  ALA  A  31  .  ?        ?  
 529   8  1  A  32  ASP  A  32  .  ?        ?  
 530   8  1  A  33  ALA  A  33  .  ?        ?  
 531   8  1  A  34  ALA  A  34  .  ?        ?  
 532   8  1  A  35  GLY  A  35  .  ?        ?  
 533   8  1  A  36  LEU  A  36  .  ?        ?  
 534   8  1  A  37  SER  A  37  .  ?        ?  
 535   8  1  A  38  ILE  A  38  .  ?        ?  
 536   8  1  A  39  TYR  A  39  .  ?        ?  
 537   8  1  A  40  GLN  A  40  .  ?        ?  
 538   8  1  A  41  VAL  A  41  .  ?        ?  
 539   8  1  A  42  ARG  A  42  .  ?        ?  
 540   8  1  A  43  LEU  A  43  .  ?        ?  
 541   8  1  A  44  TYR  A  44  .  ?        ?  
 542   8  1  A  45  LEU  A  45  .  ?        ?  
 543   8  1  A  46  GLU  A  46  .  ?        ?  
 544   8  1  A  47  GLN  A  47  .  ?        ?  
 545   8  1  A  48  LEU  A  48  .  ?        ?  
 546   8  1  A  49  HIS  A  49  .  ?        ?  
 547   8  1  A  50  ASP  A  50  .  ?        ?  
 548   8  1  A  51  VAL  A  51  .  ?        ?  
 549   8  1  A  52  GLY  A  52  .  ?        ?  
 550   8  1  A  53  VAL  A  53  .  ?        ?  
 551   8  1  A  54  LEU  A  54  .  ?        ?  
 552   8  1  A  55  GLU  A  55  .  ?        ?  
 553   8  1  A  56  LYS  A  56  .  ?        ?  
 554   8  1  A  57  VAL  A  57  .  ?        ?  
 555   8  1  A  58  ASN  A  58  .  ?        ?  
 556   8  1  A  59  ALA  A  59  .  ?        ?  
 557   8  1  A  60  GLY  A  60  .  ?        ?  
 558   8  1  A  61  LYS  A  61  .  ?        ?  
 559   8  1  A  62  GLY  A  62  .  ?        ?  
 560   8  1  A  63  VAL  A  63  .  ?        ?  
 561   8  1  A  64  PRO  A  64  .  ?        ?  
 562   8  1  A  65  GLY  A  65  .  ?        ?  
 563   8  1  A  66  LEU  A  66  .  ?        ?  
 564   8  1  A  67  TRP  A  67  .  ?        ?  
 565   8  1  A  68  ARG  A  68  .  ?        1  
 566   8  1  A  69  LEU  A  69  .  ?        ?  
 567   8  1  A  70  LEU  A  70  .  ?        ?  
 568   8  1  A  71  GLU  A  71  .  ?        ?  
 569   9  1  A   1  MET  A   1  .  ?        ?  
 570   9  1  A   2  SER  A   2  .  ?        ?  
 571   9  1  A   3  GLU  A   3  .  ?        ?  
 572   9  1  A   4  SER  A   4  .  ?        ?  
 573   9  1  A   5  ILE  A   5  .  ?        ?  
 574   9  1  A   6  VAL  A   6  .  ?        ?  
 575   9  1  A   7  THR  A   7  .  ?        ?  
 576   9  1  A   8  LYS  A   8  .  ?        ?  
 577   9  1  A   9  ILE  A   9  .  ?        ?  
 578   9  1  A  10  ILE  A  10  .  ?        ?  
 579   9  1  A  11  SER  A  11  .  ?        ?  
 580   9  1  A  12  ILE  A  12  .  ?        ?  
 581   9  1  A  13  VAL  A  13  .  ?        ?  
 582   9  1  A  14  GLN  A  14  .  ?        ?  
 583   9  1  A  15  GLU  A  15  .  ?        ?  
 584   9  1  A  16  ARG  A  16  .  ?        1  
 585   9  1  A  17  GLN  A  17  .  ?        ?  
 586   9  1  A  18  ASN  A  18  .  ?        ?  
 587   9  1  A  19  MET  A  19  .  ?        1  
 588   9  1  A  20  ASP  A  20  .  ?        ?  
 589   9  1  A  21  ASP  A  21  .  ?        ?  
 590   9  1  A  22  GLY  A  22  .  ?        ?  
 591   9  1  A  23  ALA  A  23  .  ?        ?  
 592   9  1  A  24  PRO  A  24  .  ?        ?  
 593   9  1  A  25  VAL  A  25  .  ?        ?  
 594   9  1  A  26  LYS  A  26  .  ?        2  
 595   9  1  A  27  THR  A  27  .  ?        ?  
 596   9  1  A  28  ARG  A  28  .  ?        ?  
 597   9  1  A  29  ASP  A  29  .  ?        ?  
 598   9  1  A  30  ILE  A  30  .  ?        ?  
 599   9  1  A  31  ALA  A  31  .  ?        ?  
 600   9  1  A  32  ASP  A  32  .  ?        ?  
 601   9  1  A  33  ALA  A  33  .  ?        ?  
 602   9  1  A  34  ALA  A  34  .  ?        ?  
 603   9  1  A  35  GLY  A  35  .  ?        ?  
 604   9  1  A  36  LEU  A  36  .  ?        ?  
 605   9  1  A  37  SER  A  37  .  ?        ?  
 606   9  1  A  38  ILE  A  38  .  ?        ?  
 607   9  1  A  39  TYR  A  39  .  ?        1  
 608   9  1  A  40  GLN  A  40  .  ?        ?  
 609   9  1  A  41  VAL  A  41  .  ?        ?  
 610   9  1  A  42  ARG  A  42  .  ?        ?  
 611   9  1  A  43  LEU  A  43  .  ?        1  
 612   9  1  A  44  TYR  A  44  .  ?        ?  
 613   9  1  A  45  LEU  A  45  .  ?        ?  
 614   9  1  A  46  GLU  A  46  .  ?        ?  
 615   9  1  A  47  GLN  A  47  .  ?        ?  
 616   9  1  A  48  LEU  A  48  .  ?        ?  
 617   9  1  A  49  HIS  A  49  .  ?        1  
 618   9  1  A  50  ASP  A  50  .  ?        ?  
 619   9  1  A  51  VAL  A  51  .  ?        ?  
 620   9  1  A  52  GLY  A  52  .  ?        ?  
 621   9  1  A  53  VAL  A  53  .  ?        ?  
 622   9  1  A  54  LEU  A  54  .  ?        1  
 623   9  1  A  55  GLU  A  55  .  ?        ?  
 624   9  1  A  56  LYS  A  56  .  ?        ?  
 625   9  1  A  57  VAL  A  57  .  ?        ?  
 626   9  1  A  58  ASN  A  58  .  ?        ?  
 627   9  1  A  59  ALA  A  59  .  ?        ?  
 628   9  1  A  60  GLY  A  60  .  ?        ?  
 629   9  1  A  61  LYS  A  61  .  ?        ?  
 630   9  1  A  62  GLY  A  62  .  ?        ?  
 631   9  1  A  63  VAL  A  63  .  ?        ?  
 632   9  1  A  64  PRO  A  64  .  ?        ?  
 633   9  1  A  65  GLY  A  65  .  ?        ?  
 634   9  1  A  66  LEU  A  66  .  ?        ?  
 635   9  1  A  67  TRP  A  67  .  ?        ?  
 636   9  1  A  68  ARG  A  68  .  ?        ?  
 637   9  1  A  69  LEU  A  69  .  ?        ?  
 638   9  1  A  70  LEU  A  70  .  ?        ?  
 639   9  1  A  71  GLU  A  71  .  ?        ?  
 640  10  1  A   1  MET  A   1  .  ?        2  
 641  10  1  A   2  SER  A   2  .  ?        ?  
 642  10  1  A   3  GLU  A   3  .  ?        ?  
 643  10  1  A   4  SER  A   4  .  ?        ?  
 644  10  1  A   5  ILE  A   5  .  ?        1  
 645  10  1  A   6  VAL  A   6  .  ?        ?  
 646  10  1  A   7  THR  A   7  .  ?        ?  
 647  10  1  A   8  LYS  A   8  .  ?        ?  
 648  10  1  A   9  ILE  A   9  .  ?        ?  
 649  10  1  A  10  ILE  A  10  .  ?        ?  
 650  10  1  A  11  SER  A  11  .  ?        ?  
 651  10  1  A  12  ILE  A  12  .  ?        ?  
 652  10  1  A  13  VAL  A  13  .  ?        ?  
 653  10  1  A  14  GLN  A  14  .  ?        ?  
 654  10  1  A  15  GLU  A  15  .  ?        ?  
 655  10  1  A  16  ARG  A  16  .  ?        ?  
 656  10  1  A  17  GLN  A  17  .  ?        ?  
 657  10  1  A  18  ASN  A  18  .  ?        ?  
 658  10  1  A  19  MET  A  19  .  ?        ?  
 659  10  1  A  20  ASP  A  20  .  ?        ?  
 660  10  1  A  21  ASP  A  21  .  ?        ?  
 661  10  1  A  22  GLY  A  22  .  ?        ?  
 662  10  1  A  23  ALA  A  23  .  ?        ?  
 663  10  1  A  24  PRO  A  24  .  ?        ?  
 664  10  1  A  25  VAL  A  25  .  ?        ?  
 665  10  1  A  26  LYS  A  26  .  ?        ?  
 666  10  1  A  27  THR  A  27  .  ?        ?  
 667  10  1  A  28  ARG  A  28  .  ?        ?  
 668  10  1  A  29  ASP  A  29  .  ?        ?  
 669  10  1  A  30  ILE  A  30  .  ?        ?  
 670  10  1  A  31  ALA  A  31  .  ?        ?  
 671  10  1  A  32  ASP  A  32  .  ?        ?  
 672  10  1  A  33  ALA  A  33  .  ?        ?  
 673  10  1  A  34  ALA  A  34  .  ?        ?  
 674  10  1  A  35  GLY  A  35  .  ?        ?  
 675  10  1  A  36  LEU  A  36  .  ?        1  
 676  10  1  A  37  SER  A  37  .  ?        ?  
 677  10  1  A  38  ILE  A  38  .  ?        ?  
 678  10  1  A  39  TYR  A  39  .  ?        ?  
 679  10  1  A  40  GLN  A  40  .  ?        ?  
 680  10  1  A  41  VAL  A  41  .  ?        ?  
 681  10  1  A  42  ARG  A  42  .  ?        ?  
 682  10  1  A  43  LEU  A  43  .  ?        1  
 683  10  1  A  44  TYR  A  44  .  ?        ?  
 684  10  1  A  45  LEU  A  45  .  ?        ?  
 685  10  1  A  46  GLU  A  46  .  ?        ?  
 686  10  1  A  47  GLN  A  47  .  ?        1  
 687  10  1  A  48  LEU  A  48  .  ?        ?  
 688  10  1  A  49  HIS  A  49  .  ?        ?  
 689  10  1  A  50  ASP  A  50  .  ?        ?  
 690  10  1  A  51  VAL  A  51  .  ?        ?  
 691  10  1  A  52  GLY  A  52  .  ?        ?  
 692  10  1  A  53  VAL  A  53  .  ?        ?  
 693  10  1  A  54  LEU  A  54  .  ?        1  
 694  10  1  A  55  GLU  A  55  .  ?        ?  
 695  10  1  A  56  LYS  A  56  .  ?        ?  
 696  10  1  A  57  VAL  A  57  .  ?        1  
 697  10  1  A  58  ASN  A  58  .  ?        1  
 698  10  1  A  59  ALA  A  59  .  ?        ?  
 699  10  1  A  60  GLY  A  60  .  ?        ?  
 700  10  1  A  61  LYS  A  61  .  ?        ?  
 701  10  1  A  62  GLY  A  62  .  ?        ?  
 702  10  1  A  63  VAL  A  63  .  ?        ?  
 703  10  1  A  64  PRO  A  64  .  ?        ?  
 704  10  1  A  65  GLY  A  65  .  ?        ?  
 705  10  1  A  66  LEU  A  66  .  ?        ?  
 706  10  1  A  67  TRP  A  67  .  ?        ?  
 707  10  1  A  68  ARG  A  68  .  ?        ?  
 708  10  1  A  69  LEU  A  69  .  ?        1  
 709  10  1  A  70  LEU  A  70  .  ?        2  
 710  10  1  A  71  GLU  A  71  .  ?        ?  
 711  11  1  A   1  MET  A   1  .  ?        ?  
 712  11  1  A   2  SER  A   2  .  ?        ?  
 713  11  1  A   3  GLU  A   3  .  ?        ?  
 714  11  1  A   4  SER  A   4  .  ?        ?  
 715  11  1  A   5  ILE  A   5  .  ?        ?  
 716  11  1  A   6  VAL  A   6  .  ?        ?  
 717  11  1  A   7  THR  A   7  .  ?        ?  
 718  11  1  A   8  LYS  A   8  .  ?        ?  
 719  11  1  A   9  ILE  A   9  .  ?        ?  
 720  11  1  A  10  ILE  A  10  .  ?        ?  
 721  11  1  A  11  SER  A  11  .  ?        ?  
 722  11  1  A  12  ILE  A  12  .  ?        ?  
 723  11  1  A  13  VAL  A  13  .  ?        ?  
 724  11  1  A  14  GLN  A  14  .  ?        ?  
 725  11  1  A  15  GLU  A  15  .  ?        ?  
 726  11  1  A  16  ARG  A  16  .  ?        ?  
 727  11  1  A  17  GLN  A  17  .  ?        ?  
 728  11  1  A  18  ASN  A  18  .  ?        ?  
 729  11  1  A  19  MET  A  19  .  ?        ?  
 730  11  1  A  20  ASP  A  20  .  ?        ?  
 731  11  1  A  21  ASP  A  21  .  ?        ?  
 732  11  1  A  22  GLY  A  22  .  ?        ?  
 733  11  1  A  23  ALA  A  23  .  ?        ?  
 734  11  1  A  24  PRO  A  24  .  ?        ?  
 735  11  1  A  25  VAL  A  25  .  ?        ?  
 736  11  1  A  26  LYS  A  26  .  ?        2  
 737  11  1  A  27  THR  A  27  .  ?        ?  
 738  11  1  A  28  ARG  A  28  .  ?        ?  
 739  11  1  A  29  ASP  A  29  .  ?        ?  
 740  11  1  A  30  ILE  A  30  .  ?        ?  
 741  11  1  A  31  ALA  A  31  .  ?        ?  
 742  11  1  A  32  ASP  A  32  .  ?        ?  
 743  11  1  A  33  ALA  A  33  .  ?        ?  
 744  11  1  A  34  ALA  A  34  .  ?        ?  
 745  11  1  A  35  GLY  A  35  .  ?        ?  
 746  11  1  A  36  LEU  A  36  .  ?        ?  
 747  11  1  A  37  SER  A  37  .  ?        ?  
 748  11  1  A  38  ILE  A  38  .  ?        ?  
 749  11  1  A  39  TYR  A  39  .  ?        ?  
 750  11  1  A  40  GLN  A  40  .  ?        ?  
 751  11  1  A  41  VAL  A  41  .  ?        ?  
 752  11  1  A  42  ARG  A  42  .  ?        ?  
 753  11  1  A  43  LEU  A  43  .  ?        ?  
 754  11  1  A  44  TYR  A  44  .  ?        ?  
 755  11  1  A  45  LEU  A  45  .  ?        ?  
 756  11  1  A  46  GLU  A  46  .  ?        ?  
 757  11  1  A  47  GLN  A  47  .  ?        ?  
 758  11  1  A  48  LEU  A  48  .  ?        ?  
 759  11  1  A  49  HIS  A  49  .  ?        ?  
 760  11  1  A  50  ASP  A  50  .  ?        ?  
 761  11  1  A  51  VAL  A  51  .  ?        ?  
 762  11  1  A  52  GLY  A  52  .  ?        ?  
 763  11  1  A  53  VAL  A  53  .  ?        ?  
 764  11  1  A  54  LEU  A  54  .  ?        ?  
 765  11  1  A  55  GLU  A  55  .  ?        ?  
 766  11  1  A  56  LYS  A  56  .  ?        ?  
 767  11  1  A  57  VAL  A  57  .  ?        ?  
 768  11  1  A  58  ASN  A  58  .  ?        ?  
 769  11  1  A  59  ALA  A  59  .  ?        ?  
 770  11  1  A  60  GLY  A  60  .  ?        ?  
 771  11  1  A  61  LYS  A  61  .  ?        ?  
 772  11  1  A  62  GLY  A  62  .  ?        ?  
 773  11  1  A  63  VAL  A  63  .  ?        ?  
 774  11  1  A  64  PRO  A  64  .  ?        ?  
 775  11  1  A  65  GLY  A  65  .  ?        ?  
 776  11  1  A  66  LEU  A  66  .  ?        ?  
 777  11  1  A  67  TRP  A  67  .  ?        ?  
 778  11  1  A  68  ARG  A  68  .  ?        ?  
 779  11  1  A  69  LEU  A  69  .  ?        ?  
 780  11  1  A  70  LEU  A  70  .  ?        ?  
 781  11  1  A  71  GLU  A  71  .  ?        ?  
 782  12  1  A   1  MET  A   1  .  ?        ?  
 783  12  1  A   2  SER  A   2  .  ?        ?  
 784  12  1  A   3  GLU  A   3  .  ?        ?  
 785  12  1  A   4  SER  A   4  .  ?        ?  
 786  12  1  A   5  ILE  A   5  .  ?        1  
 787  12  1  A   6  VAL  A   6  .  ?        ?  
 788  12  1  A   7  THR  A   7  .  ?        ?  
 789  12  1  A   8  LYS  A   8  .  ?        ?  
 790  12  1  A   9  ILE  A   9  .  ?        ?  
 791  12  1  A  10  ILE  A  10  .  ?        ?  
 792  12  1  A  11  SER  A  11  .  ?        ?  
 793  12  1  A  12  ILE  A  12  .  ?        ?  
 794  12  1  A  13  VAL  A  13  .  ?        ?  
 795  12  1  A  14  GLN  A  14  .  ?        ?  
 796  12  1  A  15  GLU  A  15  .  ?        ?  
 797  12  1  A  16  ARG  A  16  .  ?        ?  
 798  12  1  A  17  GLN  A  17  .  ?        1  
 799  12  1  A  18  ASN  A  18  .  ?        ?  
 800  12  1  A  19  MET  A  19  .  ?        ?  
 801  12  1  A  20  ASP  A  20  .  ?        ?  
 802  12  1  A  21  ASP  A  21  .  ?        1  
 803  12  1  A  22  GLY  A  22  .  ?        ?  
 804  12  1  A  23  ALA  A  23  .  ?        ?  
 805  12  1  A  24  PRO  A  24  .  ?        ?  
 806  12  1  A  25  VAL  A  25  .  ?        ?  
 807  12  1  A  26  LYS  A  26  .  ?        ?  
 808  12  1  A  27  THR  A  27  .  ?        ?  
 809  12  1  A  28  ARG  A  28  .  ?        ?  
 810  12  1  A  29  ASP  A  29  .  ?        ?  
 811  12  1  A  30  ILE  A  30  .  ?        ?  
 812  12  1  A  31  ALA  A  31  .  ?        ?  
 813  12  1  A  32  ASP  A  32  .  ?        ?  
 814  12  1  A  33  ALA  A  33  .  ?        ?  
 815  12  1  A  34  ALA  A  34  .  ?        ?  
 816  12  1  A  35  GLY  A  35  .  ?        ?  
 817  12  1  A  36  LEU  A  36  .  ?        1  
 818  12  1  A  37  SER  A  37  .  ?        ?  
 819  12  1  A  38  ILE  A  38  .  ?        ?  
 820  12  1  A  39  TYR  A  39  .  ?        ?  
 821  12  1  A  40  GLN  A  40  .  ?        ?  
 822  12  1  A  41  VAL  A  41  .  ?        ?  
 823  12  1  A  42  ARG  A  42  .  ?        ?  
 824  12  1  A  43  LEU  A  43  .  ?        ?  
 825  12  1  A  44  TYR  A  44  .  ?        ?  
 826  12  1  A  45  LEU  A  45  .  ?        ?  
 827  12  1  A  46  GLU  A  46  .  ?        ?  
 828  12  1  A  47  GLN  A  47  .  ?        ?  
 829  12  1  A  48  LEU  A  48  .  ?        ?  
 830  12  1  A  49  HIS  A  49  .  ?        ?  
 831  12  1  A  50  ASP  A  50  .  ?        ?  
 832  12  1  A  51  VAL  A  51  .  ?        ?  
 833  12  1  A  52  GLY  A  52  .  ?        ?  
 834  12  1  A  53  VAL  A  53  .  ?        ?  
 835  12  1  A  54  LEU  A  54  .  ?        ?  
 836  12  1  A  55  GLU  A  55  .  ?        ?  
 837  12  1  A  56  LYS  A  56  .  ?        ?  
 838  12  1  A  57  VAL  A  57  .  ?        ?  
 839  12  1  A  58  ASN  A  58  .  ?        ?  
 840  12  1  A  59  ALA  A  59  .  ?        ?  
 841  12  1  A  60  GLY  A  60  .  ?        ?  
 842  12  1  A  61  LYS  A  61  .  ?        ?  
 843  12  1  A  62  GLY  A  62  .  ?        ?  
 844  12  1  A  63  VAL  A  63  .  ?        ?  
 845  12  1  A  64  PRO  A  64  .  ?        ?  
 846  12  1  A  65  GLY  A  65  .  ?        ?  
 847  12  1  A  66  LEU  A  66  .  ?        ?  
 848  12  1  A  67  TRP  A  67  .  ?        ?  
 849  12  1  A  68  ARG  A  68  .  ?        ?  
 850  12  1  A  69  LEU  A  69  .  ?        ?  
 851  12  1  A  70  LEU  A  70  .  ?        2  
 852  12  1  A  71  GLU  A  71  .  ?        ?  
 853  13  1  A   1  MET  A   1  .  ?        ?  
 854  13  1  A   2  SER  A   2  .  ?        ?  
 855  13  1  A   3  GLU  A   3  .  ?        ?  
 856  13  1  A   4  SER  A   4  .  ?        ?  
 857  13  1  A   5  ILE  A   5  .  ?        ?  
 858  13  1  A   6  VAL  A   6  .  ?        ?  
 859  13  1  A   7  THR  A   7  .  ?        ?  
 860  13  1  A   8  LYS  A   8  .  ?        1  
 861  13  1  A   9  ILE  A   9  .  ?        ?  
 862  13  1  A  10  ILE  A  10  .  ?        ?  
 863  13  1  A  11  SER  A  11  .  ?        ?  
 864  13  1  A  12  ILE  A  12  .  ?        1  
 865  13  1  A  13  VAL  A  13  .  ?        ?  
 866  13  1  A  14  GLN  A  14  .  ?        ?  
 867  13  1  A  15  GLU  A  15  .  ?        ?  
 868  13  1  A  16  ARG  A  16  .  ?        ?  
 869  13  1  A  17  GLN  A  17  .  ?        ?  
 870  13  1  A  18  ASN  A  18  .  ?        ?  
 871  13  1  A  19  MET  A  19  .  ?        ?  
 872  13  1  A  20  ASP  A  20  .  ?        ?  
 873  13  1  A  21  ASP  A  21  .  ?        ?  
 874  13  1  A  22  GLY  A  22  .  ?        ?  
 875  13  1  A  23  ALA  A  23  .  ?        ?  
 876  13  1  A  24  PRO  A  24  .  ?        ?  
 877  13  1  A  25  VAL  A  25  .  ?        ?  
 878  13  1  A  26  LYS  A  26  .  ?        ?  
 879  13  1  A  27  THR  A  27  .  ?        ?  
 880  13  1  A  28  ARG  A  28  .  ?        ?  
 881  13  1  A  29  ASP  A  29  .  ?        ?  
 882  13  1  A  30  ILE  A  30  .  ?        ?  
 883  13  1  A  31  ALA  A  31  .  ?        ?  
 884  13  1  A  32  ASP  A  32  .  ?        ?  
 885  13  1  A  33  ALA  A  33  .  ?        ?  
 886  13  1  A  34  ALA  A  34  .  ?        ?  
 887  13  1  A  35  GLY  A  35  .  ?        ?  
 888  13  1  A  36  LEU  A  36  .  ?        ?  
 889  13  1  A  37  SER  A  37  .  ?        ?  
 890  13  1  A  38  ILE  A  38  .  ?        ?  
 891  13  1  A  39  TYR  A  39  .  ?        ?  
 892  13  1  A  40  GLN  A  40  .  ?        ?  
 893  13  1  A  41  VAL  A  41  .  ?        ?  
 894  13  1  A  42  ARG  A  42  .  ?        ?  
 895  13  1  A  43  LEU  A  43  .  ?        ?  
 896  13  1  A  44  TYR  A  44  .  ?        ?  
 897  13  1  A  45  LEU  A  45  .  ?        ?  
 898  13  1  A  46  GLU  A  46  .  ?        ?  
 899  13  1  A  47  GLN  A  47  .  ?        ?  
 900  13  1  A  48  LEU  A  48  .  ?        ?  
 901  13  1  A  49  HIS  A  49  .  ?        ?  
 902  13  1  A  50  ASP  A  50  .  ?        ?  
 903  13  1  A  51  VAL  A  51  .  ?        ?  
 904  13  1  A  52  GLY  A  52  .  ?        ?  
 905  13  1  A  53  VAL  A  53  .  ?        ?  
 906  13  1  A  54  LEU  A  54  .  ?        ?  
 907  13  1  A  55  GLU  A  55  .  ?        ?  
 908  13  1  A  56  LYS  A  56  .  ?        ?  
 909  13  1  A  57  VAL  A  57  .  ?        ?  
 910  13  1  A  58  ASN  A  58  .  ?        ?  
 911  13  1  A  59  ALA  A  59  .  ?        1  
 912  13  1  A  60  GLY  A  60  .  ?        ?  
 913  13  1  A  61  LYS  A  61  .  ?        ?  
 914  13  1  A  62  GLY  A  62  .  ?        ?  
 915  13  1  A  63  VAL  A  63  .  ?        1  
 916  13  1  A  64  PRO  A  64  .  ?        ?  
 917  13  1  A  65  GLY  A  65  .  ?        ?  
 918  13  1  A  66  LEU  A  66  .  ?        ?  
 919  13  1  A  67  TRP  A  67  .  ?        ?  
 920  13  1  A  68  ARG  A  68  .  ?        ?  
 921  13  1  A  69  LEU  A  69  .  ?        ?  
 922  13  1  A  70  LEU  A  70  .  ?        ?  
 923  13  1  A  71  GLU  A  71  .  ?        ?  
 924  14  1  A   1  MET  A   1  .  ?        ?  
 925  14  1  A   2  SER  A   2  .  ?        ?  
 926  14  1  A   3  GLU  A   3  .  ?        ?  
 927  14  1  A   4  SER  A   4  .  ?        ?  
 928  14  1  A   5  ILE  A   5  .  ?        ?  
 929  14  1  A   6  VAL  A   6  .  ?        ?  
 930  14  1  A   7  THR  A   7  .  ?        ?  
 931  14  1  A   8  LYS  A   8  .  ?        1  
 932  14  1  A   9  ILE  A   9  .  ?        ?  
 933  14  1  A  10  ILE  A  10  .  ?        ?  
 934  14  1  A  11  SER  A  11  .  ?        ?  
 935  14  1  A  12  ILE  A  12  .  ?        2  
 936  14  1  A  13  VAL  A  13  .  ?        ?  
 937  14  1  A  14  GLN  A  14  .  ?        ?  
 938  14  1  A  15  GLU  A  15  .  ?        ?  
 939  14  1  A  16  ARG  A  16  .  ?        1  
 940  14  1  A  17  GLN  A  17  .  ?        ?  
 941  14  1  A  18  ASN  A  18  .  ?        ?  
 942  14  1  A  19  MET  A  19  .  ?        ?  
 943  14  1  A  20  ASP  A  20  .  ?        ?  
 944  14  1  A  21  ASP  A  21  .  ?        ?  
 945  14  1  A  22  GLY  A  22  .  ?        ?  
 946  14  1  A  23  ALA  A  23  .  ?        ?  
 947  14  1  A  24  PRO  A  24  .  ?        ?  
 948  14  1  A  25  VAL  A  25  .  ?        ?  
 949  14  1  A  26  LYS  A  26  .  ?        2  
 950  14  1  A  27  THR  A  27  .  ?        ?  
 951  14  1  A  28  ARG  A  28  .  ?        ?  
 952  14  1  A  29  ASP  A  29  .  ?        ?  
 953  14  1  A  30  ILE  A  30  .  ?        ?  
 954  14  1  A  31  ALA  A  31  .  ?        ?  
 955  14  1  A  32  ASP  A  32  .  ?        ?  
 956  14  1  A  33  ALA  A  33  .  ?        ?  
 957  14  1  A  34  ALA  A  34  .  ?        ?  
 958  14  1  A  35  GLY  A  35  .  ?        ?  
 959  14  1  A  36  LEU  A  36  .  ?        ?  
 960  14  1  A  37  SER  A  37  .  ?        ?  
 961  14  1  A  38  ILE  A  38  .  ?        ?  
 962  14  1  A  39  TYR  A  39  .  ?        ?  
 963  14  1  A  40  GLN  A  40  .  ?        ?  
 964  14  1  A  41  VAL  A  41  .  ?        ?  
 965  14  1  A  42  ARG  A  42  .  ?        ?  
 966  14  1  A  43  LEU  A  43  .  ?        ?  
 967  14  1  A  44  TYR  A  44  .  ?        ?  
 968  14  1  A  45  LEU  A  45  .  ?        ?  
 969  14  1  A  46  GLU  A  46  .  ?        ?  
 970  14  1  A  47  GLN  A  47  .  ?        ?  
 971  14  1  A  48  LEU  A  48  .  ?        ?  
 972  14  1  A  49  HIS  A  49  .  ?        ?  
 973  14  1  A  50  ASP  A  50  .  ?        ?  
 974  14  1  A  51  VAL  A  51  .  ?        ?  
 975  14  1  A  52  GLY  A  52  .  ?        ?  
 976  14  1  A  53  VAL  A  53  .  ?        ?  
 977  14  1  A  54  LEU  A  54  .  ?        ?  
 978  14  1  A  55  GLU  A  55  .  ?        ?  
 979  14  1  A  56  LYS  A  56  .  ?        ?  
 980  14  1  A  57  VAL  A  57  .  ?        ?  
 981  14  1  A  58  ASN  A  58  .  ?        ?  
 982  14  1  A  59  ALA  A  59  .  ?        ?  
 983  14  1  A  60  GLY  A  60  .  ?        ?  
 984  14  1  A  61  LYS  A  61  .  ?        ?  
 985  14  1  A  62  GLY  A  62  .  ?        ?  
 986  14  1  A  63  VAL  A  63  .  ?        ?  
 987  14  1  A  64  PRO  A  64  .  ?        ?  
 988  14  1  A  65  GLY  A  65  .  ?        ?  
 989  14  1  A  66  LEU  A  66  .  ?        ?  
 990  14  1  A  67  TRP  A  67  .  ?        ?  
 991  14  1  A  68  ARG  A  68  .  ?        ?  
 992  14  1  A  69  LEU  A  69  .  ?        ?  
 993  14  1  A  70  LEU  A  70  .  ?        ?  
 994  14  1  A  71  GLU  A  71  .  ?        ?  
 995  15  1  A   1  MET  A   1  .  ?        ?  
 996  15  1  A   2  SER  A   2  .  ?        ?  
 997  15  1  A   3  GLU  A   3  .  ?        ?  
 998  15  1  A   4  SER  A   4  .  ?        ?  
 999  15  1  A   5  ILE  A   5  .  ?        ?  
1000  15  1  A   6  VAL  A   6  .  ?        ?  
1001  15  1  A   7  THR  A   7  .  ?        ?  
1002  15  1  A   8  LYS  A   8  .  ?        1  
1003  15  1  A   9  ILE  A   9  .  ?        ?  
1004  15  1  A  10  ILE  A  10  .  ?        ?  
1005  15  1  A  11  SER  A  11  .  ?        ?  
1006  15  1  A  12  ILE  A  12  .  ?        1  
1007  15  1  A  13  VAL  A  13  .  ?        ?  
1008  15  1  A  14  GLN  A  14  .  ?        ?  
1009  15  1  A  15  GLU  A  15  .  ?        ?  
1010  15  1  A  16  ARG  A  16  .  ?        ?  
1011  15  1  A  17  GLN  A  17  .  ?        ?  
1012  15  1  A  18  ASN  A  18  .  ?        ?  
1013  15  1  A  19  MET  A  19  .  ?        ?  
1014  15  1  A  20  ASP  A  20  .  ?        ?  
1015  15  1  A  21  ASP  A  21  .  ?        ?  
1016  15  1  A  22  GLY  A  22  .  ?        ?  
1017  15  1  A  23  ALA  A  23  .  ?        ?  
1018  15  1  A  24  PRO  A  24  .  ?        ?  
1019  15  1  A  25  VAL  A  25  .  ?        ?  
1020  15  1  A  26  LYS  A  26  .  ?        2  
1021  15  1  A  27  THR  A  27  .  ?        ?  
1022  15  1  A  28  ARG  A  28  .  ?        ?  
1023  15  1  A  29  ASP  A  29  .  ?        ?  
1024  15  1  A  30  ILE  A  30  .  ?        ?  
1025  15  1  A  31  ALA  A  31  .  ?        ?  
1026  15  1  A  32  ASP  A  32  .  ?        ?  
1027  15  1  A  33  ALA  A  33  .  ?        ?  
1028  15  1  A  34  ALA  A  34  .  ?        ?  
1029  15  1  A  35  GLY  A  35  .  ?        ?  
1030  15  1  A  36  LEU  A  36  .  ?        ?  
1031  15  1  A  37  SER  A  37  .  ?        ?  
1032  15  1  A  38  ILE  A  38  .  ?        ?  
1033  15  1  A  39  TYR  A  39  .  ?        ?  
1034  15  1  A  40  GLN  A  40  .  ?        ?  
1035  15  1  A  41  VAL  A  41  .  ?        ?  
1036  15  1  A  42  ARG  A  42  .  ?        ?  
1037  15  1  A  43  LEU  A  43  .  ?        1  
1038  15  1  A  44  TYR  A  44  .  ?        ?  
1039  15  1  A  45  LEU  A  45  .  ?        ?  
1040  15  1  A  46  GLU  A  46  .  ?        ?  
1041  15  1  A  47  GLN  A  47  .  ?        1  
1042  15  1  A  48  LEU  A  48  .  ?        ?  
1043  15  1  A  49  HIS  A  49  .  ?        ?  
1044  15  1  A  50  ASP  A  50  .  ?        ?  
1045  15  1  A  51  VAL  A  51  .  ?        ?  
1046  15  1  A  52  GLY  A  52  .  ?        ?  
1047  15  1  A  53  VAL  A  53  .  ?        ?  
1048  15  1  A  54  LEU  A  54  .  ?        ?  
1049  15  1  A  55  GLU  A  55  .  ?        ?  
1050  15  1  A  56  LYS  A  56  .  ?        ?  
1051  15  1  A  57  VAL  A  57  .  ?        ?  
1052  15  1  A  58  ASN  A  58  .  ?        ?  
1053  15  1  A  59  ALA  A  59  .  ?        ?  
1054  15  1  A  60  GLY  A  60  .  ?        ?  
1055  15  1  A  61  LYS  A  61  .  ?        ?  
1056  15  1  A  62  GLY  A  62  .  ?        ?  
1057  15  1  A  63  VAL  A  63  .  ?        ?  
1058  15  1  A  64  PRO  A  64  .  ?        ?  
1059  15  1  A  65  GLY  A  65  .  ?        ?  
1060  15  1  A  66  LEU  A  66  .  ?        ?  
1061  15  1  A  67  TRP  A  67  .  ?        ?  
1062  15  1  A  68  ARG  A  68  .  ?        ?  
1063  15  1  A  69  LEU  A  69  .  ?        2  
1064  15  1  A  70  LEU  A  70  .  ?        ?  
1065  15  1  A  71  GLU  A  71  .  ?        ?  
1066  16  1  A   1  MET  A   1  .  ?        ?  
1067  16  1  A   2  SER  A   2  .  ?        ?  
1068  16  1  A   3  GLU  A   3  .  ?        ?  
1069  16  1  A   4  SER  A   4  .  ?        ?  
1070  16  1  A   5  ILE  A   5  .  ?        ?  
1071  16  1  A   6  VAL  A   6  .  ?        ?  
1072  16  1  A   7  THR  A   7  .  ?        ?  
1073  16  1  A   8  LYS  A   8  .  ?        ?  
1074  16  1  A   9  ILE  A   9  .  ?        ?  
1075  16  1  A  10  ILE  A  10  .  ?        ?  
1076  16  1  A  11  SER  A  11  .  ?        ?  
1077  16  1  A  12  ILE  A  12  .  ?        ?  
1078  16  1  A  13  VAL  A  13  .  ?        1  
1079  16  1  A  14  GLN  A  14  .  ?        ?  
1080  16  1  A  15  GLU  A  15  .  ?        ?  
1081  16  1  A  16  ARG  A  16  .  ?        ?  
1082  16  1  A  17  GLN  A  17  .  ?        1  
1083  16  1  A  18  ASN  A  18  .  ?        ?  
1084  16  1  A  19  MET  A  19  .  ?        ?  
1085  16  1  A  20  ASP  A  20  .  ?        1  
1086  16  1  A  21  ASP  A  21  .  ?        ?  
1087  16  1  A  22  GLY  A  22  .  ?        ?  
1088  16  1  A  23  ALA  A  23  .  ?        2  
1089  16  1  A  24  PRO  A  24  .  ?        ?  
1090  16  1  A  25  VAL  A  25  .  ?        1  
1091  16  1  A  26  LYS  A  26  .  ?        ?  
1092  16  1  A  27  THR  A  27  .  ?        ?  
1093  16  1  A  28  ARG  A  28  .  ?        ?  
1094  16  1  A  29  ASP  A  29  .  ?        ?  
1095  16  1  A  30  ILE  A  30  .  ?        ?  
1096  16  1  A  31  ALA  A  31  .  ?        ?  
1097  16  1  A  32  ASP  A  32  .  ?        ?  
1098  16  1  A  33  ALA  A  33  .  ?        ?  
1099  16  1  A  34  ALA  A  34  .  ?        ?  
1100  16  1  A  35  GLY  A  35  .  ?        ?  
1101  16  1  A  36  LEU  A  36  .  ?        ?  
1102  16  1  A  37  SER  A  37  .  ?        ?  
1103  16  1  A  38  ILE  A  38  .  ?        ?  
1104  16  1  A  39  TYR  A  39  .  ?        1  
1105  16  1  A  40  GLN  A  40  .  ?        ?  
1106  16  1  A  41  VAL  A  41  .  ?        ?  
1107  16  1  A  42  ARG  A  42  .  ?        ?  
1108  16  1  A  43  LEU  A  43  .  ?        1  
1109  16  1  A  44  TYR  A  44  .  ?        ?  
1110  16  1  A  45  LEU  A  45  .  ?        ?  
1111  16  1  A  46  GLU  A  46  .  ?        ?  
1112  16  1  A  47  GLN  A  47  .  ?        ?  
1113  16  1  A  48  LEU  A  48  .  ?        ?  
1114  16  1  A  49  HIS  A  49  .  ?        ?  
1115  16  1  A  50  ASP  A  50  .  ?        ?  
1116  16  1  A  51  VAL  A  51  .  ?        ?  
1117  16  1  A  52  GLY  A  52  .  ?        ?  
1118  16  1  A  53  VAL  A  53  .  ?        ?  
1119  16  1  A  54  LEU  A  54  .  ?        ?  
1120  16  1  A  55  GLU  A  55  .  ?        ?  
1121  16  1  A  56  LYS  A  56  .  ?        4  
1122  16  1  A  57  VAL  A  57  .  ?        ?  
1123  16  1  A  58  ASN  A  58  .  ?        ?  
1124  16  1  A  59  ALA  A  59  .  ?        ?  
1125  16  1  A  60  GLY  A  60  .  ?        ?  
1126  16  1  A  61  LYS  A  61  .  ?        ?  
1127  16  1  A  62  GLY  A  62  .  ?        ?  
1128  16  1  A  63  VAL  A  63  .  ?        ?  
1129  16  1  A  64  PRO  A  64  .  ?        ?  
1130  16  1  A  65  GLY  A  65  .  ?        ?  
1131  16  1  A  66  LEU  A  66  .  ?        ?  
1132  16  1  A  67  TRP  A  67  .  ?        ?  
1133  16  1  A  68  ARG  A  68  .  ?        ?  
1134  16  1  A  69  LEU  A  69  .  ?        ?  
1135  16  1  A  70  LEU  A  70  .  ?        ?  
1136  16  1  A  71  GLU  A  71  .  ?        ?  
1137  17  1  A   1  MET  A   1  .  ?        1  
1138  17  1  A   2  SER  A   2  .  ?        ?  
1139  17  1  A   3  GLU  A   3  .  ?        ?  
1140  17  1  A   4  SER  A   4  .  ?        ?  
1141  17  1  A   5  ILE  A   5  .  ?        ?  
1142  17  1  A   6  VAL  A   6  .  ?        1  
1143  17  1  A   7  THR  A   7  .  ?        ?  
1144  17  1  A   8  LYS  A   8  .  ?        ?  
1145  17  1  A   9  ILE  A   9  .  ?        ?  
1146  17  1  A  10  ILE  A  10  .  ?        ?  
1147  17  1  A  11  SER  A  11  .  ?        ?  
1148  17  1  A  12  ILE  A  12  .  ?        ?  
1149  17  1  A  13  VAL  A  13  .  ?        ?  
1150  17  1  A  14  GLN  A  14  .  ?        ?  
1151  17  1  A  15  GLU  A  15  .  ?        ?  
1152  17  1  A  16  ARG  A  16  .  ?        ?  
1153  17  1  A  17  GLN  A  17  .  ?        1  
1154  17  1  A  18  ASN  A  18  .  ?        ?  
1155  17  1  A  19  MET  A  19  .  ?        ?  
1156  17  1  A  20  ASP  A  20  .  ?        1  
1157  17  1  A  21  ASP  A  21  .  ?        ?  
1158  17  1  A  22  GLY  A  22  .  ?        ?  
1159  17  1  A  23  ALA  A  23  .  ?        2  
1160  17  1  A  24  PRO  A  24  .  ?        ?  
1161  17  1  A  25  VAL  A  25  .  ?        ?  
1162  17  1  A  26  LYS  A  26  .  ?        4  
1163  17  1  A  27  THR  A  27  .  ?        ?  
1164  17  1  A  28  ARG  A  28  .  ?        ?  
1165  17  1  A  29  ASP  A  29  .  ?        ?  
1166  17  1  A  30  ILE  A  30  .  ?        ?  
1167  17  1  A  31  ALA  A  31  .  ?        ?  
1168  17  1  A  32  ASP  A  32  .  ?        ?  
1169  17  1  A  33  ALA  A  33  .  ?        ?  
1170  17  1  A  34  ALA  A  34  .  ?        ?  
1171  17  1  A  35  GLY  A  35  .  ?        ?  
1172  17  1  A  36  LEU  A  36  .  ?        ?  
1173  17  1  A  37  SER  A  37  .  ?        ?  
1174  17  1  A  38  ILE  A  38  .  ?        ?  
1175  17  1  A  39  TYR  A  39  .  ?        ?  
1176  17  1  A  40  GLN  A  40  .  ?        ?  
1177  17  1  A  41  VAL  A  41  .  ?        ?  
1178  17  1  A  42  ARG  A  42  .  ?        ?  
1179  17  1  A  43  LEU  A  43  .  ?        ?  
1180  17  1  A  44  TYR  A  44  .  ?        ?  
1181  17  1  A  45  LEU  A  45  .  ?        1  
1182  17  1  A  46  GLU  A  46  .  ?        ?  
1183  17  1  A  47  GLN  A  47  .  ?        ?  
1184  17  1  A  48  LEU  A  48  .  ?        ?  
1185  17  1  A  49  HIS  A  49  .  ?        ?  
1186  17  1  A  50  ASP  A  50  .  ?        ?  
1187  17  1  A  51  VAL  A  51  .  ?        ?  
1188  17  1  A  52  GLY  A  52  .  ?        ?  
1189  17  1  A  53  VAL  A  53  .  ?        ?  
1190  17  1  A  54  LEU  A  54  .  ?        ?  
1191  17  1  A  55  GLU  A  55  .  ?        ?  
1192  17  1  A  56  LYS  A  56  .  ?        ?  
1193  17  1  A  57  VAL  A  57  .  ?        ?  
1194  17  1  A  58  ASN  A  58  .  ?        ?  
1195  17  1  A  59  ALA  A  59  .  ?        ?  
1196  17  1  A  60  GLY  A  60  .  ?        ?  
1197  17  1  A  61  LYS  A  61  .  ?        ?  
1198  17  1  A  62  GLY  A  62  .  ?        ?  
1199  17  1  A  63  VAL  A  63  .  ?        ?  
1200  17  1  A  64  PRO  A  64  .  ?        ?  
1201  17  1  A  65  GLY  A  65  .  ?        ?  
1202  17  1  A  66  LEU  A  66  .  ?        ?  
1203  17  1  A  67  TRP  A  67  .  ?        1  
1204  17  1  A  68  ARG  A  68  .  ?        ?  
1205  17  1  A  69  LEU  A  69  .  ?        ?  
1206  17  1  A  70  LEU  A  70  .  ?        ?  
1207  17  1  A  71  GLU  A  71  .  ?        ?  
1208  18  1  A   1  MET  A   1  .  ?        ?  
1209  18  1  A   2  SER  A   2  .  ?        ?  
1210  18  1  A   3  GLU  A   3  .  ?        ?  
1211  18  1  A   4  SER  A   4  .  ?        ?  
1212  18  1  A   5  ILE  A   5  .  ?        ?  
1213  18  1  A   6  VAL  A   6  .  ?        ?  
1214  18  1  A   7  THR  A   7  .  ?        ?  
1215  18  1  A   8  LYS  A   8  .  ?        1  
1216  18  1  A   9  ILE  A   9  .  ?        ?  
1217  18  1  A  10  ILE  A  10  .  ?        ?  
1218  18  1  A  11  SER  A  11  .  ?        ?  
1219  18  1  A  12  ILE  A  12  .  ?        1  
1220  18  1  A  13  VAL  A  13  .  ?        ?  
1221  18  1  A  14  GLN  A  14  .  ?        ?  
1222  18  1  A  15  GLU  A  15  .  ?        ?  
1223  18  1  A  16  ARG  A  16  .  ?        ?  
1224  18  1  A  17  GLN  A  17  .  ?        ?  
1225  18  1  A  18  ASN  A  18  .  ?        ?  
1226  18  1  A  19  MET  A  19  .  ?        ?  
1227  18  1  A  20  ASP  A  20  .  ?        ?  
1228  18  1  A  21  ASP  A  21  .  ?        ?  
1229  18  1  A  22  GLY  A  22  .  ?        ?  
1230  18  1  A  23  ALA  A  23  .  ?        ?  
1231  18  1  A  24  PRO  A  24  .  ?        ?  
1232  18  1  A  25  VAL  A  25  .  ?        ?  
1233  18  1  A  26  LYS  A  26  .  ?        2  
1234  18  1  A  27  THR  A  27  .  ?        ?  
1235  18  1  A  28  ARG  A  28  .  ?        1  
1236  18  1  A  29  ASP  A  29  .  ?        ?  
1237  18  1  A  30  ILE  A  30  .  ?        ?  
1238  18  1  A  31  ALA  A  31  .  ?        ?  
1239  18  1  A  32  ASP  A  32  .  ?        ?  
1240  18  1  A  33  ALA  A  33  .  ?        ?  
1241  18  1  A  34  ALA  A  34  .  ?        ?  
1242  18  1  A  35  GLY  A  35  .  ?        ?  
1243  18  1  A  36  LEU  A  36  .  ?        ?  
1244  18  1  A  37  SER  A  37  .  ?        ?  
1245  18  1  A  38  ILE  A  38  .  ?        1  
1246  18  1  A  39  TYR  A  39  .  ?        ?  
1247  18  1  A  40  GLN  A  40  .  ?        ?  
1248  18  1  A  41  VAL  A  41  .  ?        ?  
1249  18  1  A  42  ARG  A  42  .  ?        1  
1250  18  1  A  43  LEU  A  43  .  ?        ?  
1251  18  1  A  44  TYR  A  44  .  ?        ?  
1252  18  1  A  45  LEU  A  45  .  ?        ?  
1253  18  1  A  46  GLU  A  46  .  ?        1  
1254  18  1  A  47  GLN  A  47  .  ?        ?  
1255  18  1  A  48  LEU  A  48  .  ?        ?  
1256  18  1  A  49  HIS  A  49  .  ?        ?  
1257  18  1  A  50  ASP  A  50  .  ?        ?  
1258  18  1  A  51  VAL  A  51  .  ?        ?  
1259  18  1  A  52  GLY  A  52  .  ?        ?  
1260  18  1  A  53  VAL  A  53  .  ?        ?  
1261  18  1  A  54  LEU  A  54  .  ?        ?  
1262  18  1  A  55  GLU  A  55  .  ?        ?  
1263  18  1  A  56  LYS  A  56  .  ?        ?  
1264  18  1  A  57  VAL  A  57  .  ?        ?  
1265  18  1  A  58  ASN  A  58  .  ?        ?  
1266  18  1  A  59  ALA  A  59  .  ?        ?  
1267  18  1  A  60  GLY  A  60  .  ?        ?  
1268  18  1  A  61  LYS  A  61  .  ?        ?  
1269  18  1  A  62  GLY  A  62  .  ?        ?  
1270  18  1  A  63  VAL  A  63  .  ?        ?  
1271  18  1  A  64  PRO  A  64  .  ?        ?  
1272  18  1  A  65  GLY  A  65  .  ?        ?  
1273  18  1  A  66  LEU  A  66  .  ?        ?  
1274  18  1  A  67  TRP  A  67  .  ?        ?  
1275  18  1  A  68  ARG  A  68  .  ?        ?  
1276  18  1  A  69  LEU  A  69  .  ?        ?  
1277  18  1  A  70  LEU  A  70  .  ?        ?  
1278  18  1  A  71  GLU  A  71  .  ?        ?  
1279  19  1  A   1  MET  A   1  .  ?        ?  
1280  19  1  A   2  SER  A   2  .  ?        ?  
1281  19  1  A   3  GLU  A   3  .  ?        ?  
1282  19  1  A   4  SER  A   4  .  ?        ?  
1283  19  1  A   5  ILE  A   5  .  ?        ?  
1284  19  1  A   6  VAL  A   6  .  ?        ?  
1285  19  1  A   7  THR  A   7  .  ?        ?  
1286  19  1  A   8  LYS  A   8  .  ?        1  
1287  19  1  A   9  ILE  A   9  .  ?        ?  
1288  19  1  A  10  ILE  A  10  .  ?        ?  
1289  19  1  A  11  SER  A  11  .  ?        ?  
1290  19  1  A  12  ILE  A  12  .  ?        1  
1291  19  1  A  13  VAL  A  13  .  ?        ?  
1292  19  1  A  14  GLN  A  14  .  ?        ?  
1293  19  1  A  15  GLU  A  15  .  ?        ?  
1294  19  1  A  16  ARG  A  16  .  ?        ?  
1295  19  1  A  17  GLN  A  17  .  ?        1  
1296  19  1  A  18  ASN  A  18  .  ?        ?  
1297  19  1  A  19  MET  A  19  .  ?        ?  
1298  19  1  A  20  ASP  A  20  .  ?        ?  
1299  19  1  A  21  ASP  A  21  .  ?        1  
1300  19  1  A  22  GLY  A  22  .  ?        ?  
1301  19  1  A  23  ALA  A  23  .  ?        ?  
1302  19  1  A  24  PRO  A  24  .  ?        ?  
1303  19  1  A  25  VAL  A  25  .  ?        ?  
1304  19  1  A  26  LYS  A  26  .  ?        2  
1305  19  1  A  27  THR  A  27  .  ?        ?  
1306  19  1  A  28  ARG  A  28  .  ?        ?  
1307  19  1  A  29  ASP  A  29  .  ?        ?  
1308  19  1  A  30  ILE  A  30  .  ?        ?  
1309  19  1  A  31  ALA  A  31  .  ?        ?  
1310  19  1  A  32  ASP  A  32  .  ?        ?  
1311  19  1  A  33  ALA  A  33  .  ?        ?  
1312  19  1  A  34  ALA  A  34  .  ?        ?  
1313  19  1  A  35  GLY  A  35  .  ?        ?  
1314  19  1  A  36  LEU  A  36  .  ?        ?  
1315  19  1  A  37  SER  A  37  .  ?        ?  
1316  19  1  A  38  ILE  A  38  .  ?        ?  
1317  19  1  A  39  TYR  A  39  .  ?        1  
1318  19  1  A  40  GLN  A  40  .  ?        ?  
1319  19  1  A  41  VAL  A  41  .  ?        ?  
1320  19  1  A  42  ARG  A  42  .  ?        ?  
1321  19  1  A  43  LEU  A  43  .  ?        1  
1322  19  1  A  44  TYR  A  44  .  ?        ?  
1323  19  1  A  45  LEU  A  45  .  ?        ?  
1324  19  1  A  46  GLU  A  46  .  ?        ?  
1325  19  1  A  47  GLN  A  47  .  ?        ?  
1326  19  1  A  48  LEU  A  48  .  ?        ?  
1327  19  1  A  49  HIS  A  49  .  ?        ?  
1328  19  1  A  50  ASP  A  50  .  ?        ?  
1329  19  1  A  51  VAL  A  51  .  ?        ?  
1330  19  1  A  52  GLY  A  52  .  ?        ?  
1331  19  1  A  53  VAL  A  53  .  ?        ?  
1332  19  1  A  54  LEU  A  54  .  ?        ?  
1333  19  1  A  55  GLU  A  55  .  ?        1  
1334  19  1  A  56  LYS  A  56  .  ?        ?  
1335  19  1  A  57  VAL  A  57  .  ?        1  
1336  19  1  A  58  ASN  A  58  .  ?        1  
1337  19  1  A  59  ALA  A  59  .  ?        ?  
1338  19  1  A  60  GLY  A  60  .  ?        ?  
1339  19  1  A  61  LYS  A  61  .  ?        ?  
1340  19  1  A  62  GLY  A  62  .  ?        ?  
1341  19  1  A  63  VAL  A  63  .  ?        ?  
1342  19  1  A  64  PRO  A  64  .  ?        ?  
1343  19  1  A  65  GLY  A  65  .  ?        1  
1344  19  1  A  66  LEU  A  66  .  ?        1  
1345  19  1  A  67  TRP  A  67  .  ?        ?  
1346  19  1  A  68  ARG  A  68  .  ?        1  
1347  19  1  A  69  LEU  A  69  .  ?        ?  
1348  19  1  A  70  LEU  A  70  .  ?        ?  
1349  19  1  A  71  GLU  A  71  .  ?        ?  
1350  20  1  A   1  MET  A   1  .  ?        ?  
1351  20  1  A   2  SER  A   2  .  ?        ?  
1352  20  1  A   3  GLU  A   3  .  ?        ?  
1353  20  1  A   4  SER  A   4  .  ?        ?  
1354  20  1  A   5  ILE  A   5  .  ?        ?  
1355  20  1  A   6  VAL  A   6  .  ?        ?  
1356  20  1  A   7  THR  A   7  .  ?        ?  
1357  20  1  A   8  LYS  A   8  .  ?        ?  
1358  20  1  A   9  ILE  A   9  .  ?        ?  
1359  20  1  A  10  ILE  A  10  .  ?        ?  
1360  20  1  A  11  SER  A  11  .  ?        ?  
1361  20  1  A  12  ILE  A  12  .  ?        ?  
1362  20  1  A  13  VAL  A  13  .  ?        ?  
1363  20  1  A  14  GLN  A  14  .  ?        ?  
1364  20  1  A  15  GLU  A  15  .  ?        ?  
1365  20  1  A  16  ARG  A  16  .  ?        ?  
1366  20  1  A  17  GLN  A  17  .  ?        ?  
1367  20  1  A  18  ASN  A  18  .  ?        ?  
1368  20  1  A  19  MET  A  19  .  ?        ?  
1369  20  1  A  20  ASP  A  20  .  ?        ?  
1370  20  1  A  21  ASP  A  21  .  ?        ?  
1371  20  1  A  22  GLY  A  22  .  ?        ?  
1372  20  1  A  23  ALA  A  23  .  ?        ?  
1373  20  1  A  24  PRO  A  24  .  ?        ?  
1374  20  1  A  25  VAL  A  25  .  ?        ?  
1375  20  1  A  26  LYS  A  26  .  ?        2  
1376  20  1  A  27  THR  A  27  .  ?        ?  
1377  20  1  A  28  ARG  A  28  .  ?        ?  
1378  20  1  A  29  ASP  A  29  .  ?        ?  
1379  20  1  A  30  ILE  A  30  .  ?        ?  
1380  20  1  A  31  ALA  A  31  .  ?        ?  
1381  20  1  A  32  ASP  A  32  .  ?        ?  
1382  20  1  A  33  ALA  A  33  .  ?        ?  
1383  20  1  A  34  ALA  A  34  .  ?        ?  
1384  20  1  A  35  GLY  A  35  .  ?        ?  
1385  20  1  A  36  LEU  A  36  .  ?        ?  
1386  20  1  A  37  SER  A  37  .  ?        ?  
1387  20  1  A  38  ILE  A  38  .  ?        ?  
1388  20  1  A  39  TYR  A  39  .  ?        ?  
1389  20  1  A  40  GLN  A  40  .  ?        ?  
1390  20  1  A  41  VAL  A  41  .  ?        ?  
1391  20  1  A  42  ARG  A  42  .  ?        ?  
1392  20  1  A  43  LEU  A  43  .  ?        ?  
1393  20  1  A  44  TYR  A  44  .  ?        ?  
1394  20  1  A  45  LEU  A  45  .  ?        ?  
1395  20  1  A  46  GLU  A  46  .  ?        ?  
1396  20  1  A  47  GLN  A  47  .  ?        ?  
1397  20  1  A  48  LEU  A  48  .  ?        ?  
1398  20  1  A  49  HIS  A  49  .  ?        ?  
1399  20  1  A  50  ASP  A  50  .  ?        ?  
1400  20  1  A  51  VAL  A  51  .  ?        ?  
1401  20  1  A  52  GLY  A  52  .  ?        ?  
1402  20  1  A  53  VAL  A  53  .  ?        ?  
1403  20  1  A  54  LEU  A  54  .  ?        ?  
1404  20  1  A  55  GLU  A  55  .  ?        ?  
1405  20  1  A  56  LYS  A  56  .  ?        ?  
1406  20  1  A  57  VAL  A  57  .  ?        ?  
1407  20  1  A  58  ASN  A  58  .  ?        ?  
1408  20  1  A  59  ALA  A  59  .  ?        ?  
1409  20  1  A  60  GLY  A  60  .  ?        ?  
1410  20  1  A  61  LYS  A  61  .  ?        2  
1411  20  1  A  62  GLY  A  62  .  ?        ?  
1412  20  1  A  63  VAL  A  63  .  ?        ?  
1413  20  1  A  64  PRO  A  64  .  ?        ?  
1414  20  1  A  65  GLY  A  65  .  ?        ?  
1415  20  1  A  66  LEU  A  66  .  ?        ?  
1416  20  1  A  67  TRP  A  67  .  ?        ?  
1417  20  1  A  68  ARG  A  68  .  ?        ?  
1418  20  1  A  69  LEU  A  69  .  ?        ?  
1419  20  1  A  70  LEU  A  70  .  ?        ?  
1420  20  1  A  71  GLU  A  71  .  ?        ?  
#
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  mmt           ?       ?  ?        11   8  0.59  10  0.28  molprobity     ?  False  
   2     2  m        -155.7   -22.7  Allowed   5   6  0.57   8  0.45  molprobity     ?  False  
   3     3  OUTLIER   -46.7   -45.8  Favored   6   9  0.50  12  0.45  molprobity     ?  False  
   4     4  t          47.1   -79.7  OUTLIER   5   6  0.61   8  0.36  molprobity     ?  False  
   5     5  tp        -54.5   -35.8  Favored  11   8  0.39  11  0.33  molprobity     1  True   
   6     6  t         -63.6   -42.0  Favored   9   7  0.33  10  0.35  molprobity     1  True   
   7     7  m         -61.1   -41.1  Favored   7   7  0.47  10  0.47  molprobity     1  True   
   8     8  tttp      -57.3   -46.4  Favored  13   9  0.35  11  0.27  molprobity     1  True   
   9     9  mt        -56.0   -48.8  Favored  11   8  0.34  11  0.36  molprobity     1  True   
  10    10  mt        -57.1   -45.2  Favored  11   8  0.37  11  0.41  molprobity     1  True   
  11    11  t         -57.2   -45.9  Favored   5   6  0.55   8  0.28  molprobity     1  True   
  12    12  mt        -59.4   -45.1  Favored  11   8  0.31  11  0.37  molprobity     1  True   
  13    13  t         -58.0   -49.6  Favored   9   7  0.36  10  0.38  molprobity     1  True   
  14    14  tt0       -62.0   -52.7  Favored   8   9  0.38  12  0.35  molprobity     1  True   
  15    15  tt0       -65.2   -32.6  Favored   6   9  0.37  12  0.36  molprobity     1  True   
  16    16  mmm180    -65.7   -62.7  Allowed  13  11  1.31  14  0.34  molprobity     1  True   
  17    17  pt20      -56.6   -24.3  Favored   8   9  0.41  12  0.33  molprobity     1  True   
  18    18  t-20      -64.5   -41.0  Favored   6   8  0.40  11  0.31  molprobity     1  True   
  19    19  mtt       -82.2   -28.1  Favored   9   8  0.36  10  0.32  molprobity     1  True   
  20    20  m-20      -77.7   -10.5  Favored   4   8  0.28  11  0.52  molprobity     1  True   
  21    21  m-20       64.1   -74.8  OUTLIER   4   8  0.35  11  0.48  molprobity     1  True   
  22    22  ?        -106.4   -11.8  Favored   3   4  0.47   5  0.11  molprobity     1  True   
  23    23  ?        -103.3   141.4  Favored   5   5  0.38   8  0.58  molprobity     1  True   
  24    24  Cg_endo   -71.3  -176.6  Allowed   7   8  0.42  11  0.30  molprobity     1  True   
  25    25  t         -88.8   152.1  Favored   9   7  0.27  10  0.45  molprobity     1  True   
  26    26  mptt      -98.9   132.4  Favored  13   9  0.42  11  0.31  molprobity     1  True   
  27    27  m         -47.4   -47.2  Favored   7   7  0.60  10  0.55  molprobity     1  True   
  28    28  mtp180    -59.2   -55.8  Favored  13  11  1.29  14  0.54  molprobity     1  True   
  29    29  t70       -51.5   -39.6  Favored   4   8  0.33  11  0.39  molprobity     1  True   
  30    30  mt        -59.7   -41.4  Favored  11   8  0.31  11  0.42  molprobity     1  True   
  31    31  ?         -67.9   -39.4  Favored   5   5  0.25   7  0.19  molprobity     1  True   
  32    32  m-20      -60.8   -56.6  Favored   4   8  0.27  11  0.44  molprobity     1  True   
  33    33  ?         -59.3   -45.9  Favored   5   5  0.32   7  0.24  molprobity     1  True   
  34    34  ?         -75.0   -23.6  Favored   5   5  0.43   7  0.33  molprobity     1  True   
  35    35  ?          74.9    44.7  Favored   3   4  0.41   5  0.23  molprobity     1  True   
  36    36  mt       -126.9   178.7  Favored  11   8  0.44  11  0.30  molprobity     1  True   
  37    37  t         -87.0   147.9  Favored   5   6  0.47   8  0.27  molprobity     1  True   
  38    38  mm        -55.6   -44.4  Favored  11   8  0.39  11  0.48  molprobity     1  True   
  39    39  t80       -61.5   -53.9  Favored   9  13  0.37  18  0.20  molprobity     1  True   
  40    40  tp-100    -51.8   -49.1  Favored   8   9  0.47  12  0.38  molprobity     1  True   
  41    41  t         -60.4   -51.6  Favored   9   7  0.28  10  0.38  molprobity     1  True   
  42    42  ptm180    -60.8   -27.1  Favored  13  11  1.25  14  0.56  molprobity     1  True   
  43    43  mt        -62.5   -54.6  Favored  11   8  0.30  11  0.23  molprobity     1  True   
  44    44  m-85      -57.8   -47.5  Favored   9  13  0.37  18  0.26  molprobity     1  True   
  45    45  mt        -58.7   -43.8  Favored  11   8  0.39  11  0.24  molprobity     1  True   
  46    46  tt0       -67.1   -40.4  Favored   6   9  0.37  12  0.29  molprobity     1  True   
  47    47  mt-30     -63.4   -50.2  Favored   8   9  0.37  12  0.25  molprobity     1  True   
  48    48  mt        -58.5   -31.7  Favored  11   8  0.41  11  0.23  molprobity     1  True   
  49    49  t-80      -64.6   -54.6  Favored   7  11  0.25  15  0.26  molprobity     1  True   
  50    50  t70       -66.4   -26.3  Favored   4   8  0.29  11  0.40  molprobity     1  True   
  51    51  m         -85.3    -1.5  Favored   9   7  0.50  10  0.45  molprobity     1  True   
  52    52  ?         105.3   -14.8  Favored   3   4  0.56   5  0.43  molprobity     1  True   
  53    53  t         -62.4   -51.0  Favored   9   7  0.46  10  0.45  molprobity     1  True   
  54    54  mt       -114.8   154.2  Favored  11   8  0.40  11  0.22  molprobity     1  True   
  55    55  tp10     -121.7   147.3  Favored   6   9  0.56  12  0.43  molprobity     1  True   
  56    56  pttm      -81.7    95.4  Favored  13   9  0.42  11  0.44  molprobity     1  True   
  57    57  t         -85.6    84.0  Favored   9   7  0.34  10  0.37  molprobity     1  True   
  58    58  p-10     -154.6   152.5  Favored   6   8  0.36  11  0.26  molprobity     ?  False  
  59    59  ?         -66.9   -33.1  Favored   5   5  0.33   7  0.23  molprobity     ?  False  
  60    60  ?         151.6  -112.1  Allowed   3   4  0.43   5  0.16  molprobity     ?  False  
  61    61  mptt      -97.3   153.4  Favored  13   9  0.42  11  0.32  molprobity     ?  False  
  62    62  ?          85.4     4.9  Favored   3   4  0.47   5  0.11  molprobity     ?  False  
  63    63  m        -119.2   145.7  Favored   9   7  0.50  11  0.54  molprobity     ?  False  
  64    64  Cg_exo    -59.9   -24.5  Favored   7   8  0.47  11  0.30  molprobity     ?  False  
  65    65  ?          85.6   124.7  Allowed   3   4  0.45   5  0.19  molprobity     ?  False  
  66    66  mt       -111.8   136.2  Favored  11   8  0.38  11  0.20  molprobity     1  True   
  67    67  m95      -111.5   132.8  Favored  10  16  0.22  23  0.30  molprobity     1  True   
  68    68  ttt180   -136.8   138.1  Favored  13  11  1.21  14  0.49  molprobity     1  True   
  69    69  pp        -83.2   153.2  Favored  11   8  0.51  11  0.35  molprobity     1  True   
  70    70  pt?      -143.4   -49.8  Allowed  11   8  0.47  11  0.30  molprobity     1  True   
  71    71  mm-40         ?       ?  ?         6   8  0.69   9  0.49  molprobity     ?  False  
  72    72  mmt           ?       ?  ?        11   8  0.67  10  0.32  molprobity     ?  False  
  73    73  m        -102.1    21.6  Favored   5   6  0.52   8  0.34  molprobity     ?  False  
  74    74  mt-10    -101.1    21.4  Favored   6   9  0.38  12  0.54  molprobity     ?  False  
  75    75  p         -66.5    -6.2  Favored   5   6  0.59   8  0.30  molprobity     ?  False  
  76    76  mp        -56.4   -37.1  Favored  11   8  0.42  11  0.45  molprobity     1  True   
  77    77  t         -60.7   -53.0  Favored   9   7  0.38  10  0.39  molprobity     1  True   
  78    78  m         -60.4   -36.2  Favored   7   7  0.52  10  0.51  molprobity     1  True   
  79    79  tttp      -60.0   -49.0  Favored  13   9  0.34  11  0.18  molprobity     1  True   
  80    80  mt        -59.6   -43.0  Favored  11   8  0.32  11  0.34  molprobity     1  True   
  81    81  mt        -57.4   -43.6  Favored  11   8  0.36  11  0.46  molprobity     1  True   
  82    82  m         -66.2   -30.7  Favored   5   6  0.49   8  0.15  molprobity     1  True   
  83    83  mt        -67.1   -47.7  Favored  11   8  0.27  11  0.40  molprobity     1  True   
  84    84  t         -60.1   -45.4  Favored   9   7  0.28  10  0.42  molprobity     1  True   
  85    85  tp-100    -54.8   -48.2  Favored   8   9  0.43  12  0.47  molprobity     1  True   
  86    86  tt0       -57.2   -65.5  Allowed   6   9  0.38  12  0.39  molprobity     1  True   
  87    87  mmt180    -51.5   -51.9  Favored  13  11  1.19  14  0.66  molprobity     1  True   
  88    88  tt0       -57.4   -35.3  Favored   8   9  0.39  12  0.36  molprobity     1  True   
  89    89  m-20      -81.4   -26.5  Favored   6   8  0.39  11  0.22  molprobity     1  True   
  90    90  mmt       -71.2   -58.9  Favored   9   8  0.35  10  0.30  molprobity     1  True   
  91    91  m-20      -74.3   -29.5  Favored   4   8  0.27  11  0.46  molprobity     1  True   
  92    92  t70        69.1   -72.6  Allowed   4   8  0.34  11  0.45  molprobity     1  True   
  93    93  ?         -86.7    41.4  Favored   3   4  0.44   5  0.13  molprobity     1  True   
  94    94  ?        -160.2   140.3  Favored   5   5  0.41   8  0.58  molprobity     1  True   
  95    95  Cg_endo   -71.7   151.9  Favored   7   8  0.34  11  0.24  molprobity     1  True   
  96    96  t         -80.9   150.4  Favored   9   7  0.34  10  0.41  molprobity     1  True   
  97    97  OUTLIER  -112.2   150.2  Favored  13   9  0.37  11  0.39  molprobity     1  True   
  98    98  m         -55.6   -31.9  Favored   7   7  0.61  10  0.55  molprobity     1  True   
  99    99  mtm180    -64.2   -59.2  Favored  13  11  1.31  14  0.52  molprobity     1  True   
 100   100  OUTLIER   -67.5   -20.2  Favored   4   8  0.33  11  0.42  molprobity     1  True   
 101   101  mt        -67.9   -51.2  Favored  11   8  0.33  11  0.48  molprobity     1  True   
 102   102  ?         -58.1   -39.4  Favored   5   5  0.29   7  0.39  molprobity     1  True   
 103   103  t70       -51.8   -52.5  Favored   4   8  0.29  11  0.37  molprobity     1  True   
 104   104  ?         -73.2   -24.9  Favored   5   5  0.37   7  0.25  molprobity     1  True   
 105   105  ?         -81.7   -24.3  Favored   5   5  0.31   7  0.32  molprobity     1  True   
 106   106  ?          70.9    23.3  Favored   3   4  0.39   5  0.31  molprobity     1  True   
 107   107  mt       -118.1   178.2  Favored  11   8  0.38  11  0.32  molprobity     1  True   
 108   108  m         -82.5   149.2  Favored   5   6  0.42   8  0.26  molprobity     1  True   
 109   109  mm        -52.9   -42.0  Favored  11   8  0.38  11  0.49  molprobity     1  True   
 110   110  t80       -60.6   -59.8  Favored   9  13  0.34  18  0.30  molprobity     1  True   
 111   111  mm-40     -48.4   -58.0  Favored   8   9  0.44  12  0.43  molprobity     1  True   
 112   112  t         -53.3   -46.0  Favored   9   7  0.22  10  0.37  molprobity     1  True   
 113   113  tpt180    -60.9   -41.7  Favored  13  11  1.14  14  0.30  molprobity     1  True   
 114   114  mt        -55.5   -44.6  Favored  11   8  0.42  11  0.28  molprobity     1  True   
 115   115  m-85      -66.2   -41.7  Favored   9  13  0.37  18  0.27  molprobity     1  True   
 116   116  mt        -59.4   -45.4  Favored  11   8  0.42  11  0.24  molprobity     1  True   
 117   117  mm-40     -52.6   -52.7  Favored   6   9  0.35  12  0.45  molprobity     1  True   
 118   118  mm100     -65.9   -33.5  Favored   8   9  0.34  12  0.25  molprobity     1  True   
 119   119  mt        -64.9   -27.8  Favored  11   8  0.37  11  0.21  molprobity     1  True   
 120   120  t-80      -75.4   -37.6  Favored   7  11  0.27  15  0.32  molprobity     1  True   
 121   121  t70       -63.6   -43.6  Favored   4   8  0.35  11  0.41  molprobity     1  True   
 122   122  m         -80.1   -12.7  Favored   9   7  0.37  10  0.52  molprobity     1  True   
 123   123  ?          95.2    53.0  Allowed   3   4  0.55   5  0.23  molprobity     1  True   
 124   124  t        -124.8   -56.9  Favored   9   7  0.40  10  0.50  molprobity     1  True   
 125   125  mt       -100.0   138.8  Favored  11   8  0.32  11  0.31  molprobity     1  True   
 126   126  tp10     -109.5   160.5  Favored   6   9  0.41  12  0.36  molprobity     1  True   
 127   127  pttm     -100.1   136.2  Favored  13   9  0.37  11  0.32  molprobity     1  True   
 128   128  t        -121.1   127.4  Favored   9   7  0.34  10  0.37  molprobity     1  True   
 129   129  p30      -173.0  -176.9  Allowed   6   8  0.46  11  0.28  molprobity     ?  False  
 130   130  ?         -92.0   -36.2  Favored   5   5  0.44   7  0.29  molprobity     ?  False  
 131   131  ?         136.9   -77.1  Allowed   3   4  0.53   5  0.16  molprobity     ?  False  
 132   132  tttp      -95.6   128.1  Favored  13   9  0.47  11  0.30  molprobity     ?  False  
 133   133  ?          62.7    43.2  Favored   3   4  0.53   5  0.17  molprobity     ?  False  
 134   134  m        -134.2   154.1  Favored   9   7  0.36  11  0.52  molprobity     ?  False  
 135   135  Cg_endo   -78.6   119.3  Favored   7   8  0.42  11  0.27  molprobity     ?  False  
 136   136  ?         -59.6   105.5  Allowed   3   4  0.48   5  0.18  molprobity     ?  False  
 137   137  mt        -85.5   153.8  Favored  11   8  0.41  11  0.22  molprobity     1  True   
 138   138  m95      -109.2   137.1  Favored  10  16  0.25  23  0.27  molprobity     1  True   
 139   139  ttt180   -154.2   116.9  Favored  13  11  1.17  14  0.46  molprobity     1  True   
 140   140  pp        -66.0   174.4  Favored  11   8  0.50  11  0.47  molprobity     1  True   
 141   141  mt        -59.9    90.7  OUTLIER  11   8  0.42  11  0.31  molprobity     1  True   
 142   142  tt0           ?       ?  ?         6   8  0.57   9  0.55  molprobity     ?  False  
 143   143  ppp?          ?       ?  ?        11   8  0.68  10  0.36  molprobity     ?  False  
 144   144  m         -80.7    87.1  Favored   5   6  0.46   8  0.32  molprobity     ?  False  
 145   145  tp10     -106.5   149.0  Favored   6   9  0.41  12  0.36  molprobity     ?  False  
 146   146  t         -51.9   -34.4  Favored   5   6  0.59   8  0.30  molprobity     ?  False  
 147   147  tp        -69.9   -30.8  Favored  11   8  0.36  11  0.41  molprobity     1  True   
 148   148  t         -57.6   -37.2  Favored   9   7  0.39  10  0.35  molprobity     1  True   
 149   149  m         -54.3   -47.9  Favored   7   7  0.46  10  0.49  molprobity     1  True   
 150   150  tttt      -66.3   -40.4  Favored  13   9  0.36  11  0.36  molprobity     1  True   
 151   151  mt        -53.4   -47.3  Favored  11   8  0.36  11  0.37  molprobity     1  True   
 152   152  mt        -59.1   -43.9  Favored  11   8  0.35  11  0.40  molprobity     1  True   
 153   153  t         -61.2   -40.1  Favored   5   6  0.46   8  0.17  molprobity     1  True   
 154   154  mt        -61.7   -43.4  Favored  11   8  0.32  11  0.43  molprobity     1  True   
 155   155  t         -59.0   -47.6  Favored   9   7  0.36  10  0.39  molprobity     1  True   
 156   156  tt0       -60.5   -47.2  Favored   8   9  0.40  12  0.33  molprobity     1  True   
 157   157  OUTLIER   -58.0   -52.4  Favored   6   9  0.51  12  0.51  molprobity     1  True   
 158   158  OUTLIER   -62.1   -35.5  Favored  13  11  1.21  14  0.74  molprobity     1  True   
 159   159  mt-30     -62.9   -25.2  Favored   8   9  0.35  12  0.27  molprobity     1  True   
 160   160  m-20      -84.5   -20.9  Favored   6   8  0.36  11  0.38  molprobity     1  True   
 161   161  ptm       -89.2   -38.8  Favored   9   8  0.44  10  0.41  molprobity     1  True   
 162   162  m-20      -89.9   -41.5  Favored   4   8  0.36  11  0.45  molprobity     1  True   
 163   163  m-20       63.3   -74.6  OUTLIER   4   8  0.40  11  0.40  molprobity     1  True   
 164   164  ?         -67.4   -28.6  Favored   3   4  0.52   5  0.19  molprobity     1  True   
 165   165  ?        -105.4   147.0  Favored   5   5  0.39   8  0.43  molprobity     1  True   
 166   166  Cg_exo    -72.9   172.2  Favored   7   8  0.41  11  0.38  molprobity     1  True   
 167   167  t         -80.2   150.0  Favored   9   7  0.23  10  0.46  molprobity     1  True   
 168   168  OUTLIER  -100.0   145.9  Favored  13   9  0.37  11  0.29  molprobity     1  True   
 169   169  m         -54.4   -34.7  Favored   7   7  0.59  10  0.44  molprobity     1  True   
 170   170  mmm180    -62.4   -42.6  Favored  13  11  1.19  14  0.62  molprobity     1  True   
 171   171  m-20      -53.9   -43.0  Favored   4   8  0.28  11  0.34  molprobity     1  True   
 172   172  mp        -65.6   -50.1  Favored  11   8  0.37  11  0.49  molprobity     1  True   
 173   173  ?         -58.3   -58.6  Favored   5   5  0.34   7  0.36  molprobity     1  True   
 174   174  OUTLIER   -59.9   -42.4  Favored   4   8  0.33  11  0.53  molprobity     1  True   
 175   175  ?         -75.2   -34.3  Favored   5   5  0.47   7  0.27  molprobity     1  True   
 176   176  ?         -85.4   -21.2  Favored   5   5  0.40   7  0.32  molprobity     1  True   
 177   177  ?          84.8    22.2  Favored   3   4  0.46   5  0.19  molprobity     1  True   
 178   178  mt       -101.4   173.8  Favored  11   8  0.39  11  0.25  molprobity     1  True   
 179   179  t         -98.0   148.3  Favored   5   6  0.41   8  0.21  molprobity     1  True   
 180   180  mm        -50.6   -49.3  Favored  11   8  0.40  11  0.44  molprobity     1  True   
 181   181  t80       -51.4   -50.6  Favored   9  13  0.41  18  0.23  molprobity     1  True   
 182   182  tt0       -69.0   -40.3  Favored   8   9  0.38  12  0.26  molprobity     1  True   
 183   183  t         -60.5   -51.7  Favored   9   7  0.26  10  0.41  molprobity     1  True   
 184   184  ptm180    -57.4   -36.1  Favored  13  11  1.27  14  0.58  molprobity     1  True   
 185   185  mt        -60.2   -48.4  Favored  11   8  0.37  11  0.16  molprobity     1  True   
 186   186  m-85      -57.3   -48.0  Favored   9  13  0.38  18  0.39  molprobity     1  True   
 187   187  mt        -61.0   -43.8  Favored  11   8  0.42  11  0.22  molprobity     1  True   
 188   188  mt-10     -58.0   -52.2  Favored   6   9  0.35  12  0.44  molprobity     1  True   
 189   189  mm-40     -59.2   -40.3  Favored   8   9  0.38  12  0.25  molprobity     1  True   
 190   190  mt        -59.9   -40.1  Favored  11   8  0.40  11  0.19  molprobity     1  True   
 191   191  t60       -67.1   -40.2  Favored   7  11  0.29  15  0.26  molprobity     1  True   
 192   192  t70       -65.8   -43.4  Favored   4   8  0.29  11  0.36  molprobity     1  True   
 193   193  m         -78.3   -12.0  Favored   9   7  0.46  10  0.50  molprobity     1  True   
 194   194  ?          96.9    52.5  Allowed   3   4  0.56   5  0.21  molprobity     1  True   
 195   195  t        -124.2   -44.5  Allowed   9   7  0.40  10  0.43  molprobity     1  True   
 196   196  mt       -110.1   142.6  Favored  11   8  0.41  11  0.45  molprobity     1  True   
 197   197  tt0       -91.4   119.6  Favored   6   9  0.41  12  0.41  molprobity     1  True   
 198   198  tmtt?     -85.2    94.9  Favored  13   9  0.38  11  0.44  molprobity     1  True   
 199   199  t         -93.3   148.6  Favored   9   7  0.35  10  0.48  molprobity     1  True   
 200   200  t-20     -134.6   100.1  Favored   6   8  0.42  11  0.16  molprobity     ?  False  
 201   201  ?         -69.2    96.8  Allowed   5   5  0.44   7  0.33  molprobity     ?  False  
 202   202  ?          81.6   -92.2  Allowed   3   4  0.39   5  0.16  molprobity     ?  False  
 203   203  OUTLIER  -175.3   -36.6  OUTLIER  13   9  0.47  11  0.33  molprobity     ?  False  
 204   204  ?         -61.4   -29.6  Favored   3   4  0.52   5  0.13  molprobity     ?  False  
 205   205  m         -76.0   140.4  Favored   9   7  0.45  11  0.57  molprobity     ?  False  
 206   206  Cg_endo   -65.0   -36.1  Favored   7   8  0.43  11  0.31  molprobity     ?  False  
 207   207  ?         167.0   155.8  Favored   3   4  0.47   5  0.32  molprobity     ?  False  
 208   208  mt       -133.4   139.0  Favored  11   8  0.38  11  0.18  molprobity     1  True   
 209   209  m95      -116.0   123.4  Favored  10  16  0.26  23  0.36  molprobity     1  True   
 210   210  ttt180   -128.5   113.3  Favored  13  11  1.26  14  0.74  molprobity     1  True   
 211   211  pp        -63.5   149.9  Favored  11   8  0.55  11  0.45  molprobity     1  True   
 212   212  mt        -84.2   160.2  Favored  11   8  0.41  11  0.25  molprobity     1  True   
 213   213  pt-20         ?       ?  ?         6   8  0.69   9  0.52  molprobity     ?  False  
 214   214  mmt           ?       ?  ?        11   8  0.57  10  0.22  molprobity     ?  False  
 215   215  m         -71.5   -45.9  Favored   5   6  0.41   8  0.21  molprobity     ?  False  
 216   216  mt-10     -79.8   157.7  Favored   6   9  0.33  12  0.29  molprobity     ?  False  
 217   217  t        -115.8   111.4  Favored   5   6  0.43   8  0.30  molprobity     ?  False  
 218   218  mt        -65.9   -33.7  Favored  11   8  0.28  11  0.43  molprobity     1  True   
 219   219  t         -58.5   -54.9  Favored   9   7  0.34  10  0.35  molprobity     1  True   
 220   220  m         -61.0   -33.8  Favored   7   7  0.53  10  0.57  molprobity     1  True   
 221   221  tttp      -59.3   -49.4  Favored  13   9  0.33  11  0.27  molprobity     1  True   
 222   222  mt        -56.9   -49.7  Favored  11   8  0.31  11  0.36  molprobity     1  True   
 223   223  mt        -53.7   -42.6  Favored  11   8  0.36  11  0.46  molprobity     1  True   
 224   224  m         -62.8   -43.3  Favored   5   6  0.46   8  0.24  molprobity     1  True   
 225   225  mt        -61.1   -43.3  Favored  11   8  0.36  11  0.44  molprobity     1  True   
 226   226  t         -58.0   -52.1  Favored   9   7  0.40  10  0.36  molprobity     1  True   
 227   227  tt0       -63.7   -41.3  Favored   8   9  0.38  12  0.24  molprobity     1  True   
 228   228  tm-20     -51.6   -53.1  Favored   6   9  0.50  12  0.46  molprobity     1  True   
 229   229  mmp_?     -57.0   -46.8  Favored  13  11  1.24  14  0.45  molprobity     1  True   
 230   230  mt-30     -64.7   -38.1  Favored   8   9  0.43  12  0.31  molprobity     1  True   
 231   231  m-20      -77.8   -41.2  Favored   6   8  0.39  11  0.27  molprobity     1  True   
 232   232  mmt       -75.7   -45.5  Favored   9   8  0.37  10  0.57  molprobity     1  True   
 233   233  t70       -82.3   -25.8  Favored   4   8  0.30  11  0.51  molprobity     1  True   
 234   234  t70        67.3   105.0  OUTLIER   4   8  0.36  11  0.49  molprobity     1  True   
 235   235  ?          90.7   -31.0  Favored   3   4  0.52   5  0.20  molprobity     1  True   
 236   236  ?         -61.8   140.1  Favored   5   5  0.51   8  0.63  molprobity     1  True   
 237   237  Cg_endo   -80.2   146.4  Favored   7   8  0.38  11  0.21  molprobity     1  True   
 238   238  t         -85.7   138.5  Favored   9   7  0.29  10  0.47  molprobity     1  True   
 239   239  OUTLIER   -98.9   144.7  Favored  13   9  0.36  11  0.38  molprobity     1  True   
 240   240  m         -57.2   -32.7  Favored   7   7  0.44  10  0.46  molprobity     1  True   
 241   241  mmt180    -57.0   -57.5  Favored  13  11  1.17  14  0.26  molprobity     1  True   
 242   242  m-20      -54.6   -42.5  Favored   4   8  0.31  11  0.35  molprobity     1  True   
 243   243  mt        -63.5   -43.7  Favored  11   8  0.25  11  0.45  molprobity     1  True   
 244   244  ?         -60.1   -49.6  Favored   5   5  0.32   7  0.25  molprobity     1  True   
 245   245  m-20      -65.5   -42.9  Favored   4   8  0.27  11  0.37  molprobity     1  True   
 246   246  ?         -69.9   -35.5  Favored   5   5  0.41   7  0.26  molprobity     1  True   
 247   247  ?         -87.6   -24.1  Favored   5   5  0.41   7  0.31  molprobity     1  True   
 248   248  ?          79.3    37.4  Favored   3   4  0.52   5  0.16  molprobity     1  True   
 249   249  mt       -123.0   174.7  Favored  11   8  0.46  11  0.27  molprobity     1  True   
 250   250  m         -86.8   144.7  Favored   5   6  0.50   8  0.21  molprobity     1  True   
 251   251  mm        -47.1   -51.1  Favored  11   8  0.44  11  0.49  molprobity     1  True   
 252   252  t80       -54.4   -56.4  Favored   9  13  0.37  18  0.32  molprobity     1  True   
 253   253  tt0       -54.9   -49.0  Favored   8   9  0.40  12  0.38  molprobity     1  True   
 254   254  t         -54.7   -53.0  Favored   9   7  0.24  10  0.46  molprobity     1  True   
 255   255  ptm180    -65.8   -26.9  Favored  13  11  1.18  14  0.86  molprobity     1  True   
 256   256  mt        -58.3   -48.8  Favored  11   8  0.36  11  0.29  molprobity     1  True   
 257   257  m-85      -66.0   -34.1  Favored   9  13  0.35  18  0.20  molprobity     1  True   
 258   258  mt        -63.2   -46.1  Favored  11   8  0.43  11  0.13  molprobity     1  True   
 259   259  mp0       -55.7   -48.1  Favored   6   9  0.40  12  0.36  molprobity     1  True   
 260   260  mt-30     -56.8   -50.7  Favored   8   9  0.37  12  0.25  molprobity     1  True   
 261   261  mt        -58.5   -30.6  Favored  11   8  0.42  11  0.22  molprobity     1  True   
 262   262  t-80      -65.9   -46.0  Favored   7  11  0.28  15  0.31  molprobity     1  True   
 263   263  m-20      -79.8   -23.7  Favored   4   8  0.35  11  0.48  molprobity     1  True   
 264   264  m         -89.8     6.5  Favored   9   7  0.42  10  0.39  molprobity     1  True   
 265   265  ?          78.1    57.8  Favored   3   4  0.45   5  0.18  molprobity     1  True   
 266   266  t        -131.8   -51.9  Allowed   9   7  0.47  10  0.42  molprobity     1  True   
 267   267  mt        -97.0   144.0  Favored  11   8  0.42  11  0.49  molprobity     1  True   
 268   268  tp10     -102.0   153.2  Favored   6   9  0.38  12  0.41  molprobity     1  True   
 269   269  mppt?     -97.2   119.8  Favored  13   9  0.44  11  0.34  molprobity     1  True   
 270   270  t        -108.8   107.0  Favored   9   7  0.32  10  0.51  molprobity     1  True   
 271   271  t-20      -88.8   101.7  Favored   6   8  0.36  11  0.27  molprobity     ?  False  
 272   272  ?         -76.5   -11.4  Favored   5   5  0.45   7  0.47  molprobity     ?  False  
 273   273  ?         165.8   178.5  Favored   3   4  0.41   5  0.15  molprobity     ?  False  
 274   274  mmmt      -77.1    96.0  Favored  13   9  0.32  11  0.32  molprobity     ?  False  
 275   275  ?         142.6   -23.1  Favored   3   4  0.41   5  0.08  molprobity     ?  False  
 276   276  m         -80.5   137.7  Favored   9   7  0.42  11  0.54  molprobity     ?  False  
 277   277  Cg_endo   -65.7   -47.3  Favored   7   8  0.39  11  0.28  molprobity     ?  False  
 278   278  ?         159.1   117.7  Allowed   3   4  0.37   5  0.19  molprobity     ?  False  
 279   279  mt        -88.5   159.9  Favored  11   8  0.41  11  0.18  molprobity     1  True   
 280   280  m95      -106.2   132.8  Favored  10  16  0.23  23  0.38  molprobity     1  True   
 281   281  mtp180   -139.2  -168.6  Favored  13  11  1.20  14  1.02  molprobity     1  True   
 282   282  pp       -114.2   169.2  Favored  11   8  0.50  11  0.35  molprobity     1  True   
 283   283  mt        -68.1    92.9  Allowed  11   8  0.42  11  0.26  molprobity     1  True   
 284   284  tt0           ?       ?  ?         6   8  0.55   9  0.47  molprobity     ?  False  
 285   285  ttt           ?       ?  ?        11   8  0.58  10  0.39  molprobity     ?  False  
 286   286  t          67.2    31.4  Favored   5   6  0.72   8  0.34  molprobity     ?  False  
 287   287  pm0       -93.5    12.6  Favored   6   9  0.48  12  0.52  molprobity     ?  False  
 288   288  m         -60.4   -40.1  Favored   5   6  0.51   8  0.27  molprobity     ?  False  
 289   289  tt        -63.1   -31.6  Favored  11   8  0.30  11  0.36  molprobity     1  True   
 290   290  t         -69.1   -35.6  Favored   9   7  0.30  10  0.28  molprobity     1  True   
 291   291  m         -53.0   -43.5  Favored   7   7  0.50  10  0.61  molprobity     1  True   
 292   292  ttmt      -60.5   -48.5  Favored  13   9  0.35  11  0.20  molprobity     1  True   
 293   293  mt        -52.6   -47.2  Favored  11   8  0.40  11  0.39  molprobity     1  True   
 294   294  mt        -61.8   -45.6  Favored  11   8  0.34  11  0.38  molprobity     1  True   
 295   295  p         -68.0   -18.4  Favored   5   6  0.48   8  0.23  molprobity     1  True   
 296   296  mt        -75.0   -44.8  Favored  11   8  0.34  11  0.43  molprobity     1  True   
 297   297  t         -60.0   -41.5  Favored   9   7  0.31  10  0.40  molprobity     1  True   
 298   298  tp60      -65.4   -45.3  Favored   8   9  0.38  12  0.33  molprobity     1  True   
 299   299  tm-20     -51.1   -52.2  Favored   6   9  0.46  12  0.46  molprobity     1  True   
 300   300  mmt-85    -62.0   -37.7  Favored  13  11  1.18  14  0.70  molprobity     1  True   
 301   301  mt-30     -74.9   -13.0  Favored   8   9  0.44  12  0.27  molprobity     1  True   
 302   302  m-20      -82.6   -45.5  Favored   6   8  0.35  11  0.24  molprobity     1  True   
 303   303  mmm       -70.1   -65.2  Allowed   9   8  0.36  10  0.30  molprobity     1  True   
 304   304  m-20      -81.7   102.9  Favored   4   8  0.28  11  0.44  molprobity     1  True   
 305   305  m-20      -51.1    95.6  OUTLIER   4   8  0.38  11  0.43  molprobity     1  True   
 306   306  ?          65.9    33.0  Favored   3   4  0.48   5  0.14  molprobity     1  True   
 307   307  ?         -98.0   146.0  Favored   5   5  0.49   8  0.52  molprobity     1  True   
 308   308  Cg_endo   -65.3   131.6  Favored   7   8  0.38  11  0.26  molprobity     1  True   
 309   309  t         -82.6   147.9  Favored   9   7  0.29  10  0.44  molprobity     1  True   
 310   310  OUTLIER  -100.6   146.7  Favored  13   9  0.38  11  0.42  molprobity     1  True   
 311   311  m         -57.2   -32.5  Favored   7   7  0.55  10  0.46  molprobity     1  True   
 312   312  mpt_?     -60.8   -53.8  Favored  13  11  1.31  14  0.41  molprobity     1  True   
 313   313  m-20      -53.1   -47.6  Favored   4   8  0.26  11  0.40  molprobity     1  True   
 314   314  mt        -59.5   -43.8  Favored  11   8  0.30  11  0.40  molprobity     1  True   
 315   315  ?         -62.5   -54.3  Favored   5   5  0.31   7  0.24  molprobity     1  True   
 316   316  OUTLIER   -63.4   -43.9  Favored   4   8  0.30  11  0.35  molprobity     1  True   
 317   317  ?         -62.9   -37.8  Favored   5   5  0.31   7  0.21  molprobity     1  True   
 318   318  ?         -83.9   -18.6  Favored   5   5  0.46   7  0.25  molprobity     1  True   
 319   319  ?          78.9    20.7  Favored   3   4  0.52   5  0.14  molprobity     1  True   
 320   320  mt       -111.6   176.4  Favored  11   8  0.43  11  0.32  molprobity     1  True   
 321   321  m         -83.3   147.4  Favored   5   6  0.48   8  0.31  molprobity     1  True   
 322   322  mm        -50.6   -51.3  Favored  11   8  0.41  11  0.47  molprobity     1  True   
 323   323  t80       -60.8   -49.6  Favored   9  13  0.44  18  0.26  molprobity     1  True   
 324   324  tt0       -58.1   -50.4  Favored   8   9  0.41  12  0.32  molprobity     1  True   
 325   325  t         -55.4   -46.6  Favored   9   7  0.29  10  0.40  molprobity     1  True   
 326   326  ttt180    -53.1   -44.2  Favored  13  11  1.24  14  0.53  molprobity     1  True   
 327   327  mt        -54.7   -47.1  Favored  11   8  0.41  11  0.22  molprobity     1  True   
 328   328  m-85      -62.4   -46.3  Favored   9  13  0.36  18  0.21  molprobity     1  True   
 329   329  mt        -61.4   -40.9  Favored  11   8  0.39  11  0.21  molprobity     1  True   
 330   330  mt-10     -59.3   -42.2  Favored   6   9  0.35  12  0.35  molprobity     1  True   
 331   331  mm-40     -71.9   -33.1  Favored   8   9  0.40  12  0.23  molprobity     1  True   
 332   332  mt        -65.7   -29.1  Favored  11   8  0.38  11  0.20  molprobity     1  True   
 333   333  t-80      -73.4   -29.0  Favored   7  11  0.31  15  0.29  molprobity     1  True   
 334   334  t70       -74.0   -52.2  Favored   4   8  0.30  11  0.48  molprobity     1  True   
 335   335  m         -73.5   -11.0  Favored   9   7  0.45  10  0.55  molprobity     1  True   
 336   336  ?          96.5    49.1  Favored   3   4  0.54   5  0.24  molprobity     1  True   
 337   337  t        -118.7   -52.5  Favored   9   7  0.41  10  0.44  molprobity     1  True   
 338   338  mt       -114.9   148.6  Favored  11   8  0.36  11  0.31  molprobity     1  True   
 339   339  tp10     -112.0   133.7  Favored   6   9  0.43  12  0.42  molprobity     1  True   
 340   340  tptp      -85.7    97.9  Favored  13   9  0.37  11  0.45  molprobity     1  True   
 341   341  t         -69.0   112.3  Favored   9   7  0.33  10  0.46  molprobity     1  True   
 342   342  t30      -136.1   116.7  Favored   6   8  0.35  11  0.28  molprobity     ?  False  
 343   343  ?        -106.1    22.8  Favored   5   5  0.46   7  0.46  molprobity     ?  False  
 344   344  ?         156.3   175.4  Favored   3   4  0.41   5  0.13  molprobity     ?  False  
 345   345  tttp      -75.4   120.7  Favored  13   9  0.35  11  0.28  molprobity     ?  False  
 346   346  ?          72.4    49.6  Favored   3   4  0.50   5  0.19  molprobity     ?  False  
 347   347  m        -117.1   159.7  Favored   9   7  0.53  11  0.54  molprobity     ?  False  
 348   348  Cg_exo    -51.4   119.6  Favored   7   8  0.42  11  0.33  molprobity     ?  False  
 349   349  ?         -76.2   105.6  Favored   3   4  0.28   5  0.10  molprobity     ?  False  
 350   350  mt       -107.0   162.1  Favored  11   8  0.41  11  0.21  molprobity     1  True   
 351   351  m95      -124.4   133.5  Favored  10  16  0.25  23  0.26  molprobity     1  True   
 352   352  mtm180   -127.5   121.3  Favored  13  11  1.12  14  0.35  molprobity     1  True   
 353   353  pp        -70.0   147.6  Favored  11   8  0.47  11  0.39  molprobity     1  True   
 354   354  mt        -81.0    86.0  Favored  11   8  0.37  11  0.31  molprobity     1  True   
 355   355  mt-10         ?       ?  ?         6   8  0.71   9  0.50  molprobity     ?  False  
 356   356  mtt           ?       ?  ?        11   8  0.62  10  0.34  molprobity     ?  False  
 357   357  t          61.6    15.8  Favored   5   6  0.56   8  0.28  molprobity     ?  False  
 358   358  mt-10     -81.5    93.9  Favored   6   9  0.33  12  0.42  molprobity     ?  False  
 359   359  p        -102.0   116.2  Favored   5   6  0.49   8  0.30  molprobity     ?  False  
 360   360  tp        -59.4   -40.7  Favored  11   8  0.40  11  0.35  molprobity     1  True   
 361   361  t         -61.8   -51.3  Favored   9   7  0.36  10  0.31  molprobity     1  True   
 362   362  m         -56.6   -37.5  Favored   7   7  0.48  10  0.54  molprobity     1  True   
 363   363  ttpt      -65.3   -43.6  Favored  13   9  0.34  11  0.22  molprobity     1  True   
 364   364  mt        -59.4   -44.8  Favored  11   8  0.35  11  0.33  molprobity     1  True   
 365   365  mt        -56.7   -45.6  Favored  11   8  0.35  11  0.47  molprobity     1  True   
 366   366  m         -67.0   -29.3  Favored   5   6  0.44   8  0.18  molprobity     1  True   
 367   367  mt        -63.9   -44.0  Favored  11   8  0.34  11  0.41  molprobity     1  True   
 368   368  t         -57.3   -47.1  Favored   9   7  0.37  10  0.41  molprobity     1  True   
 369   369  tt0       -61.3   -46.6  Favored   8   9  0.34  12  0.29  molprobity     1  True   
 370   370  tp10      -56.3   -46.8  Favored   6   9  0.35  12  0.39  molprobity     1  True   
 371   371  mmt180    -61.3   -36.7  Favored  13  11  1.18  14  0.58  molprobity     1  True   
 372   372  mt-30     -75.8   -21.6  Favored   8   9  0.39  12  0.24  molprobity     1  True   
 373   373  m-20      -70.5   -36.1  Favored   6   8  0.37  11  0.37  molprobity     1  True   
 374   374  mtp       -67.7   -50.4  Favored   9   8  0.38  10  0.37  molprobity     1  True   
 375   375  m-20     -122.5   116.7  Favored   4   8  0.27  11  0.48  molprobity     1  True   
 376   376  m-20      -40.3   -53.3  Favored   4   8  0.44  11  0.54  molprobity     1  True   
 377   377  ?        -121.9    54.0  Allowed   3   4  0.34   5  0.09  molprobity     1  True   
 378   378  ?        -101.8   110.3  Favored   5   5  0.32   8  0.52  molprobity     1  True   
 379   379  Cg_endo   -69.9   122.3  Favored   7   8  0.36  11  0.24  molprobity     1  True   
 380   380  t         -79.4   141.5  Favored   9   7  0.27  10  0.44  molprobity     1  True   
 381   381  OUTLIER   -97.6   151.1  Favored  13   9  0.36  11  0.44  molprobity     1  True   
 382   382  m         -53.0   -37.3  Favored   7   7  0.48  10  0.48  molprobity     1  True   
 383   383  mtm180    -64.2   -44.4  Favored  13  11  1.17  14  0.41  molprobity     1  True   
 384   384  m-20      -62.0   -41.3  Favored   4   8  0.37  11  0.36  molprobity     1  True   
 385   385  mt        -65.8   -43.4  Favored  11   8  0.26  11  0.37  molprobity     1  True   
 386   386  ?         -60.6   -37.5  Favored   5   5  0.40   7  0.43  molprobity     1  True   
 387   387  t70       -61.4   -48.3  Favored   4   8  0.32  11  0.38  molprobity     1  True   
 388   388  ?         -69.2   -50.3  Favored   5   5  0.35   7  0.26  molprobity     1  True   
 389   389  ?         -73.0   -19.6  Favored   5   5  0.41   7  0.39  molprobity     1  True   
 390   390  ?          73.2    40.0  Favored   3   4  0.41   5  0.27  molprobity     1  True   
 391   391  mt       -122.4   175.3  Favored  11   8  0.41  11  0.18  molprobity     1  True   
 392   392  t         -85.1   153.8  Favored   5   6  0.48   8  0.26  molprobity     1  True   
 393   393  mm        -53.6   -50.1  Favored  11   8  0.35  11  0.48  molprobity     1  True   
 394   394  t80       -66.6   -44.7  Favored   9  13  0.37  18  0.35  molprobity     1  True   
 395   395  tt0       -51.1   -55.4  Favored   8   9  0.41  12  0.34  molprobity     1  True   
 396   396  t         -61.1   -39.9  Favored   9   7  0.27  10  0.40  molprobity     1  True   
 397   397  tpt180    -53.5   -41.4  Favored  13  11  1.21  14  0.79  molprobity     1  True   
 398   398  mt        -62.9   -52.9  Favored  11   8  0.33  11  0.18  molprobity     1  True   
 399   399  m-85      -56.0   -36.9  Favored   9  13  0.39  18  0.24  molprobity     1  True   
 400   400  mt        -69.8   -40.1  Favored  11   8  0.30  11  0.22  molprobity     1  True   
 401   401  mm-40     -60.7   -37.9  Favored   6   9  0.41  12  0.38  molprobity     1  True   
 402   402  mt-30     -61.4   -54.0  Favored   8   9  0.33  12  0.20  molprobity     1  True   
 403   403  mt        -57.1   -31.5  Favored  11   8  0.47  11  0.29  molprobity     1  True   
 404   404  t-80      -63.7   -50.8  Favored   7  11  0.34  15  0.35  molprobity     1  True   
 405   405  m-20      -76.8   -40.6  Favored   4   8  0.35  11  0.43  molprobity     1  True   
 406   406  m         -67.6   -16.1  Favored   9   7  0.40  10  0.46  molprobity     1  True   
 407   407  ?          95.6    48.3  Favored   3   4  0.47   5  0.21  molprobity     1  True   
 408   408  t        -118.7   -40.9  Favored   9   7  0.40  10  0.42  molprobity     1  True   
 409   409  mt       -112.8   136.4  Favored  11   8  0.42  11  0.38  molprobity     1  True   
 410   410  tp10      -91.7   143.2  Favored   6   9  0.42  12  0.41  molprobity     1  True   
 411   411  OUTLIER   -93.9   105.1  Favored  13   9  0.55  11  0.64  molprobity     1  True   
 412   412  t         -82.8    75.7  Allowed   9   7  0.33  10  0.52  molprobity     1  True   
 413   413  t30       177.5   -80.2  OUTLIER   6   8  0.52  11  0.24  molprobity     ?  False  
 414   414  ?        -174.1   126.4  Allowed   5   5  0.47   7  0.35  molprobity     ?  False  
 415   415  ?          54.5  -106.2  Allowed   3   4  0.71   5  0.45  molprobity     ?  False  
 416   416  OUTLIER  -161.7   163.7  Favored  13   9  0.46  11  0.37  molprobity     ?  False  
 417   417  ?          75.8   -55.6  Favored   3   4  0.60   5  0.27  molprobity     ?  False  
 418   418  m         -56.0   150.8  Favored   9   7  0.49  11  0.60  molprobity     ?  False  
 419   419  Cg_exo    -55.3    99.8  OUTLIER   7   8  0.31  11  0.33  molprobity     ?  False  
 420   420  ?        -125.8   151.1  Favored   3   4  0.23   5  0.15  molprobity     ?  False  
 421   421  mt        -83.3   140.5  Favored  11   8  0.39  11  0.24  molprobity     1  True   
 422   422  m95       -93.9   116.4  Favored  10  16  0.23  23  0.33  molprobity     1  True   
 423   423  tpt180   -114.7   111.5  Favored  13  11  1.26  14  0.67  molprobity     1  True   
 424   424  pp        -59.3   156.0  Favored  11   8  0.53  11  0.36  molprobity     1  True   
 425   425  mt        -67.9   101.8  Allowed  11   8  0.39  11  0.29  molprobity     1  True   
 426   426  pt-20         ?       ?  ?         6   8  0.66   9  0.46  molprobity     ?  False  
 427   427  OUTLIER       ?       ?  ?        11   8  0.64  10  0.38  molprobity     ?  False  
 428   428  m         -76.4    79.9  Favored   5   6  0.44   8  0.36  molprobity     ?  False  
 429   429  mt-10     -86.7    44.3  Allowed   6   9  0.39  12  0.49  molprobity     ?  False  
 430   430  p          49.6    31.6  Favored   5   6  0.68   8  0.38  molprobity     ?  False  
 431   431  mp        -58.6   -47.9  Favored  11   8  0.46  11  0.66  molprobity     1  True   
 432   432  t         -64.2   -47.1  Favored   9   7  0.35  10  0.34  molprobity     1  True   
 433   433  m         -52.2   -46.1  Favored   7   7  0.57  10  0.63  molprobity     1  True   
 434   434  tppt?     -55.4   -55.1  Favored  13   9  0.33  11  0.24  molprobity     1  True   
 435   435  mt        -60.4   -46.0  Favored  11   8  0.29  11  0.33  molprobity     1  True   
 436   436  mt        -58.5   -50.9  Favored  11   8  0.35  11  0.44  molprobity     1  True   
 437   437  p         -55.9   -43.6  Favored   5   6  0.50   8  0.20  molprobity     1  True   
 438   438  mt        -61.7   -55.9  Favored  11   8  0.32  11  0.44  molprobity     1  True   
 439   439  t         -55.1   -41.8  Favored   9   7  0.38  10  0.44  molprobity     1  True   
 440   440  tt0       -65.5   -53.2  Favored   8   9  0.35  12  0.29  molprobity     1  True   
 441   441  tt0       -51.6   -49.5  Favored   6   9  0.40  12  0.43  molprobity     1  True   
 442   442  mmm180    -54.3   -51.1  Favored  13  11  1.24  14  0.68  molprobity     1  True   
 443   443  mt-30     -66.3   -16.4  Favored   8   9  0.43  12  0.28  molprobity     1  True   
 444   444  m-80      -78.8   -29.6  Favored   6   8  0.37  11  0.25  molprobity     1  True   
 445   445  mmt       -91.5   -74.2  Allowed   9   8  0.35  10  0.23  molprobity     1  True   
 446   446  OUTLIER   -87.3    77.8  Favored   4   8  0.32  11  0.62  molprobity     1  True   
 447   447  t70       -85.9   -28.1  Favored   4   8  0.27  11  0.50  molprobity     1  True   
 448   448  ?         -77.4    -3.4  Favored   3   4  0.43   5  0.14  molprobity     1  True   
 449   449  ?        -150.9   119.9  Favored   5   5  0.48   8  0.53  molprobity     1  True   
 450   450  Cg_endo   -52.6   152.9  Favored   7   8  0.51  11  0.33  molprobity     1  True   
 451   451  t         -80.0   150.4  Favored   9   7  0.39  10  0.44  molprobity     1  True   
 452   452  mptt      -96.7   151.4  Favored  13   9  0.40  11  0.37  molprobity     1  True   
 453   453  m         -56.0   -36.6  Favored   7   7  0.55  10  0.60  molprobity     1  True   
 454   454  mtm-85    -57.1   -58.3  Favored  13  11  1.28  14  0.67  molprobity     1  True   
 455   455  m-20      -53.9   -44.2  Favored   4   8  0.29  11  0.52  molprobity     1  True   
 456   456  mt        -63.7   -46.3  Favored  11   8  0.31  11  0.41  molprobity     1  True   
 457   457  ?         -62.7   -43.9  Favored   5   5  0.34   7  0.30  molprobity     1  True   
 458   458  t70       -62.4   -47.3  Favored   4   8  0.25  11  0.35  molprobity     1  True   
 459   459  ?         -67.7   -29.6  Favored   5   5  0.40   7  0.22  molprobity     1  True   
 460   460  ?         -88.1   -15.4  Favored   5   5  0.42   7  0.26  molprobity     1  True   
 461   461  ?          71.1    27.4  Favored   3   4  0.43   5  0.18  molprobity     1  True   
 462   462  mt       -117.9   175.3  Favored  11   8  0.41  11  0.27  molprobity     1  True   
 463   463  t         -80.2   149.3  Favored   5   6  0.40   8  0.42  molprobity     1  True   
 464   464  mm        -51.9   -40.5  Favored  11   8  0.35  11  0.48  molprobity     1  True   
 465   465  t80       -64.8   -56.6  Favored   9  13  0.34  18  0.26  molprobity     1  True   
 466   466  tp-100    -58.0   -51.1  Favored   8   9  0.42  12  0.30  molprobity     1  True   
 467   467  t         -55.9   -47.9  Favored   9   7  0.26  10  0.38  molprobity     1  True   
 468   468  ttp85     -57.4   -38.3  Favored  13  11  1.14  14  0.45  molprobity     1  True   
 469   469  mt        -58.4   -46.5  Favored  11   8  0.40  11  0.22  molprobity     1  True   
 470   470  m-85      -66.0   -44.2  Favored   9  13  0.34  18  0.23  molprobity     1  True   
 471   471  mt        -60.7   -48.4  Favored  11   8  0.38  11  0.23  molprobity     1  True   
 472   472  mt-10     -66.2   -41.3  Favored   6   9  0.43  12  0.29  molprobity     1  True   
 473   473  mt-30     -61.7   -41.5  Favored   8   9  0.36  12  0.17  molprobity     1  True   
 474   474  mt        -60.0   -33.4  Favored  11   8  0.38  11  0.19  molprobity     1  True   
 475   475  t60       -66.2   -49.8  Favored   7  11  0.23  15  0.19  molprobity     1  True   
 476   476  t70       -60.6   -32.1  Favored   4   8  0.34  11  0.39  molprobity     1  True   
 477   477  m         -91.0     2.7  Favored   9   7  0.48  10  0.51  molprobity     1  True   
 478   478  ?          86.0    51.9  Favored   3   4  0.58   5  0.24  molprobity     1  True   
 479   479  t        -129.7   -58.5  Allowed   9   7  0.44  10  0.43  molprobity     1  True   
 480   480  mt       -104.4   178.4  Favored  11   8  0.45  11  0.26  molprobity     1  True   
 481   481  tp10     -138.0   144.8  Favored   6   9  0.44  12  0.41  molprobity     1  True   
 482   482  mmmm      -89.8   129.2  Favored  13   9  0.47  11  0.53  molprobity     1  True   
 483   483  t        -120.4   116.3  Favored   9   7  0.26  10  0.47  molprobity     1  True   
 484   484  m-20       77.0   131.3  Allowed   6   8  0.48  11  0.43  molprobity     ?  False  
 485   485  ?         -67.2   -81.0  OUTLIER   5   5  0.45   7  0.49  molprobity     ?  False  
 486   486  ?         175.5   -18.6  OUTLIER   3   4  0.58   5  0.19  molprobity     ?  False  
 487   487  tttt      -74.5   100.1  Favored  13   9  0.37  11  0.27  molprobity     ?  False  
 488   488  ?          77.4   -42.0  Allowed   3   4  0.66   5  0.25  molprobity     ?  False  
 489   489  m         -60.5   136.9  Favored   9   7  0.51  11  0.53  molprobity     ?  False  
 490   490  Cg_endo   -65.5   -31.5  Favored   7   8  0.40  11  0.32  molprobity     ?  False  
 491   491  ?         103.6   114.0  Favored   3   4  0.45   5  0.27  molprobity     ?  False  
 492   492  mt       -109.4   137.1  Favored  11   8  0.38  11  0.23  molprobity     1  True   
 493   493  m95      -123.4   143.2  Favored  10  16  0.23  23  0.36  molprobity     1  True   
 494   494  ptm180   -147.7   174.4  Favored  13  11  1.20  14  0.47  molprobity     1  True   
 495   495  pp       -125.2   177.6  Favored  11   8  0.47  11  0.36  molprobity     1  True   
 496   496  pt?      -142.2    79.2  Allowed  11   8  0.48  11  0.43  molprobity     1  True   
 497   497  tt0           ?       ?  ?         6   8  0.66   9  0.36  molprobity     ?  False  
 498   498  mpp?          ?       ?  ?        11   8  0.59  10  0.29  molprobity     ?  False  
 499   499  m         -99.8   -68.3  Allowed   5   6  0.42   8  0.25  molprobity     ?  False  
 500   500  tm-20     -89.0   138.6  Favored   6   9  0.45  12  0.45  molprobity     ?  False  
 501   501  m        -117.5   -36.0  Favored   5   6  0.64   8  0.39  molprobity     ?  False  
 502   502  mp        -70.9   -58.2  Favored  11   8  0.52  11  0.48  molprobity     1  True   
 503   503  t         -63.9   -35.1  Favored   9   7  0.36  10  0.39  molprobity     1  True   
 504   504  m         -61.3   -38.1  Favored   7   7  0.47  10  0.52  molprobity     1  True   
 505   505  tttt      -63.4   -42.5  Favored  13   9  0.30  11  0.20  molprobity     1  True   
 506   506  mt        -52.2   -45.1  Favored  11   8  0.31  11  0.39  molprobity     1  True   
 507   507  mt        -58.5   -44.4  Favored  11   8  0.36  11  0.38  molprobity     1  True   
 508   508  m         -59.6   -42.2  Favored   5   6  0.45   8  0.23  molprobity     1  True   
 509   509  mt        -59.6   -46.0  Favored  11   8  0.37  11  0.41  molprobity     1  True   
 510   510  t         -60.5   -49.6  Favored   9   7  0.38  10  0.41  molprobity     1  True   
 511   511  tm0?      -58.6   -41.6  Favored   8   9  0.46  12  0.59  molprobity     1  True   
 512   512  tt0       -60.0   -51.0  Favored   6   9  0.32  12  0.45  molprobity     1  True   
 513   513  mmt180    -59.1   -35.4  Favored  13  11  1.26  14  0.27  molprobity     1  True   
 514   514  mt-30     -67.0   -27.3  Favored   8   9  0.36  12  0.23  molprobity     1  True   
 515   515  OUTLIER   -76.2   -23.1  Favored   6   8  0.36  11  0.27  molprobity     1  True   
 516   516  mmt       -75.2   -55.0  Favored   9   8  0.32  10  0.30  molprobity     1  True   
 517   517  m-20     -120.0    99.0  Favored   4   8  0.27  11  0.32  molprobity     1  True   
 518   518  p-10      -61.8   -15.9  Favored   4   8  0.41  11  0.50  molprobity     1  True   
 519   519  ?        -117.3    31.9  Favored   3   4  0.41   5  0.11  molprobity     1  True   
 520   520  ?        -140.4   137.0  Favored   5   5  0.43   8  0.55  molprobity     1  True   
 521   521  Cg_endo   -83.3   159.6  Favored   7   8  0.35  11  0.21  molprobity     1  True   
 522   522  t         -85.9   156.2  Favored   9   7  0.32  10  0.42  molprobity     1  True   
 523   523  OUTLIER  -100.0   140.2  Favored  13   9  0.41  11  0.46  molprobity     1  True   
 524   524  m         -55.6   -41.1  Favored   7   7  0.51  10  0.54  molprobity     1  True   
 525   525  mmm180    -61.4   -52.7  Favored  13  11  1.18  14  0.42  molprobity     1  True   
 526   526  OUTLIER   -60.1   -35.7  Favored   4   8  0.34  11  0.49  molprobity     1  True   
 527   527  mt        -67.0   -56.3  Favored  11   8  0.31  11  0.45  molprobity     1  True   
 528   528  ?         -56.5   -43.4  Favored   5   5  0.35   7  0.34  molprobity     1  True   
 529   529  t70       -63.5   -53.0  Favored   4   8  0.28  11  0.34  molprobity     1  True   
 530   530  ?         -64.1   -29.5  Favored   5   5  0.40   7  0.22  molprobity     1  True   
 531   531  ?         -78.8   -27.1  Favored   5   5  0.39   7  0.33  molprobity     1  True   
 532   532  ?          78.0    46.0  Favored   3   4  0.37   5  0.22  molprobity     1  True   
 533   533  mt       -135.5   178.2  Favored  11   8  0.45  11  0.15  molprobity     1  True   
 534   534  m         -82.2   142.9  Favored   5   6  0.45   8  0.21  molprobity     1  True   
 535   535  mm        -51.7   -55.7  Favored  11   8  0.35  11  0.43  molprobity     1  True   
 536   536  t80       -54.2   -48.2  Favored   9  13  0.43  18  0.31  molprobity     1  True   
 537   537  tt0       -58.1   -45.9  Favored   8   9  0.38  12  0.33  molprobity     1  True   
 538   538  t         -66.7   -39.3  Favored   9   7  0.25  10  0.35  molprobity     1  True   
 539   539  mtp180    -53.4   -44.5  Favored  13  11  1.26  14  0.50  molprobity     1  True   
 540   540  mt        -59.6   -49.5  Favored  11   8  0.34  11  0.17  molprobity     1  True   
 541   541  m-30      -58.9   -43.9  Favored   9  13  0.43  18  0.35  molprobity     1  True   
 542   542  mt        -63.5   -45.5  Favored  11   8  0.36  11  0.20  molprobity     1  True   
 543   543  mt-10     -61.3   -39.7  Favored   6   9  0.44  12  0.28  molprobity     1  True   
 544   544  mt-30     -58.5   -44.2  Favored   8   9  0.36  12  0.35  molprobity     1  True   
 545   545  mt        -61.9   -31.2  Favored  11   8  0.41  11  0.22  molprobity     1  True   
 546   546  t60       -74.0   -36.7  Favored   7  11  0.34  15  0.27  molprobity     1  True   
 547   547  t70       -64.3   -50.5  Favored   4   8  0.31  11  0.39  molprobity     1  True   
 548   548  m         -75.6     4.1  Allowed   9   7  0.48  10  0.47  molprobity     1  True   
 549   549  ?          81.7    29.5  Favored   3   4  0.56   5  0.37  molprobity     1  True   
 550   550  t         -96.5   -60.1  Favored   9   7  0.34  10  0.48  molprobity     1  True   
 551   551  mt        -99.3   145.5  Favored  11   8  0.42  11  0.34  molprobity     1  True   
 552   552  tp10      -92.4   142.6  Favored   6   9  0.38  12  0.41  molprobity     1  True   
 553   553  tttp      -87.8   107.1  Favored  13   9  0.40  11  0.41  molprobity     1  True   
 554   554  t        -109.0   104.9  Favored   9   7  0.39  10  0.44  molprobity     1  True   
 555   555  t-20     -119.0   114.2  Favored   6   8  0.41  11  0.21  molprobity     ?  False  
 556   556  ?         -83.0    -0.7  Favored   5   5  0.41   7  0.38  molprobity     ?  False  
 557   557  ?         139.0  -158.5  Favored   3   4  0.37   5  0.10  molprobity     ?  False  
 558   558  mtmm      -81.8   159.9  Favored  13   9  0.37  11  0.34  molprobity     ?  False  
 559   559  ?          84.1   -54.8  Favored   3   4  0.44   5  0.24  molprobity     ?  False  
 560   560  m         -79.4   133.7  Favored   9   7  0.39  11  0.50  molprobity     ?  False  
 561   561  Cg_endo   -74.9  -174.1  Allowed   7   8  0.40  11  0.32  molprobity     ?  False  
 562   562  ?         -78.1    99.0  Allowed   3   4  0.41   5  0.18  molprobity     ?  False  
 563   563  mt        -73.8   141.9  Favored  11   8  0.39  11  0.30  molprobity     1  True   
 564   564  m95      -108.0   117.5  Favored  10  16  0.23  23  0.31  molprobity     1  True   
 565   565  ttt180   -120.6   178.7  Favored  13  11  1.21  14  0.85  molprobity     1  True   
 566   566  pp       -101.5   161.0  Favored  11   8  0.55  11  0.40  molprobity     1  True   
 567   567  mt        -69.1    93.2  Allowed  11   8  0.34  11  0.27  molprobity     1  True   
 568   568  tt0           ?       ?  ?         6   8  0.60   9  0.51  molprobity     ?  False  
 569   569  ttt           ?       ?  ?        11   8  0.59  10  0.29  molprobity     ?  False  
 570   570  t         -68.2   101.4  Allowed   5   6  0.46   8  0.21  molprobity     ?  False  
 571   571  tp10     -134.1   130.9  Favored   6   9  0.46  12  0.44  molprobity     ?  False  
 572   572  m         -63.1   -35.4  Favored   5   6  0.44   8  0.15  molprobity     ?  False  
 573   573  mm        -59.5   -48.1  Favored  11   8  0.34  11  0.40  molprobity     1  True   
 574   574  t         -61.5   -48.1  Favored   9   7  0.32  10  0.42  molprobity     1  True   
 575   575  m         -58.1   -39.6  Favored   7   7  0.49  10  0.47  molprobity     1  True   
 576   576  tptt      -57.6   -54.0  Favored  13   9  0.34  11  0.33  molprobity     1  True   
 577   577  mt        -57.8   -48.6  Favored  11   8  0.31  11  0.34  molprobity     1  True   
 578   578  mt        -59.3   -44.3  Favored  11   8  0.37  11  0.41  molprobity     1  True   
 579   579  t         -63.0   -32.5  Favored   5   6  0.46   8  0.22  molprobity     1  True   
 580   580  mt        -71.3   -49.0  Favored  11   8  0.31  11  0.38  molprobity     1  True   
 581   581  t         -56.5   -44.1  Favored   9   7  0.34  10  0.43  molprobity     1  True   
 582   582  tt0       -65.6   -40.0  Favored   8   9  0.31  12  0.23  molprobity     1  True   
 583   583  tp10      -55.6   -47.9  Favored   6   9  0.38  12  0.39  molprobity     1  True   
 584   584  OUTLIER   -64.5   -34.4  Favored  13  11  1.19  14  0.31  molprobity     1  True   
 585   585  mm-40     -65.1   -40.0  Favored   8   9  0.44  12  0.33  molprobity     1  True   
 586   586  m-20      -76.0   -21.9  Favored   6   8  0.42  11  0.29  molprobity     1  True   
 587   587  ptm       -83.8   -32.3  Favored   9   8  0.34  10  0.30  molprobity     1  True   
 588   588  t70      -152.2   115.3  Favored   4   8  0.29  11  0.40  molprobity     1  True   
 589   589  m-20      -69.4   -13.4  Favored   4   8  0.32  11  0.53  molprobity     1  True   
 590   590  ?        -118.0    15.2  Favored   3   4  0.47   5  0.11  molprobity     1  True   
 591   591  ?        -107.7   113.6  Favored   5   5  0.42   8  0.54  molprobity     1  True   
 592   592  Cg_endo   -72.8   140.8  Favored   7   8  0.36  11  0.23  molprobity     1  True   
 593   593  t         -79.1   154.6  Favored   9   7  0.33  10  0.39  molprobity     1  True   
 594   594  mptp?    -107.6   139.0  Favored  13   9  0.39  11  0.29  molprobity     1  True   
 595   595  m         -53.5   -51.1  Favored   7   7  0.56  10  0.53  molprobity     1  True   
 596   596  mtt180    -64.8   -31.3  Favored  13  11  1.20  14  0.53  molprobity     1  True   
 597   597  t70       -63.5   -52.7  Favored   4   8  0.25  11  0.34  molprobity     1  True   
 598   598  mt        -55.9   -43.1  Favored  11   8  0.29  11  0.49  molprobity     1  True   
 599   599  ?         -58.8   -35.7  Favored   5   5  0.33   7  0.23  molprobity     1  True   
 600   600  t70       -74.1   -48.5  Favored   4   8  0.27  11  0.36  molprobity     1  True   
 601   601  ?         -64.1   -28.7  Favored   5   5  0.40   7  0.22  molprobity     1  True   
 602   602  ?         -94.2   -26.4  Favored   5   5  0.40   7  0.36  molprobity     1  True   
 603   603  ?          80.2    31.5  Favored   3   4  0.50   5  0.25  molprobity     1  True   
 604   604  mt       -115.3   169.3  Favored  11   8  0.44  11  0.19  molprobity     1  True   
 605   605  t         -87.7   151.5  Favored   5   6  0.37   8  0.31  molprobity     1  True   
 606   606  mm        -58.1   -48.9  Favored  11   8  0.35  11  0.49  molprobity     1  True   
 607   607  p90       -56.7   -38.7  Favored   9  13  0.39  18  0.29  molprobity     1  True   
 608   608  tt0       -75.8   -47.2  Favored   8   9  0.37  12  0.29  molprobity     1  True   
 609   609  t         -55.2   -48.3  Favored   9   7  0.34  10  0.38  molprobity     1  True   
 610   610  ptm180    -65.6   -29.7  Favored  13  11  1.21  14  0.47  molprobity     1  True   
 611   611  mt        -59.0   -49.3  Favored  11   8  0.40  11  0.21  molprobity     1  True   
 612   612  m-85      -61.3   -53.3  Favored   9  13  0.35  18  0.24  molprobity     1  True   
 613   613  mt        -55.4   -49.7  Favored  11   8  0.47  11  0.38  molprobity     1  True   
 614   614  tt0       -64.8   -41.7  Favored   6   9  0.30  12  0.44  molprobity     1  True   
 615   615  mm-40     -68.8   -41.1  Favored   8   9  0.38  12  0.24  molprobity     1  True   
 616   616  mt        -59.7   -31.6  Favored  11   8  0.40  11  0.20  molprobity     1  True   
 617   617  t-80      -66.4   -48.6  Favored   7  11  0.28  15  0.31  molprobity     1  True   
 618   618  t70       -60.0   -33.6  Favored   4   8  0.30  11  0.37  molprobity     1  True   
 619   619  m         -89.4     1.5  Favored   9   7  0.49  10  0.53  molprobity     1  True   
 620   620  ?          88.4    19.5  Favored   3   4  0.76   5  0.35  molprobity     1  True   
 621   621  t         -88.5   -48.2  Favored   9   7  0.43  10  0.41  molprobity     1  True   
 622   622  mt       -114.8   152.4  Favored  11   8  0.38  11  0.27  molprobity     1  True   
 623   623  tp10     -109.3   150.0  Favored   6   9  0.37  12  0.30  molprobity     1  True   
 624   624  OUTLIER   -98.9   137.8  Favored  13   9  0.46  11  0.44  molprobity     1  True   
 625   625  t        -121.2   132.8  Favored   9   7  0.34  10  0.42  molprobity     1  True   
 626   626  t-20     -153.2   101.0  Favored   6   8  0.42  11  0.28  molprobity     ?  False  
 627   627  ?         -58.7   -28.9  Favored   5   5  0.38   7  0.51  molprobity     ?  False  
 628   628  ?         179.9   165.1  Favored   3   4  0.37   5  0.18  molprobity     ?  False  
 629   629  mmtt      -61.4    97.3  Allowed  13   9  0.36  11  0.22  molprobity     ?  False  
 630   630  ?         144.1   -31.2  Allowed   3   4  0.44   5  0.11  molprobity     ?  False  
 631   631  m         -80.7   156.4  Favored   9   7  0.47  11  0.51  molprobity     ?  False  
 632   632  Cg_endo   -67.4   167.0  Favored   7   8  0.43  11  0.35  molprobity     ?  False  
 633   633  ?         -79.9    97.3  Allowed   3   4  0.38   5  0.20  molprobity     ?  False  
 634   634  mt        -88.6   164.2  Favored  11   8  0.38  11  0.21  molprobity     1  True   
 635   635  m95      -131.4   154.0  Favored  10  16  0.25  23  0.20  molprobity     1  True   
 636   636  ttt85    -165.3   117.5  Allowed  13  11  1.17  14  0.49  molprobity     1  True   
 637   637  pp        -64.2   155.3  Favored  11   8  0.52  11  0.36  molprobity     1  True   
 638   638  pt?      -123.1    13.6  Favored  11   8  0.50  11  0.33  molprobity     1  True   
 639   639  tt0           ?       ?  ?         6   8  0.58   9  0.44  molprobity     ?  False  
 640   640  OUTLIER       ?       ?  ?        11   8  0.60  10  0.29  molprobity     ?  False  
 641   641  p        -161.3   167.1  Favored   5   6  0.46   8  0.22  molprobity     ?  False  
 642   642  tp10      -68.5   101.1  Allowed   6   9  0.34  12  0.44  molprobity     ?  False  
 643   643  t         -81.0    24.8  Allowed   5   6  0.55   8  0.31  molprobity     ?  False  
 644   644  tp        -55.8   -36.2  Favored  11   8  0.35  11  0.39  molprobity     1  True   
 645   645  t         -58.5   -50.3  Favored   9   7  0.37  10  0.38  molprobity     1  True   
 646   646  m         -60.9   -40.0  Favored   7   7  0.48  10  0.48  molprobity     1  True   
 647   647  ttmp?     -58.9   -48.8  Favored  13   9  0.37  11  0.29  molprobity     1  True   
 648   648  mt        -56.5   -48.1  Favored  11   8  0.35  11  0.35  molprobity     1  True   
 649   649  mt        -59.1   -43.3  Favored  11   8  0.36  11  0.46  molprobity     1  True   
 650   650  t         -60.5   -40.0  Favored   5   6  0.49   8  0.26  molprobity     1  True   
 651   651  mt        -61.1   -51.1  Favored  11   8  0.35  11  0.45  molprobity     1  True   
 652   652  t         -58.0   -51.0  Favored   9   7  0.34  10  0.42  molprobity     1  True   
 653   653  tt0       -54.1   -47.4  Favored   8   9  0.38  12  0.34  molprobity     1  True   
 654   654  tt0       -57.5   -53.5  Favored   6   9  0.38  12  0.35  molprobity     1  True   
 655   655  mmt180    -62.7   -27.2  Favored  13  11  1.19  14  0.62  molprobity     1  True   
 656   656  mt-30     -80.2   -26.8  Favored   8   9  0.35  12  0.37  molprobity     1  True   
 657   657  m-20      -64.6   -26.1  Favored   6   8  0.39  11  0.34  molprobity     1  True   
 658   658  mmm       -78.4   -60.2  Favored   9   8  0.35  10  0.38  molprobity     1  True   
 659   659  m-20      -94.1   -55.9  Favored   4   8  0.39  11  0.48  molprobity     1  True   
 660   660  t70        68.5   -69.1  Allowed   4   8  0.46  11  0.46  molprobity     1  True   
 661   661  ?         -59.4   -35.3  Favored   3   4  0.47   5  0.21  molprobity     1  True   
 662   662  ?         -96.4   129.4  Favored   5   5  0.44   8  0.51  molprobity     1  True   
 663   663  Cg_endo   -68.0   164.1  Favored   7   8  0.37  11  0.28  molprobity     1  True   
 664   664  t         -84.8   145.6  Favored   9   7  0.30  10  0.34  molprobity     1  True   
 665   665  mptt      -90.1   141.2  Favored  13   9  0.36  11  0.34  molprobity     1  True   
 666   666  m         -52.0   -38.3  Favored   7   7  0.55  10  0.44  molprobity     1  True   
 667   667  mpt_?     -63.4   -47.6  Favored  13  11  1.22  14  0.55  molprobity     1  True   
 668   668  OUTLIER   -52.2   -52.5  Favored   4   8  0.31  11  0.41  molprobity     1  True   
 669   669  mt        -58.4   -53.9  Favored  11   8  0.30  11  0.45  molprobity     1  True   
 670   670  ?         -60.9   -45.4  Favored   5   5  0.36   7  0.33  molprobity     1  True   
 671   671  t70       -64.2   -40.4  Favored   4   8  0.29  11  0.34  molprobity     1  True   
 672   672  ?         -72.0   -38.3  Favored   5   5  0.38   7  0.25  molprobity     1  True   
 673   673  ?         -70.8   -35.3  Favored   5   5  0.38   7  0.26  molprobity     1  True   
 674   674  ?          87.0    23.2  Favored   3   4  0.52   5  0.12  molprobity     1  True   
 675   675  mt       -113.2   171.7  Favored  11   8  0.40  11  0.29  molprobity     1  True   
 676   676  m         -71.7   144.4  Favored   5   6  0.44   8  0.25  molprobity     1  True   
 677   677  mm        -50.9   -58.2  Favored  11   8  0.37  11  0.45  molprobity     1  True   
 678   678  p90       -54.0   -40.7  Favored   9  13  0.44  18  0.25  molprobity     1  True   
 679   679  tp60      -65.4   -47.3  Favored   8   9  0.41  12  0.30  molprobity     1  True   
 680   680  t         -58.7   -44.3  Favored   9   7  0.26  10  0.38  molprobity     1  True   
 681   681  mtp180    -58.5   -33.7  Favored  13  11  1.18  14  0.80  molprobity     1  True   
 682   682  mt        -60.1   -52.6  Favored  11   8  0.37  11  0.18  molprobity     1  True   
 683   683  m-85      -56.8   -46.0  Favored   9  13  0.40  18  0.32  molprobity     1  True   
 684   684  mt        -59.9   -46.6  Favored  11   8  0.39  11  0.22  molprobity     1  True   
 685   685  tt0       -67.3   -37.2  Favored   6   9  0.36  12  0.27  molprobity     1  True   
 686   686  mt-30     -59.7   -45.2  Favored   8   9  0.40  12  0.28  molprobity     1  True   
 687   687  mt        -61.4   -34.1  Favored  11   8  0.38  11  0.19  molprobity     1  True   
 688   688  t-80      -70.6   -28.7  Favored   7  11  0.32  15  0.30  molprobity     1  True   
 689   689  t70       -79.7   -41.7  Favored   4   8  0.28  11  0.40  molprobity     1  True   
 690   690  m         -77.8   -24.7  Favored   9   7  0.42  10  0.47  molprobity     1  True   
 691   691  ?         109.6    69.0  Allowed   3   4  0.49   5  0.29  molprobity     1  True   
 692   692  t        -141.4   -60.9  Allowed   9   7  0.46  10  0.51  molprobity     1  True   
 693   693  mt       -104.0   145.8  Favored  11   8  0.35  11  0.42  molprobity     1  True   
 694   694  tp10     -108.5   141.1  Favored   6   9  0.45  12  0.39  molprobity     1  True   
 695   695  ptmm?     -90.0    94.9  Favored  13   9  0.40  11  0.25  molprobity     1  True   
 696   696  t         -77.7    85.9  Allowed   9   7  0.40  10  0.57  molprobity     1  True   
 697   697  t30       162.4  -177.9  OUTLIER   6   8  0.54  11  0.34  molprobity     ?  False  
 698   698  ?         -67.8  -172.0  Allowed   5   5  0.39   7  0.63  molprobity     ?  False  
 699   699  ?        -147.1  -158.5  Favored   3   4  0.39   5  0.50  molprobity     ?  False  
 700   700  ttmm       72.0     8.0  Favored  13   9  0.51  11  0.47  molprobity     ?  False  
 701   701  ?         155.6   -44.0  Allowed   3   4  0.60   5  0.24  molprobity     ?  False  
 702   702  m         -54.3   151.6  Favored   9   7  0.56  11  0.51  molprobity     ?  False  
 703   703  Cg_endo   -52.8   -69.3  OUTLIER   7   8  0.45  11  0.44  molprobity     ?  False  
 704   704  ?          84.9   151.6  Favored   3   4  0.42   5  0.33  molprobity     ?  False  
 705   705  mp       -110.1   133.6  Favored  11   8  0.38  11  0.22  molprobity     1  True   
 706   706  m95      -102.2   133.9  Favored  10  16  0.22  23  0.34  molprobity     1  True   
 707   707  ttt180   -141.3   114.5  Favored  13  11  1.21  14  0.60  molprobity     1  True   
 708   708  pp        -67.8   151.6  Favored  11   8  0.53  11  0.51  molprobity     1  True   
 709   709  pt?      -139.6   159.7  Favored  11   8  0.45  11  0.23  molprobity     1  True   
 710   710  OUTLIER       ?       ?  ?         6   8  0.59   9  0.50  molprobity     ?  False  
 711   711  mtp           ?       ?  ?        11   8  0.60  10  0.46  molprobity     ?  False  
 712   712  m         -81.2   -47.8  Favored   5   6  0.44   8  0.41  molprobity     ?  False  
 713   713  tt0        59.9    20.9  Favored   6   9  0.40  12  0.59  molprobity     ?  False  
 714   714  m          64.5    21.2  Favored   5   6  0.69   8  0.25  molprobity     ?  False  
 715   715  tp        -55.0   -27.1  Favored  11   8  0.45  11  0.40  molprobity     1  True   
 716   716  t         -53.3   -49.5  Favored   9   7  0.37  10  0.39  molprobity     1  True   
 717   717  m         -55.5   -46.2  Favored   7   7  0.50  10  0.54  molprobity     1  True   
 718   718  tptt      -56.0   -50.6  Favored  13   9  0.33  11  0.22  molprobity     1  True   
 719   719  mt        -57.2   -42.3  Favored  11   8  0.28  11  0.35  molprobity     1  True   
 720   720  mt        -61.6   -46.1  Favored  11   8  0.37  11  0.40  molprobity     1  True   
 721   721  m         -60.8   -32.7  Favored   5   6  0.50   8  0.18  molprobity     1  True   
 722   722  mt        -67.2   -41.3  Favored  11   8  0.26  11  0.42  molprobity     1  True   
 723   723  t         -60.0   -41.2  Favored   9   7  0.30  10  0.35  molprobity     1  True   
 724   724  tt0       -64.6   -48.1  Favored   8   9  0.34  12  0.39  molprobity     1  True   
 725   725  tp10      -53.1   -56.3  Favored   6   9  0.42  12  0.47  molprobity     1  True   
 726   726  mmt180    -67.5   -39.1  Favored  13  11  1.15  14  0.89  molprobity     1  True   
 727   727  pt20      -74.2   -20.3  Favored   8   9  0.40  12  0.33  molprobity     1  True   
 728   728  t30       -71.5   -24.5  Favored   6   8  0.38  11  0.44  molprobity     1  True   
 729   729  mmt       -79.6   -47.9  Favored   9   8  0.35  10  0.26  molprobity     1  True   
 730   730  m-20      -98.6    84.7  Favored   4   8  0.33  11  0.34  molprobity     1  True   
 731   731  t70       -57.0   -37.3  Favored   4   8  0.35  11  0.45  molprobity     1  True   
 732   732  ?        -108.1    20.1  Favored   3   4  0.48   5  0.16  molprobity     1  True   
 733   733  ?        -158.4   108.3  Allowed   5   5  0.41   8  0.55  molprobity     1  True   
 734   734  Cg_endo   -48.3   177.4  OUTLIER   7   8  0.60  11  0.53  molprobity     1  True   
 735   735  t         -79.6   152.9  Favored   9   7  0.29  10  0.64  molprobity     1  True   
 736   736  mptt     -105.9   146.1  Favored  13   9  0.41  11  0.30  molprobity     1  True   
 737   737  m         -53.7   -44.3  Favored   7   7  0.57  10  0.54  molprobity     1  True   
 738   738  mtm180    -59.5   -43.6  Favored  13  11  1.23  14  0.40  molprobity     1  True   
 739   739  m-20      -56.5   -39.6  Favored   4   8  0.28  11  0.36  molprobity     1  True   
 740   740  mt        -68.9   -44.5  Favored  11   8  0.29  11  0.36  molprobity     1  True   
 741   741  ?         -61.8   -35.3  Favored   5   5  0.39   7  0.40  molprobity     1  True   
 742   742  t70       -65.6   -55.6  Favored   4   8  0.31  11  0.41  molprobity     1  True   
 743   743  ?         -62.4   -38.0  Favored   5   5  0.38   7  0.30  molprobity     1  True   
 744   744  ?         -82.5   -28.9  Favored   5   5  0.38   7  0.33  molprobity     1  True   
 745   745  ?          78.6    39.0  Favored   3   4  0.47   5  0.22  molprobity     1  True   
 746   746  mt       -117.4   172.7  Favored  11   8  0.43  11  0.17  molprobity     1  True   
 747   747  m         -79.0   148.1  Favored   5   6  0.50   8  0.17  molprobity     1  True   
 748   748  mm        -52.7   -58.6  Favored  11   8  0.43  11  0.43  molprobity     1  True   
 749   749  t80       -57.0   -41.8  Favored   9  13  0.39  18  0.26  molprobity     1  True   
 750   750  tt0       -56.4   -49.6  Favored   8   9  0.36  12  0.46  molprobity     1  True   
 751   751  t         -65.1   -39.5  Favored   9   7  0.25  10  0.30  molprobity     1  True   
 752   752  mmm-85    -50.9   -48.2  Favored  13  11  1.17  14  0.53  molprobity     1  True   
 753   753  mt        -59.0   -51.6  Favored  11   8  0.34  11  0.19  molprobity     1  True   
 754   754  m-85      -60.2   -45.1  Favored   9  13  0.36  18  0.35  molprobity     1  True   
 755   755  mt        -64.6   -52.8  Favored  11   8  0.36  11  0.29  molprobity     1  True   
 756   756  mt-10     -66.3   -29.2  Favored   6   9  0.35  12  0.32  molprobity     1  True   
 757   757  mm-40     -74.6   -37.8  Favored   8   9  0.36  12  0.22  molprobity     1  True   
 758   758  mt        -64.4   -26.5  Favored  11   8  0.39  11  0.24  molprobity     1  True   
 759   759  t60       -72.9   -40.4  Favored   7  11  0.29  15  0.26  molprobity     1  True   
 760   760  t70       -62.2   -38.2  Favored   4   8  0.32  11  0.36  molprobity     1  True   
 761   761  m         -81.2   -12.1  Favored   9   7  0.43  10  0.46  molprobity     1  True   
 762   762  ?          96.2    24.9  Favored   3   4  0.64   5  0.32  molprobity     1  True   
 763   763  t         -91.7   -56.6  Favored   9   7  0.43  10  0.49  molprobity     1  True   
 764   764  mt       -105.1   125.9  Favored  11   8  0.38  11  0.22  molprobity     1  True   
 765   765  tt0       -93.9   140.2  Favored   6   9  0.34  12  0.35  molprobity     1  True   
 766   766  mttt      -88.6    94.0  Favored  13   9  0.39  11  0.32  molprobity     1  True   
 767   767  t         -71.6   132.5  Favored   9   7  0.26  10  0.36  molprobity     1  True   
 768   768  t30        73.4    24.4  Favored   6   8  0.49  11  0.25  molprobity     ?  False  
 769   769  ?         -74.4   -17.6  Favored   5   5  0.42   7  0.27  molprobity     ?  False  
 770   770  ?          53.4   -94.2  OUTLIER   3   4  0.51   5  0.24  molprobity     ?  False  
 771   771  mtmm     -127.5    38.9  Favored  13   9  0.34  11  0.28  molprobity     ?  False  
 772   772  ?         109.1    42.5  Allowed   3   4  0.59   5  0.31  molprobity     ?  False  
 773   773  m        -111.7   146.9  Favored   9   7  0.51  11  0.57  molprobity     ?  False  
 774   774  Cg_exo    -67.8    95.2  Allowed   7   8  0.35  11  0.36  molprobity     ?  False  
 775   775  ?         -99.3  -134.9  Favored   3   4  0.41   5  0.25  molprobity     ?  False  
 776   776  mt        -97.3   132.6  Favored  11   8  0.36  11  0.31  molprobity     1  True   
 777   777  m95       -84.4   125.4  Favored  10  16  0.22  23  0.30  molprobity     1  True   
 778   778  ttt180   -140.0   117.8  Favored  13  11  1.23  14  0.67  molprobity     1  True   
 779   779  pt?       -66.3   152.9  Favored  11   8  0.47  11  0.36  molprobity     1  True   
 780   780  mt        -80.7   124.8  Favored  11   8  0.39  11  0.21  molprobity     1  True   
 781   781  OUTLIER       ?       ?  ?         6   8  0.73   9  0.63  molprobity     ?  False  
 782   782  ttt           ?       ?  ?        11   8  0.62  10  0.35  molprobity     ?  False  
 783   783  p         -57.6    99.6  OUTLIER   5   6  0.53   8  0.37  molprobity     ?  False  
 784   784  pt-20     -59.8   -33.5  Favored   6   9  0.38  12  0.38  molprobity     ?  False  
 785   785  t         -75.3    87.9  Favored   5   6  0.40   8  0.28  molprobity     ?  False  
 786   786  tt        -59.6   -24.8  Favored  11   8  0.32  11  0.50  molprobity     1  True   
 787   787  t         -56.8   -49.4  Favored   9   7  0.23  10  0.42  molprobity     1  True   
 788   788  m         -58.6   -33.3  Favored   7   7  0.53  10  0.44  molprobity     1  True   
 789   789  tttp      -62.6   -49.8  Favored  13   9  0.30  11  0.29  molprobity     1  True   
 790   790  mt        -58.3   -43.5  Favored  11   8  0.33  11  0.37  molprobity     1  True   
 791   791  mt        -57.5   -42.1  Favored  11   8  0.35  11  0.39  molprobity     1  True   
 792   792  m         -64.0   -34.2  Favored   5   6  0.45   8  0.17  molprobity     1  True   
 793   793  mt        -66.4   -46.0  Favored  11   8  0.31  11  0.37  molprobity     1  True   
 794   794  t         -60.5   -45.6  Favored   9   7  0.34  10  0.46  molprobity     1  True   
 795   795  tt0       -55.9   -49.6  Favored   8   9  0.38  12  0.42  molprobity     1  True   
 796   796  tm-20     -54.6   -56.3  Favored   6   9  0.49  12  0.57  molprobity     1  True   
 797   797  mmt-85    -57.5   -40.1  Favored  13  11  1.13  14  0.55  molprobity     1  True   
 798   798  mt-30     -61.4   -47.4  Favored   8   9  0.36  12  0.35  molprobity     1  True   
 799   799  m-20      -57.9   -27.0  Favored   6   8  0.41  11  0.25  molprobity     1  True   
 800   800  mtt       -55.8   -41.7  Favored   9   8  0.42  10  0.42  molprobity     1  True   
 801   801  t70      -128.6     8.6  Favored   4   8  0.42  11  0.53  molprobity     1  True   
 802   802  t70        54.7    97.2  OUTLIER   4   8  0.44  11  0.45  molprobity     1  True   
 803   803  ?          95.2   -13.6  Favored   3   4  0.62   5  0.28  molprobity     1  True   
 804   804  ?         -56.4   120.6  Favored   5   5  0.54   8  0.57  molprobity     1  True   
 805   805  Cg_endo   -75.1   152.9  Favored   7   8  0.40  11  0.22  molprobity     1  True   
 806   806  t        -117.1   150.9  Favored   9   7  0.38  10  0.47  molprobity     1  True   
 807   807  mptt      -87.9   158.1  Favored  13   9  0.42  11  0.45  molprobity     1  True   
 808   808  m         -56.4   -47.3  Favored   7   7  0.49  10  0.59  molprobity     1  True   
 809   809  OUTLIER   -62.5   -37.8  Favored  13  11  1.23  14  0.41  molprobity     1  True   
 810   810  m-20      -64.2   -44.8  Favored   4   8  0.25  11  0.36  molprobity     1  True   
 811   811  mt        -63.6   -47.4  Favored  11   8  0.28  11  0.39  molprobity     1  True   
 812   812  ?         -57.8   -42.0  Favored   5   5  0.31   7  0.29  molprobity     1  True   
 813   813  t70       -63.0   -47.5  Favored   4   8  0.23  11  0.31  molprobity     1  True   
 814   814  ?         -67.4   -26.6  Favored   5   5  0.30   7  0.26  molprobity     1  True   
 815   815  ?         -89.7   -22.0  Favored   5   5  0.34   7  0.31  molprobity     1  True   
 816   816  ?          74.4    34.2  Favored   3   4  0.38   5  0.30  molprobity     1  True   
 817   817  mt       -115.3  -178.8  Favored  11   8  0.39  11  0.33  molprobity     1  True   
 818   818  m         -84.8   141.9  Favored   5   6  0.40   8  0.23  molprobity     1  True   
 819   819  mm        -55.6   -58.5  Favored  11   8  0.39  11  0.48  molprobity     1  True   
 820   820  t80       -60.4   -40.4  Favored   9  13  0.41  18  0.31  molprobity     1  True   
 821   821  tp-100    -57.5   -52.5  Favored   8   9  0.38  12  0.32  molprobity     1  True   
 822   822  t         -58.5   -45.1  Favored   9   7  0.29  10  0.41  molprobity     1  True   
 823   823  ttt180    -51.2   -39.3  Favored  13  11  1.19  14  0.64  molprobity     1  True   
 824   824  mt        -65.5   -44.7  Favored  11   8  0.38  11  0.13  molprobity     1  True   
 825   825  m-85      -62.4   -40.4  Favored   9  13  0.43  18  0.34  molprobity     1  True   
 826   826  mt        -65.4   -45.1  Favored  11   8  0.33  11  0.20  molprobity     1  True   
 827   827  mm-40     -66.1   -38.9  Favored   6   9  0.42  12  0.44  molprobity     1  True   
 828   828  pt20      -66.7   -36.6  Favored   8   9  0.38  12  0.30  molprobity     1  True   
 829   829  mt        -68.1   -38.9  Favored  11   8  0.33  11  0.29  molprobity     1  True   
 830   830  t-80      -68.3   -21.6  Favored   7  11  0.29  15  0.36  molprobity     1  True   
 831   831  t70       -83.4   -50.9  Favored   4   8  0.30  11  0.38  molprobity     1  True   
 832   832  m         -70.7   -31.1  Favored   9   7  0.46  10  0.55  molprobity     1  True   
 833   833  ?         116.9    43.9  Allowed   3   4  0.69   5  0.23  molprobity     1  True   
 834   834  t        -116.3   -38.1  Favored   9   7  0.41  10  0.45  molprobity     1  True   
 835   835  mt       -111.3   137.0  Favored  11   8  0.39  11  0.34  molprobity     1  True   
 836   836  tt0      -103.3   136.1  Favored   6   9  0.35  12  0.38  molprobity     1  True   
 837   837  pttm      -94.0   144.1  Favored  13   9  0.39  11  0.34  molprobity     1  True   
 838   838  t        -103.8   142.9  Favored   9   7  0.27  10  0.42  molprobity     1  True   
 839   839  m-20       76.4   163.3  Allowed   6   8  0.47  11  0.29  molprobity     ?  False  
 840   840  ?         -66.3   -17.6  Favored   5   5  0.44   7  0.51  molprobity     ?  False  
 841   841  ?          81.1   -37.9  Favored   3   4  0.58   5  0.12  molprobity     ?  False  
 842   842  mtpt      -76.0   119.8  Favored  13   9  0.35  11  0.29  molprobity     ?  False  
 843   843  ?          76.6   -60.7  Favored   3   4  0.46   5  0.25  molprobity     ?  False  
 844   844  m         -75.9   152.4  Favored   9   7  0.44  11  0.51  molprobity     ?  False  
 845   845  Cg_endo   -66.8   119.2  Favored   7   8  0.47  11  0.30  molprobity     ?  False  
 846   846  ?         -74.2   108.5  Favored   3   4  0.41   5  0.14  molprobity     ?  False  
 847   847  mt        -91.0   143.6  Favored  11   8  0.40  11  0.19  molprobity     1  True   
 848   848  m95      -106.3   127.7  Favored  10  16  0.21  23  0.21  molprobity     1  True   
 849   849  ptt180   -140.6   121.7  Favored  13  11  1.25  14  0.62  molprobity     1  True   
 850   850  pp        -69.2   161.2  Favored  11   8  0.46  11  0.38  molprobity     1  True   
 851   851  pt?      -138.9    34.5  Favored  11   8  0.48  11  0.29  molprobity     1  True   
 852   852  mt-10         ?       ?  ?         6   8  0.71   9  0.50  molprobity     ?  False  
 853   853  mtt           ?       ?  ?        11   8  0.65  10  0.38  molprobity     ?  False  
 854   854  p         -92.9   -20.1  Favored   5   6  0.39   8  0.34  molprobity     ?  False  
 855   855  mt-10     -63.7   137.1  Favored   6   9  0.32  12  0.40  molprobity     ?  False  
 856   856  m         -75.0    65.0  Allowed   5   6  0.55   8  0.25  molprobity     ?  False  
 857   857  tp        -60.7   -38.5  Favored  11   8  0.34  11  0.34  molprobity     1  True   
 858   858  t         -58.8   -47.1  Favored   9   7  0.37  10  0.46  molprobity     1  True   
 859   859  m         -61.5   -40.2  Favored   7   7  0.38  10  0.51  molprobity     1  True   
 860   860  tttt      -61.1   -46.5  Favored  13   9  0.30  11  0.16  molprobity     1  True   
 861   861  mt        -55.2   -49.3  Favored  11   8  0.29  11  0.35  molprobity     1  True   
 862   862  mt        -59.1   -40.6  Favored  11   8  0.36  11  0.38  molprobity     1  True   
 863   863  t         -63.4   -35.7  Favored   5   6  0.48   8  0.18  molprobity     1  True   
 864   864  mt        -65.5   -44.1  Favored  11   8  0.31  11  0.45  molprobity     1  True   
 865   865  t         -56.9   -46.9  Favored   9   7  0.37  10  0.37  molprobity     1  True   
 866   866  tt0       -61.3   -49.1  Favored   8   9  0.43  12  0.39  molprobity     1  True   
 867   867  tm-20     -54.5   -53.4  Favored   6   9  0.52  12  0.59  molprobity     1  True   
 868   868  mmp_?     -56.1   -42.2  Favored  13  11  1.21  14  0.49  molprobity     1  True   
 869   869  mt-30     -70.2   -31.1  Favored   8   9  0.39  12  0.25  molprobity     1  True   
 870   870  m-20      -60.7   -33.4  Favored   6   8  0.38  11  0.26  molprobity     1  True   
 871   871  mmm       -61.6   -34.9  Favored   9   8  0.35  10  0.24  molprobity     1  True   
 872   872  t0       -159.5   110.2  Allowed   4   8  0.37  11  0.52  molprobity     1  True   
 873   873  p-10      -59.9   -17.7  Favored   4   8  0.38  11  0.47  molprobity     1  True   
 874   874  ?        -100.9    12.7  Favored   3   4  0.51   5  0.10  molprobity     1  True   
 875   875  ?        -123.0   139.8  Favored   5   5  0.46   8  0.44  molprobity     1  True   
 876   876  Cg_endo   -88.0   174.3  Favored   7   8  0.45  11  0.42  molprobity     1  True   
 877   877  t        -101.9   135.9  Favored   9   7  0.29  10  0.39  molprobity     1  True   
 878   878  OUTLIER   -90.4   143.1  Favored  13   9  0.32  11  0.48  molprobity     1  True   
 879   879  m         -56.0   -37.3  Favored   7   7  0.51  10  0.52  molprobity     1  True   
 880   880  mmm-85    -60.5   -55.8  Favored  13  11  1.20  14  0.56  molprobity     1  True   
 881   881  m-20      -51.6   -44.9  Favored   4   8  0.38  11  0.45  molprobity     1  True   
 882   882  mt        -61.8   -45.4  Favored  11   8  0.26  11  0.38  molprobity     1  True   
 883   883  ?         -60.5   -31.9  Favored   5   5  0.39   7  0.27  molprobity     1  True   
 884   884  t70       -67.5   -51.1  Favored   4   8  0.31  11  0.34  molprobity     1  True   
 885   885  ?         -74.5   -27.0  Favored   5   5  0.44   7  0.25  molprobity     1  True   
 886   886  ?         -86.7   -28.5  Favored   5   5  0.42   7  0.34  molprobity     1  True   
 887   887  ?          73.0    32.6  Favored   3   4  0.49   5  0.20  molprobity     1  True   
 888   888  mt       -115.6   166.6  Favored  11   8  0.44  11  0.19  molprobity     1  True   
 889   889  p         -70.1   143.7  Favored   5   6  0.43   8  0.23  molprobity     1  True   
 890   890  mm        -49.1   -50.1  Favored  11   8  0.41  11  0.49  molprobity     1  True   
 891   891  t80       -62.7   -42.8  Favored   9  13  0.35  18  0.21  molprobity     1  True   
 892   892  tt0       -64.0   -43.9  Favored   8   9  0.38  12  0.24  molprobity     1  True   
 893   893  t         -57.8   -42.9  Favored   9   7  0.34  10  0.40  molprobity     1  True   
 894   894  mtp180    -55.8   -40.4  Favored  13  11  1.19  14  0.39  molprobity     1  True   
 895   895  mt        -59.3   -44.5  Favored  11   8  0.41  11  0.18  molprobity     1  True   
 896   896  m-85      -65.4   -54.0  Favored   9  13  0.35  18  0.31  molprobity     1  True   
 897   897  mt        -56.8   -38.3  Favored  11   8  0.39  11  0.31  molprobity     1  True   
 898   898  tm-20     -61.6   -53.7  Favored   6   9  0.41  12  0.43  molprobity     1  True   
 899   899  pt20      -67.8   -39.0  Favored   8   9  0.40  12  0.27  molprobity     1  True   
 900   900  mt        -61.0   -35.3  Favored  11   8  0.40  11  0.24  molprobity     1  True   
 901   901  t60       -67.1   -46.2  Favored   7  11  0.27  15  0.26  molprobity     1  True   
 902   902  t70       -66.1   -41.6  Favored   4   8  0.30  11  0.41  molprobity     1  True   
 903   903  m         -71.2   -17.9  Favored   9   7  0.45  10  0.45  molprobity     1  True   
 904   904  ?         105.7    29.2  Favored   3   4  0.60   5  0.25  molprobity     1  True   
 905   905  t         -94.9   -49.7  Favored   9   7  0.37  10  0.50  molprobity     1  True   
 906   906  mt       -112.5   138.8  Favored  11   8  0.40  11  0.27  molprobity     1  True   
 907   907  tt0       -91.8   146.3  Favored   6   9  0.32  12  0.31  molprobity     1  True   
 908   908  pttm      -87.7   138.6  Favored  13   9  0.41  11  0.29  molprobity     1  True   
 909   909  t        -132.5   108.8  Favored   9   7  0.37  10  0.43  molprobity     1  True   
 910   910  t30        60.7    93.8  OUTLIER   6   8  0.47  11  0.29  molprobity     ?  False  
 911   911  ?        -135.0   163.5  Favored   5   5  0.44   7  0.37  molprobity     ?  False  
 912   912  ?         137.4  -124.2  Favored   3   4  0.49   5  0.25  molprobity     ?  False  
 913   913  mtpp      -78.7   103.3  Favored  13   9  0.44  11  0.31  molprobity     ?  False  
 914   914  ?          50.9    57.2  Favored   3   4  0.58   5  0.19  molprobity     ?  False  
 915   915  m        -100.9   158.8  Favored   9   7  0.50  11  0.54  molprobity     ?  False  
 916   916  Cg_endo   -69.4   -17.1  Favored   7   8  0.45  11  0.21  molprobity     ?  False  
 917   917  ?          66.6    96.2  OUTLIER   3   4  0.38   5  0.15  molprobity     ?  False  
 918   918  mt        -98.3   130.9  Favored  11   8  0.38  11  0.20  molprobity     1  True   
 919   919  m95      -128.4   146.8  Favored  10  16  0.19  23  0.24  molprobity     1  True   
 920   920  ptm180   -138.7   172.3  Favored  13  11  1.09  14  0.28  molprobity     1  True   
 921   921  pp       -108.7   168.9  Favored  11   8  0.43  11  0.38  molprobity     1  True   
 922   922  mt        -69.7    78.5  Allowed  11   8  0.39  11  0.25  molprobity     1  True   
 923   923  tp10          ?       ?  ?         6   8  0.66   9  0.40  molprobity     ?  False  
 924   924  mtt           ?       ?  ?        11   8  0.59  10  0.23  molprobity     ?  False  
 925   925  p         -72.5   106.6  Favored   5   6  0.49   8  0.36  molprobity     ?  False  
 926   926  mm-40    -104.8   108.4  Favored   6   9  0.38  12  0.38  molprobity     ?  False  
 927   927  t        -176.6   111.6  Allowed   5   6  0.49   8  0.37  molprobity     ?  False  
 928   928  mm        -76.2   -35.7  Favored  11   8  0.27  11  0.41  molprobity     1  True   
 929   929  t         -57.7   -48.1  Favored   9   7  0.31  10  0.40  molprobity     1  True   
 930   930  m         -61.3   -35.5  Favored   7   7  0.50  10  0.49  molprobity     1  True   
 931   931  tttt      -60.3   -47.9  Favored  13   9  0.32  11  0.21  molprobity     1  True   
 932   932  mt        -57.3   -48.5  Favored  11   8  0.33  11  0.38  molprobity     1  True   
 933   933  mt        -57.2   -40.5  Favored  11   8  0.34  11  0.43  molprobity     1  True   
 934   934  m         -61.3   -45.3  Favored   5   6  0.47   8  0.30  molprobity     1  True   
 935   935  mt        -57.9   -56.0  Favored  11   8  0.32  11  0.41  molprobity     1  True   
 936   936  t         -56.8   -50.8  Favored   9   7  0.35  10  0.42  molprobity     1  True   
 937   937  tp60      -57.1   -45.7  Favored   8   9  0.42  12  0.31  molprobity     1  True   
 938   938  tt0       -60.0   -40.5  Favored   6   9  0.37  12  0.37  molprobity     1  True   
 939   939  mmm-85    -62.2   -39.5  Favored  13  11  1.21  14  0.41  molprobity     1  True   
 940   940  mm-40     -65.7   -26.1  Favored   8   9  0.42  12  0.33  molprobity     1  True   
 941   941  m-20      -78.0   -19.0  Favored   6   8  0.37  11  0.21  molprobity     1  True   
 942   942  mmm       -81.0   -35.6  Favored   9   8  0.36  10  0.31  molprobity     1  True   
 943   943  t70      -143.0   138.8  Favored   4   8  0.27  11  0.38  molprobity     1  True   
 944   944  m-20      -61.8   -11.3  Favored   4   8  0.37  11  0.55  molprobity     1  True   
 945   945  ?        -150.1    51.6  Allowed   3   4  0.24   5  0.18  molprobity     1  True   
 946   946  ?         -83.8   109.5  Favored   5   5  0.44   8  0.48  molprobity     1  True   
 947   947  Cg_endo   -80.0   108.0  Favored   7   8  0.36  11  0.25  molprobity     1  True   
 948   948  t         -79.0   144.3  Favored   9   7  0.33  10  0.37  molprobity     1  True   
 949   949  OUTLIER   -95.4   138.8  Favored  13   9  0.37  11  0.32  molprobity     1  True   
 950   950  m         -52.7   -38.8  Favored   7   7  0.52  10  0.57  molprobity     1  True   
 951   951  mmt180    -60.5   -58.5  Favored  13  11  1.20  14  0.52  molprobity     1  True   
 952   952  t70       -51.2   -46.3  Favored   4   8  0.37  11  0.44  molprobity     1  True   
 953   953  mt        -60.5   -44.5  Favored  11   8  0.28  11  0.39  molprobity     1  True   
 954   954  ?         -59.6   -48.0  Favored   5   5  0.32   7  0.24  molprobity     1  True   
 955   955  m-20      -61.7   -52.8  Favored   4   8  0.26  11  0.40  molprobity     1  True   
 956   956  ?         -65.4   -37.7  Favored   5   5  0.41   7  0.24  molprobity     1  True   
 957   957  ?         -76.2   -35.9  Favored   5   5  0.38   7  0.27  molprobity     1  True   
 958   958  ?          91.3    33.1  Favored   3   4  0.38   5  0.16  molprobity     1  True   
 959   959  mt       -120.1   171.8  Favored  11   8  0.38  11  0.32  molprobity     1  True   
 960   960  m         -81.8   147.3  Favored   5   6  0.41   8  0.16  molprobity     1  True   
 961   961  mm        -51.2   -58.6  Allowed  11   8  0.44  11  0.47  molprobity     1  True   
 962   962  t80       -62.4   -32.1  Favored   9  13  0.35  18  0.25  molprobity     1  True   
 963   963  tt0       -61.3   -45.3  Favored   8   9  0.41  12  0.37  molprobity     1  True   
 964   964  t         -62.5   -36.8  Favored   9   7  0.32  10  0.31  molprobity     1  True   
 965   965  OUTLIER   -47.3   -53.1  Favored  13  11  1.25  14  0.90  molprobity     1  True   
 966   966  mt        -60.1   -48.7  Favored  11   8  0.33  11  0.21  molprobity     1  True   
 967   967  m-85      -57.4   -50.0  Favored   9  13  0.39  18  0.27  molprobity     1  True   
 968   968  mt        -63.0   -46.6  Favored  11   8  0.39  11  0.22  molprobity     1  True   
 969   969  mt-10     -61.1   -41.8  Favored   6   9  0.30  12  0.36  molprobity     1  True   
 970   970  mt-30     -65.5   -40.0  Favored   8   9  0.34  12  0.22  molprobity     1  True   
 971   971  mt        -62.0   -30.5  Favored  11   8  0.40  11  0.17  molprobity     1  True   
 972   972  t60       -65.1   -44.8  Favored   7  11  0.29  15  0.23  molprobity     1  True   
 973   973  m-20      -62.2   -48.0  Favored   4   8  0.34  11  0.43  molprobity     1  True   
 974   974  m         -74.3     2.8  Allowed   9   7  0.44  10  0.50  molprobity     1  True   
 975   975  ?          86.7    35.0  Favored   3   4  0.51   5  0.23  molprobity     1  True   
 976   976  t        -107.7   -60.7  Favored   9   7  0.32  10  0.41  molprobity     1  True   
 977   977  mt       -101.0   164.0  Favored  11   8  0.45  11  0.42  molprobity     1  True   
 978   978  tp10     -136.5   145.0  Favored   6   9  0.40  12  0.30  molprobity     1  True   
 979   979  pttp      -84.2   141.6  Favored  13   9  0.36  11  0.34  molprobity     1  True   
 980   980  t        -120.2    88.5  Allowed   9   7  0.42  10  0.46  molprobity     1  True   
 981   981  p30      -161.9  -167.4  Allowed   6   8  0.46  11  0.25  molprobity     ?  False  
 982   982  ?         -83.9   -57.6  Favored   5   5  0.42   7  0.36  molprobity     ?  False  
 983   983  ?        -107.0  -132.6  Favored   3   4  0.48   5  0.19  molprobity     ?  False  
 984   984  mptt     -124.2   146.8  Favored  13   9  0.42  11  0.47  molprobity     ?  False  
 985   985  ?          77.1   -37.9  Allowed   3   4  0.75   5  0.29  molprobity     ?  False  
 986   986  m         -55.3   133.1  Favored   9   7  0.46  11  0.59  molprobity     ?  False  
 987   987  Cg_endo   -69.9   147.0  Favored   7   8  0.34  11  0.31  molprobity     ?  False  
 988   988  ?        -174.6  -119.2  Allowed   3   4  0.42   5  0.21  molprobity     ?  False  
 989   989  mt       -107.6   154.2  Favored  11   8  0.38  11  0.15  molprobity     1  True   
 990   990  m95      -129.8   122.7  Favored  10  16  0.24  23  0.23  molprobity     1  True   
 991   991  mtp180   -104.2  -172.7  Favored  13  11  1.22  14  0.52  molprobity     1  True   
 992   992  pp       -126.4   164.6  Favored  11   8  0.42  11  0.41  molprobity     1  True   
 993   993  mt        -67.3    92.2  Allowed  11   8  0.39  11  0.47  molprobity     1  True   
 994   994  mt-10         ?       ?  ?         6   8  0.59   9  0.51  molprobity     ?  False  
 995   995  mtt           ?       ?  ?        11   8  0.65  10  0.31  molprobity     ?  False  
 996   996  t        -138.4   130.9  Favored   5   6  0.41   8  0.24  molprobity     ?  False  
 997   997  pt-20    -133.4    22.9  Favored   6   9  0.31  12  0.37  molprobity     ?  False  
 998   998  t         -78.9    68.1  Favored   5   6  0.48   8  0.25  molprobity     ?  False  
 999   999  mp        -91.1   -39.4  Favored  11   8  0.47  11  0.46  molprobity     1  True   
1000  1000  t         -60.1   -36.6  Favored   9   7  0.40  10  0.34  molprobity     1  True   
1001  1001  m         -54.3   -41.2  Favored   7   7  0.46  10  0.53  molprobity     1  True   
1002  1002  ttmm      -60.9   -47.1  Favored  13   9  0.30  11  0.19  molprobity     1  True   
1003  1003  mt        -57.3   -46.7  Favored  11   8  0.30  11  0.35  molprobity     1  True   
1004  1004  mt        -59.6   -43.0  Favored  11   8  0.31  11  0.43  molprobity     1  True   
1005  1005  t         -62.7   -39.1  Favored   5   6  0.51   8  0.22  molprobity     1  True   
1006  1006  mt        -61.7   -51.0  Favored  11   8  0.34  11  0.37  molprobity     1  True   
1007  1007  t         -60.9   -45.1  Favored   9   7  0.34  10  0.36  molprobity     1  True   
1008  1008  tp60      -60.3   -46.2  Favored   8   9  0.39  12  0.30  molprobity     1  True   
1009  1009  tp10      -61.5   -39.2  Favored   6   9  0.28  12  0.37  molprobity     1  True   
1010  1010  mmm-85    -65.3   -41.3  Favored  13  11  1.24  14  0.40  molprobity     1  True   
1011  1011  mm-40     -64.7   -31.1  Favored   8   9  0.39  12  0.42  molprobity     1  True   
1012  1012  t30       -75.8   -20.3  Favored   6   8  0.35  11  0.54  molprobity     1  True   
1013  1013  mmm      -102.8   -69.6  Allowed   9   8  0.36  10  0.29  molprobity     1  True   
1014  1014  m-20      -66.7   -66.5  Allowed   4   8  0.29  11  0.38  molprobity     1  True   
1015  1015  t70        69.3   -60.9  Allowed   4   8  0.46  11  0.46  molprobity     1  True   
1016  1016  ?         -69.7   -28.1  Favored   3   4  0.41   5  0.20  molprobity     1  True   
1017  1017  ?        -103.2   134.0  Favored   5   5  0.42   8  0.44  molprobity     1  True   
1018  1018  Cg_exo    -71.9   167.0  Favored   7   8  0.44  11  0.41  molprobity     1  True   
1019  1019  t         -85.4   142.1  Favored   9   7  0.30  10  0.43  molprobity     1  True   
1020  1020  OUTLIER  -102.1   146.6  Favored  13   9  0.40  11  0.42  molprobity     1  True   
1021  1021  m         -59.5   -29.7  Favored   7   7  0.53  10  0.55  molprobity     1  True   
1022  1022  mmm180    -58.5   -61.6  Favored  13  11  1.21  14  0.46  molprobity     1  True   
1023  1023  m-20      -51.6   -43.0  Favored   4   8  0.27  11  0.50  molprobity     1  True   
1024  1024  mt        -64.5   -42.4  Favored  11   8  0.29  11  0.37  molprobity     1  True   
1025  1025  ?         -63.1   -47.9  Favored   5   5  0.39   7  0.25  molprobity     1  True   
1026  1026  m-20      -67.8   -42.3  Favored   4   8  0.33  11  0.41  molprobity     1  True   
1027  1027  ?         -69.6   -49.5  Favored   5   5  0.37   7  0.24  molprobity     1  True   
1028  1028  ?         -77.6   -28.2  Favored   5   5  0.47   7  0.36  molprobity     1  True   
1029  1029  ?          81.8    54.4  Favored   3   4  0.44   5  0.22  molprobity     1  True   
1030  1030  mt       -132.8   159.0  Favored  11   8  0.46  11  0.27  molprobity     1  True   
1031  1031  m         -73.5   145.7  Favored   5   6  0.41   8  0.14  molprobity     1  True   
1032  1032  mm        -50.2   -41.5  Favored  11   8  0.45  11  0.37  molprobity     1  True   
1033  1033  t80       -59.8   -55.4  Favored   9  13  0.38  18  0.26  molprobity     1  True   
1034  1034  tp60      -52.0   -45.7  Favored   8   9  0.45  12  0.50  molprobity     1  True   
1035  1035  t         -61.6   -49.4  Favored   9   7  0.30  10  0.38  molprobity     1  True   
1036  1036  mtm105    -58.3   -36.9  Favored  13  11  1.08  14  0.57  molprobity     1  True   
1037  1037  mt        -56.6   -52.4  Favored  11   8  0.34  11  0.27  molprobity     1  True   
1038  1038  m-85      -65.0   -43.6  Favored   9  13  0.38  18  0.23  molprobity     1  True   
1039  1039  mt        -65.9   -50.0  Favored  11   8  0.40  11  0.22  molprobity     1  True   
1040  1040  mt-10     -62.7   -34.1  Favored   6   9  0.34  12  0.34  molprobity     1  True   
1041  1041  mm-40     -68.1   -48.0  Favored   8   9  0.41  12  0.34  molprobity     1  True   
1042  1042  mt        -58.2   -32.8  Favored  11   8  0.42  11  0.20  molprobity     1  True   
1043  1043  t60       -68.2   -45.0  Favored   7  11  0.28  15  0.29  molprobity     1  True   
1044  1044  t70       -64.5   -42.4  Favored   4   8  0.31  11  0.43  molprobity     1  True   
1045  1045  m         -74.4    -9.8  Favored   9   7  0.50  10  0.43  molprobity     1  True   
1046  1046  ?         102.5    10.9  Favored   3   4  0.69   5  0.40  molprobity     1  True   
1047  1047  t         -82.3   -52.9  Favored   9   7  0.43  10  0.50  molprobity     1  True   
1048  1048  mt       -106.1   161.0  Favored  11   8  0.40  11  0.40  molprobity     1  True   
1049  1049  tp10     -129.4   139.3  Favored   6   9  0.45  12  0.39  molprobity     1  True   
1050  1050  ttpt      -88.9   103.2  Favored  13   9  0.38  11  0.25  molprobity     1  True   
1051  1051  t         -79.2    93.1  Allowed   9   7  0.36  10  0.36  molprobity     1  True   
1052  1052  t-20     -143.2   122.8  Favored   6   8  0.35  11  0.31  molprobity     ?  False  
1053  1053  ?         -71.2   -22.0  Favored   5   5  0.39   7  0.41  molprobity     ?  False  
1054  1054  ?         145.6  -164.9  Favored   3   4  0.46   5  0.35  molprobity     ?  False  
1055  1055  mtpt      -59.1   116.8  Favored  13   9  0.41  11  0.31  molprobity     ?  False  
1056  1056  ?         126.9   -59.7  Allowed   3   4  0.40   5  0.15  molprobity     ?  False  
1057  1057  m         -70.1   153.8  Favored   9   7  0.47  11  0.53  molprobity     ?  False  
1058  1058  Cg_endo   -67.8   155.8  Favored   7   8  0.44  11  0.36  molprobity     ?  False  
1059  1059  ?         -82.9   104.4  Favored   3   4  0.42   5  0.14  molprobity     ?  False  
1060  1060  mt        -94.5   156.2  Favored  11   8  0.40  11  0.15  molprobity     1  True   
1061  1061  m95      -128.2   147.2  Favored  10  16  0.24  23  0.24  molprobity     1  True   
1062  1062  ptt180   -150.9   134.6  Favored  13  11  1.19  14  0.49  molprobity     1  True   
1063  1063  pp        -78.7   141.9  Favored  11   8  0.47  11  0.42  molprobity     1  True   
1064  1064  pt?      -124.9   -26.6  Favored  11   8  0.53  11  0.28  molprobity     1  True   
1065  1065  tt0           ?       ?  ?         6   8  0.63   9  0.41  molprobity     ?  False  
1066  1066  mtp           ?       ?  ?        11   8  0.59  10  0.42  molprobity     ?  False  
1067  1067  t          57.6    72.7  Allowed   5   6  0.50   8  0.35  molprobity     ?  False  
1068  1068  tp10     -105.0   100.5  Favored   6   9  0.46  12  0.41  molprobity     ?  False  
1069  1069  m         -91.8   102.5  Favored   5   6  0.41   8  0.22  molprobity     ?  False  
1070  1070  mm        -61.6   -49.9  Favored  11   8  0.35  11  0.37  molprobity     1  True   
1071  1071  t         -62.9   -52.8  Favored   9   7  0.35  10  0.40  molprobity     1  True   
1072  1072  m         -59.2   -35.4  Favored   7   7  0.49  10  0.54  molprobity     1  True   
1073  1073  tppp?     -57.4   -50.7  Favored  13   9  0.39  11  0.37  molprobity     1  True   
1074  1074  mt        -58.0   -51.8  Favored  11   8  0.33  11  0.38  molprobity     1  True   
1075  1075  mt        -55.5   -47.3  Favored  11   8  0.40  11  0.45  molprobity     1  True   
1076  1076  p         -60.5   -42.5  Favored   5   6  0.53   8  0.28  molprobity     1  True   
1077  1077  mt        -63.1   -47.0  Favored  11   8  0.30  11  0.37  molprobity     1  True   
1078  1078  t         -54.0   -55.3  Favored   9   7  0.35  10  0.42  molprobity     1  True   
1079  1079  tt0       -57.9   -40.0  Favored   8   9  0.37  12  0.25  molprobity     1  True   
1080  1080  tp10      -66.2   -43.0  Favored   6   9  0.35  12  0.37  molprobity     1  True   
1081  1081  mmp_?     -57.6   -40.0  Favored  13  11  1.20  14  0.60  molprobity     1  True   
1082  1082  mm100     -62.0   -40.6  Favored   8   9  0.35  12  0.28  molprobity     1  True   
1083  1083  m-20      -60.9   -28.8  Favored   6   8  0.34  11  0.21  molprobity     1  True   
1084  1084  mmt       -60.5   -53.4  Favored   9   8  0.43  10  0.59  molprobity     1  True   
1085  1085  t70      -117.9   142.3  Favored   4   8  0.36  11  0.40  molprobity     1  True   
1086  1086  m-20      -63.0    94.1  Allowed   4   8  0.26  11  0.41  molprobity     1  True   
1087  1087  ?          83.5    43.5  Favored   3   4  0.44   5  0.35  molprobity     1  True   
1088  1088  ?         -67.5   147.2  Favored   5   5  0.33   8  0.61  molprobity     1  True   
1089  1089  Cg_endo  -100.7   131.0  Allowed   7   8  0.52  11  0.42  molprobity     1  True   
1090  1090  t         -79.3   138.4  Favored   9   7  0.33  10  0.53  molprobity     1  True   
1091  1091  OUTLIER   -89.8   134.1  Favored  13   9  0.38  11  0.40  molprobity     1  True   
1092  1092  m         -55.8   -28.0  Favored   7   7  0.56  10  0.50  molprobity     1  True   
1093  1093  mmt180    -65.2   -54.6  Favored  13  11  1.21  14  0.42  molprobity     1  True   
1094  1094  OUTLIER   -49.2   -50.4  Favored   4   8  0.30  11  0.40  molprobity     1  True   
1095  1095  mt        -58.2   -57.8  Favored  11   8  0.25  11  0.51  molprobity     1  True   
1096  1096  ?         -58.1   -45.5  Favored   5   5  0.36   7  0.35  molprobity     1  True   
1097  1097  t70       -61.6   -42.4  Favored   4   8  0.26  11  0.43  molprobity     1  True   
1098  1098  ?         -79.0   -41.4  Favored   5   5  0.42   7  0.27  molprobity     1  True   
1099  1099  ?         -74.3   -19.9  Favored   5   5  0.45   7  0.39  molprobity     1  True   
1100  1100  ?          89.3    17.0  Favored   3   4  0.49   5  0.22  molprobity     1  True   
1101  1101  mt       -106.4   170.9  Favored  11   8  0.36  11  0.24  molprobity     1  True   
1102  1102  t         -94.7   162.0  Favored   5   6  0.34   8  0.25  molprobity     1  True   
1103  1103  mm        -57.1   -48.9  Favored  11   8  0.35  11  0.42  molprobity     1  True   
1104  1104  p90       -60.1   -44.1  Favored   9  13  0.43  18  0.28  molprobity     1  True   
1105  1105  tp-100    -57.6   -52.3  Favored   8   9  0.34  12  0.39  molprobity     1  True   
1106  1106  t         -59.5   -46.3  Favored   9   7  0.19  10  0.33  molprobity     1  True   
1107  1107  mtm105    -58.5   -28.9  Favored  13  11  1.16  14  0.47  molprobity     1  True   
1108  1108  mt        -65.8   -52.3  Favored  11   8  0.37  11  0.21  molprobity     1  True   
1109  1109  m-85      -63.3   -41.0  Favored   9  13  0.37  18  0.19  molprobity     1  True   
1110  1110  mt        -62.7   -37.9  Favored  11   8  0.38  11  0.20  molprobity     1  True   
1111  1111  tt0       -60.9   -42.7  Favored   6   9  0.34  12  0.35  molprobity     1  True   
1112  1112  mm-40     -62.5   -51.7  Favored   8   9  0.41  12  0.34  molprobity     1  True   
1113  1113  mt        -57.9   -31.8  Favored  11   8  0.44  11  0.21  molprobity     1  True   
1114  1114  t-80      -70.9   -34.4  Favored   7  11  0.30  15  0.31  molprobity     1  True   
1115  1115  t70       -73.5   -41.1  Favored   4   8  0.31  11  0.44  molprobity     1  True   
1116  1116  m         -84.1     7.8  Allowed   9   7  0.45  10  0.50  molprobity     1  True   
1117  1117  ?          78.5    44.7  Favored   3   4  0.63   5  0.28  molprobity     1  True   
1118  1118  t        -114.3   -42.9  Favored   9   7  0.40  10  0.43  molprobity     1  True   
1119  1119  mt       -116.8   151.9  Favored  11   8  0.42  11  0.50  molprobity     1  True   
1120  1120  tm-20    -123.0   128.2  Favored   6   9  0.41  12  0.52  molprobity     1  True   
1121  1121  OUTLIER   -87.5    93.7  Favored  13   9  0.50  11  0.44  molprobity     1  True   
1122  1122  t         -75.1   121.0  Favored   9   7  0.32  10  0.46  molprobity     1  True   
1123  1123  p-10     -142.0   125.2  Favored   6   8  0.41  11  0.23  molprobity     ?  False  
1124  1124  ?         -76.4    66.2  Favored   5   5  0.41   7  0.34  molprobity     ?  False  
1125  1125  ?          89.6  -147.6  Favored   3   4  0.58   5  0.37  molprobity     ?  False  
1126  1126  ttmm      -89.1   136.9  Favored  13   9  0.47  11  0.36  molprobity     ?  False  
1127  1127  ?          65.2    44.4  Favored   3   4  0.52   5  0.24  molprobity     ?  False  
1128  1128  m        -127.3   154.2  Favored   9   7  0.52  11  0.60  molprobity     ?  False  
1129  1129  Cg_exo    -51.6   130.4  Favored   7   8  0.44  11  0.32  molprobity     ?  False  
1130  1130  ?         -79.0   107.7  Favored   3   4  0.46   5  0.24  molprobity     ?  False  
1131  1131  mt        -99.3   157.8  Favored  11   8  0.41  11  0.20  molprobity     1  True   
1132  1132  m95      -123.1   121.8  Favored  10  16  0.26  23  0.23  molprobity     1  True   
1133  1133  ttt180   -118.7   127.5  Favored  13  11  1.16  14  0.40  molprobity     1  True   
1134  1134  pp        -79.2   150.3  Favored  11   8  0.47  11  0.41  molprobity     1  True   
1135  1135  pt?      -143.3   131.6  Favored  11   8  0.48  11  0.36  molprobity     1  True   
1136  1136  OUTLIER       ?       ?  ?         6   8  0.78   9  0.55  molprobity     ?  False  
1137  1137  ptt?          ?       ?  ?        11   8  0.57  10  0.39  molprobity     ?  False  
1138  1138  m        -104.5   -40.1  Favored   5   6  0.46   8  0.30  molprobity     ?  False  
1139  1139  mp0       -99.8   165.1  Favored   6   9  0.37  12  0.40  molprobity     ?  False  
1140  1140  m         -73.1    90.5  Allowed   5   6  0.42   8  0.25  molprobity     ?  False  
1141  1141  tt       -102.3   -22.7  Favored  11   8  0.42  11  0.39  molprobity     1  True   
1142  1142  t         -56.7   -29.9  Favored   9   7  0.37  10  0.43  molprobity     1  True   
1143  1143  m         -51.9   -41.1  Favored   7   7  0.46  10  0.58  molprobity     1  True   
1144  1144  ttmp?     -54.4   -52.1  Favored  13   9  0.39  11  0.41  molprobity     1  True   
1145  1145  mt        -59.1   -45.3  Favored  11   8  0.30  11  0.33  molprobity     1  True   
1146  1146  mt        -58.4   -43.4  Favored  11   8  0.37  11  0.43  molprobity     1  True   
1147  1147  t         -64.0   -40.1  Favored   5   6  0.40   8  0.16  molprobity     1  True   
1148  1148  mt        -63.2   -44.5  Favored  11   8  0.34  11  0.35  molprobity     1  True   
1149  1149  t         -54.1   -53.6  Favored   9   7  0.45  10  0.55  molprobity     1  True   
1150  1150  tt0       -56.5   -44.6  Favored   8   9  0.33  12  0.32  molprobity     1  True   
1151  1151  tp10      -58.3   -52.2  Favored   6   9  0.37  12  0.41  molprobity     1  True   
1152  1152  mmp_?     -49.9   -37.0  Favored  13  11  1.15  14  0.37  molprobity     1  True   
1153  1153  mt-30     -74.8   -42.5  Favored   8   9  0.39  12  0.41  molprobity     1  True   
1154  1154  m-80      -56.9   -28.7  Favored   6   8  0.52  11  0.36  molprobity     1  True   
1155  1155  mmt       -72.6   -39.2  Favored   9   8  0.34  10  0.33  molprobity     1  True   
1156  1156  m-20     -127.6    20.1  Favored   4   8  0.40  11  0.44  molprobity     1  True   
1157  1157  t70        59.2   -88.2  OUTLIER   4   8  0.42  11  0.46  molprobity     1  True   
1158  1158  ?         -85.9    56.4  Favored   3   4  0.38   5  0.35  molprobity     1  True   
1159  1159  ?         -96.0   118.2  Favored   5   5  0.25   8  0.59  molprobity     1  True   
1160  1160  Cg_endo   -78.1   119.0  Favored   7   8  0.34  11  0.22  molprobity     1  True   
1161  1161  t         -78.3   132.5  Favored   9   7  0.28  10  0.48  molprobity     1  True   
1162  1162  OUTLIER   -89.6   132.7  Favored  13   9  0.40  11  0.35  molprobity     1  True   
1163  1163  m         -49.5   -38.5  Favored   7   7  0.57  10  0.52  molprobity     1  True   
1164  1164  mtm180    -72.4   -29.1  Favored  13  11  1.18  14  0.56  molprobity     1  True   
1165  1165  m-20      -54.0   -49.3  Favored   4   8  0.35  11  0.52  molprobity     1  True   
1166  1166  mt        -64.6   -37.1  Favored  11   8  0.24  11  0.38  molprobity     1  True   
1167  1167  ?         -63.3   -47.9  Favored   5   5  0.30   7  0.22  molprobity     1  True   
1168  1168  m-20      -65.2   -48.7  Favored   4   8  0.30  11  0.38  molprobity     1  True   
1169  1169  ?         -61.6   -52.6  Favored   5   5  0.37   7  0.27  molprobity     1  True   
1170  1170  ?         -80.6   -19.9  Favored   5   5  0.40   7  0.40  molprobity     1  True   
1171  1171  ?          73.8    47.2  Favored   3   4  0.50   5  0.32  molprobity     1  True   
1172  1172  mt       -118.1   179.0  Favored  11   8  0.43  11  0.23  molprobity     1  True   
1173  1173  t         -86.6   143.7  Favored   5   6  0.40   8  0.22  molprobity     1  True   
1174  1174  mm        -55.2   -52.2  Favored  11   8  0.39  11  0.45  molprobity     1  True   
1175  1175  t80       -60.4   -42.9  Favored   9  13  0.36  18  0.30  molprobity     1  True   
1176  1176  tt0       -57.3   -56.1  Favored   8   9  0.38  12  0.33  molprobity     1  True   
1177  1177  t         -56.8   -41.4  Favored   9   7  0.34  10  0.38  molprobity     1  True   
1178  1178  tpt180    -54.9   -46.0  Favored  13  11  1.21  14  0.70  molprobity     1  True   
1179  1179  mt        -61.8   -45.1  Favored  11   8  0.40  11  0.20  molprobity     1  True   
1180  1180  m-85      -68.7   -37.9  Favored   9  13  0.37  18  0.31  molprobity     1  True   
1181  1181  mt        -66.3   -37.3  Favored  11   8  0.36  11  0.29  molprobity     1  True   
1182  1182  tt0       -57.5   -56.0  Favored   6   9  0.33  12  0.31  molprobity     1  True   
1183  1183  pt20      -60.6   -37.9  Favored   8   9  0.39  12  0.31  molprobity     1  True   
1184  1184  mt        -61.0   -44.8  Favored  11   8  0.41  11  0.20  molprobity     1  True   
1185  1185  t60       -68.0   -30.9  Favored   7  11  0.25  15  0.27  molprobity     1  True   
1186  1186  t70       -78.6   -31.9  Favored   4   8  0.28  11  0.38  molprobity     1  True   
1187  1187  m         -83.3   -25.6  Favored   9   7  0.38  10  0.43  molprobity     1  True   
1188  1188  ?         118.5     8.8  Favored   3   4  0.62   5  0.28  molprobity     1  True   
1189  1189  t         -77.9   -42.1  Favored   9   7  0.39  10  0.42  molprobity     1  True   
1190  1190  mt       -110.9   133.9  Favored  11   8  0.38  11  0.34  molprobity     1  True   
1191  1191  tp10      -91.8   154.8  Favored   6   9  0.39  12  0.35  molprobity     1  True   
1192  1192  pttt      -80.2   136.3  Favored  13   9  0.38  11  0.41  molprobity     1  True   
1193  1193  t        -132.0    92.7  Allowed   9   7  0.37  10  0.40  molprobity     1  True   
1194  1194  p-10     -158.4   149.4  Favored   6   8  0.39  11  0.26  molprobity     ?  False  
1195  1195  ?         -84.9    10.8  Favored   5   5  0.41   7  0.35  molprobity     ?  False  
1196  1196  ?          82.0   -62.0  Favored   3   4  0.48   5  0.19  molprobity     ?  False  
1197  1197  mttp      -71.5   125.8  Favored  13   9  0.42  11  0.34  molprobity     ?  False  
1198  1198  ?          73.9   -67.0  Allowed   3   4  0.52   5  0.32  molprobity     ?  False  
1199  1199  m         -52.2   130.8  Favored   9   7  0.54  11  0.62  molprobity     ?  False  
1200  1200  Cg_endo   -65.6   -40.6  Favored   7   8  0.40  11  0.29  molprobity     ?  False  
1201  1201  ?         141.1   133.2  Favored   3   4  0.45   5  0.20  molprobity     ?  False  
1202  1202  mt       -101.6   150.9  Favored  11   8  0.37  11  0.22  molprobity     1  True   
1203  1203  m95      -107.2   127.8  Favored  10  16  0.26  23  0.37  molprobity     1  True   
1204  1204  ttp180   -120.4   165.0  Favored  13  11  1.11  14  0.57  molprobity     1  True   
1205  1205  pp       -123.4   151.6  Favored  11   8  0.49  11  0.41  molprobity     1  True   
1206  1206  OUTLIER  -123.2    23.3  Favored  11   8  0.48  11  0.26  molprobity     1  True   
1207  1207  tp10          ?       ?  ?         6   8  0.66   9  0.42  molprobity     ?  False  
1208  1208  mmt           ?       ?  ?        11   8  0.62  10  0.26  molprobity     ?  False  
1209  1209  t        -153.6    91.9  Allowed   5   6  0.49   8  0.24  molprobity     ?  False  
1210  1210  pt-20    -176.2  -171.9  Allowed   6   9  0.38  12  0.39  molprobity     ?  False  
1211  1211  p          53.2    37.7  Favored   5   6  0.76   8  0.32  molprobity     ?  False  
1212  1212  mp        -53.9   -47.9  Favored  11   8  0.49  11  0.49  molprobity     1  True   
1213  1213  t         -61.9   -54.8  Favored   9   7  0.36  10  0.48  molprobity     1  True   
1214  1214  m         -59.6   -31.4  Favored   7   7  0.46  10  0.45  molprobity     1  True   
1215  1215  tptt      -57.5   -57.0  Favored  13   9  0.29  11  0.35  molprobity     1  True   
1216  1216  mt        -58.2   -43.6  Favored  11   8  0.32  11  0.34  molprobity     1  True   
1217  1217  mt        -60.6   -42.7  Favored  11   8  0.38  11  0.44  molprobity     1  True   
1218  1218  t         -65.4   -33.3  Favored   5   6  0.45   8  0.21  molprobity     1  True   
1219  1219  mt        -63.4   -48.4  Favored  11   8  0.31  11  0.36  molprobity     1  True   
1220  1220  t         -58.1   -47.4  Favored   9   7  0.34  10  0.36  molprobity     1  True   
1221  1221  tp-100    -59.5   -45.4  Favored   8   9  0.39  12  0.33  molprobity     1  True   
1222  1222  tp10      -53.6   -46.9  Favored   6   9  0.39  12  0.49  molprobity     1  True   
1223  1223  mmm180    -67.9   -37.4  Favored  13  11  1.21  14  0.66  molprobity     1  True   
1224  1224  mm-40     -62.9   -32.9  Favored   8   9  0.48  12  0.38  molprobity     1  True   
1225  1225  m-20      -92.2   -29.2  Favored   6   8  0.43  11  0.41  molprobity     1  True   
1226  1226  ptm       -70.3   -26.7  Favored   9   8  0.36  10  0.31  molprobity     1  True   
1227  1227  t70      -127.1   179.2  Favored   4   8  0.34  11  0.41  molprobity     1  True   
1228  1228  m-20     -104.2   -12.6  Favored   4   8  0.31  11  0.44  molprobity     1  True   
1229  1229  ?        -168.3    44.1  Allowed   3   4  0.35   5  0.13  molprobity     1  True   
1230  1230  ?         -97.8   107.2  Favored   5   5  0.35   8  0.48  molprobity     1  True   
1231  1231  Cg_endo   -68.5   138.8  Favored   7   8  0.30  11  0.21  molprobity     1  True   
1232  1232  t         -80.0   120.6  Favored   9   7  0.24  10  0.35  molprobity     1  True   
1233  1233  OUTLIER   -80.6   132.5  Favored  13   9  0.43  11  0.36  molprobity     1  True   
1234  1234  m         -52.0   -44.5  Favored   7   7  0.57  10  0.51  molprobity     1  True   
1235  1235  mmt180    -61.2   -45.9  Favored  13  11  1.20  14  0.53  molprobity     1  True   
1236  1236  t70       -58.5   -40.8  Favored   4   8  0.32  11  0.47  molprobity     1  True   
1237  1237  mt        -61.9   -39.7  Favored  11   8  0.31  11  0.51  molprobity     1  True   
1238  1238  ?         -57.9   -48.7  Favored   5   5  0.30   7  0.24  molprobity     1  True   
1239  1239  m-20      -64.1   -43.5  Favored   4   8  0.28  11  0.37  molprobity     1  True   
1240  1240  ?         -65.1   -41.7  Favored   5   5  0.36   7  0.28  molprobity     1  True   
1241  1241  ?         -85.6   -23.9  Favored   5   5  0.43   7  0.31  molprobity     1  True   
1242  1242  ?          77.2    40.5  Favored   3   4  0.46   5  0.19  molprobity     1  True   
1243  1243  mt       -128.6   161.1  Favored  11   8  0.42  11  0.20  molprobity     1  True   
1244  1244  m         -68.1   151.0  Favored   5   6  0.41   8  0.21  molprobity     1  True   
1245  1245  mm        -52.2   -48.8  Favored  11   8  0.35  11  0.42  molprobity     1  True   
1246  1246  t80       -59.2   -49.0  Favored   9  13  0.37  18  0.19  molprobity     1  True   
1247  1247  tp-100    -55.0   -50.8  Favored   8   9  0.42  12  0.34  molprobity     1  True   
1248  1248  t         -56.2   -49.6  Favored   9   7  0.25  10  0.41  molprobity     1  True   
1249  1249  mtp180    -61.0   -34.3  Favored  13  11  1.21  14  0.61  molprobity     1  True   
1250  1250  mt        -55.8   -47.4  Favored  11   8  0.36  11  0.27  molprobity     1  True   
1251  1251  m-85      -65.5   -43.4  Favored   9  13  0.35  18  0.23  molprobity     1  True   
1252  1252  mt        -64.2   -50.1  Favored  11   8  0.43  11  0.24  molprobity     1  True   
1253  1253  mm-40     -56.8   -45.8  Favored   6   9  0.36  12  0.31  molprobity     1  True   
1254  1254  mt-30     -62.9   -49.8  Favored   8   9  0.36  12  0.20  molprobity     1  True   
1255  1255  mt        -57.9   -28.9  Favored  11   8  0.46  11  0.21  molprobity     1  True   
1256  1256  t-80      -67.1   -56.7  Favored   7  11  0.29  15  0.29  molprobity     1  True   
1257  1257  m-20      -69.1   -23.8  Favored   4   8  0.35  11  0.55  molprobity     1  True   
1258  1258  m         -84.8    -4.6  Favored   9   7  0.46  10  0.47  molprobity     1  True   
1259  1259  ?          94.3    17.9  Favored   3   4  0.63   5  0.29  molprobity     1  True   
1260  1260  t         -90.9   -50.0  Favored   9   7  0.41  10  0.39  molprobity     1  True   
1261  1261  mt       -106.7   131.0  Favored  11   8  0.38  11  0.31  molprobity     1  True   
1262  1262  tt0      -101.3   143.7  Favored   6   9  0.37  12  0.39  molprobity     1  True   
1263  1263  OUTLIER   -66.1   141.5  Favored  13   9  0.49  11  0.42  molprobity     1  True   
1264  1264  t        -134.4   102.2  Favored   9   7  0.40  10  0.51  molprobity     1  True   
1265  1265  t30        49.4    87.1  OUTLIER   6   8  0.51  11  0.24  molprobity     ?  False  
1266  1266  ?        -156.7   175.8  Favored   5   5  0.35   7  0.40  molprobity     ?  False  
1267  1267  ?         143.1  -107.0  Allowed   3   4  0.43   5  0.25  molprobity     ?  False  
1268  1268  mtmm     -128.3   136.5  Favored  13   9  0.38  11  0.26  molprobity     ?  False  
1269  1269  ?          78.1     8.5  Favored   3   4  0.39   5  0.39  molprobity     ?  False  
1270  1270  m        -138.7   122.2  Favored   9   7  0.41  11  0.64  molprobity     ?  False  
1271  1271  Cg_exo    -63.8   111.9  Allowed   7   8  0.37  11  0.28  molprobity     ?  False  
1272  1272  ?         -56.4   123.7  Favored   3   4  0.48   5  0.27  molprobity     ?  False  
1273  1273  mt       -102.1   143.9  Favored  11   8  0.39  11  0.17  molprobity     1  True   
1274  1274  m95      -121.2   147.9  Favored  10  16  0.23  23  0.28  molprobity     1  True   
1275  1275  ptt180   -148.8   133.7  Favored  13  11  1.20  14  0.71  molprobity     1  True   
1276  1276  pp        -72.7   163.3  Favored  11   8  0.44  11  0.38  molprobity     1  True   
1277  1277  mt        -68.2    86.1  Allowed  11   8  0.44  11  0.35  molprobity     1  True   
1278  1278  mp0           ?       ?  ?         6   8  0.79   9  0.49  molprobity     ?  False  
1279  1279  mmt           ?       ?  ?        11   8  0.54  10  0.27  molprobity     ?  False  
1280  1280  m         -91.6   149.0  Favored   5   6  0.46   8  0.23  molprobity     ?  False  
1281  1281  mm-40     -61.7   -21.8  Favored   6   9  0.45  12  0.42  molprobity     ?  False  
1282  1282  m         -56.8   -27.9  Favored   5   6  0.51   8  0.31  molprobity     ?  False  
1283  1283  mt        -52.3   -56.2  Favored  11   8  0.41  11  0.44  molprobity     1  True   
1284  1284  t         -71.7   -46.0  Favored   9   7  0.33  10  0.49  molprobity     1  True   
1285  1285  m         -55.2   -39.5  Favored   7   7  0.52  10  0.41  molprobity     1  True   
1286  1286  tptt      -62.0   -50.9  Favored  13   9  0.33  11  0.21  molprobity     1  True   
1287  1287  mt        -55.8   -46.4  Favored  11   8  0.31  11  0.37  molprobity     1  True   
1288  1288  mt        -58.9   -45.2  Favored  11   8  0.34  11  0.46  molprobity     1  True   
1289  1289  t         -62.4   -35.2  Favored   5   6  0.41   8  0.20  molprobity     1  True   
1290  1290  mt        -64.7   -49.7  Favored  11   8  0.28  11  0.42  molprobity     1  True   
1291  1291  t         -54.2   -49.2  Favored   9   7  0.33  10  0.42  molprobity     1  True   
1292  1292  tt0       -62.5   -44.1  Favored   8   9  0.37  12  0.31  molprobity     1  True   
1293  1293  tp10      -61.6   -37.5  Favored   6   9  0.32  12  0.39  molprobity     1  True   
1294  1294  mmm180    -64.3   -40.1  Favored  13  11  1.05  14  0.41  molprobity     1  True   
1295  1295  mt-30     -72.7    -4.6  Favored   8   9  0.36  12  0.24  molprobity     1  True   
1296  1296  m-20      -87.4   -42.6  Favored   6   8  0.32  11  0.32  molprobity     1  True   
1297  1297  mmm       -76.8   -66.9  Allowed   9   8  0.39  10  0.31  molprobity     1  True   
1298  1298  m-20      -71.5   -14.3  Favored   4   8  0.36  11  0.57  molprobity     1  True   
1299  1299  t70        74.5   -68.3  Allowed   4   8  0.38  11  0.60  molprobity     1  True   
1300  1300  ?        -136.1    36.8  Allowed   3   4  0.40   5  0.17  molprobity     1  True   
1301  1301  ?        -102.8   152.7  Favored   5   5  0.48   8  0.48  molprobity     1  True   
1302  1302  Cg_endo   -68.2   129.2  Favored   7   8  0.38  11  0.18  molprobity     1  True   
1303  1303  t         -79.4   135.8  Favored   9   7  0.28  10  0.43  molprobity     1  True   
1304  1304  OUTLIER   -88.3   135.7  Favored  13   9  0.34  11  0.32  molprobity     1  True   
1305  1305  m         -55.1   -31.3  Favored   7   7  0.61  10  0.45  molprobity     1  True   
1306  1306  mpt_?     -60.5   -54.1  Favored  13  11  1.28  14  0.66  molprobity     1  True   
1307  1307  m-20      -57.8   -37.5  Favored   4   8  0.31  11  0.41  molprobity     1  True   
1308  1308  mt        -66.9   -49.2  Favored  11   8  0.29  11  0.39  molprobity     1  True   
1309  1309  ?         -60.1   -34.9  Favored   5   5  0.37   7  0.30  molprobity     1  True   
1310  1310  t70       -66.1   -51.9  Favored   4   8  0.30  11  0.39  molprobity     1  True   
1311  1311  ?         -71.0   -35.8  Favored   5   5  0.41   7  0.27  molprobity     1  True   
1312  1312  ?         -80.2   -33.7  Favored   5   5  0.43   7  0.37  molprobity     1  True   
1313  1313  ?          88.4    -0.1  Favored   3   4  0.58   5  0.21  molprobity     1  True   
1314  1314  mt        -85.1   160.0  Favored  11   8  0.39  11  0.12  molprobity     1  True   
1315  1315  t         -79.7   157.4  Favored   5   6  0.48   8  0.29  molprobity     1  True   
1316  1316  mm        -52.0   -52.4  Favored  11   8  0.38  11  0.43  molprobity     1  True   
1317  1317  p90       -58.3   -44.4  Favored   9  13  0.44  18  0.31  molprobity     1  True   
1318  1318  tt0       -62.1   -47.1  Favored   8   9  0.35  12  0.40  molprobity     1  True   
1319  1319  t         -60.0   -51.5  Favored   9   7  0.26  10  0.39  molprobity     1  True   
1320  1320  ptm180    -62.9   -26.1  Favored  13  11  1.22  14  0.48  molprobity     1  True   
1321  1321  mt        -66.0   -51.5  Favored  11   8  0.36  11  0.15  molprobity     1  True   
1322  1322  m-85      -65.6   -39.6  Favored   9  13  0.37  18  0.26  molprobity     1  True   
1323  1323  mt        -58.2   -41.7  Favored  11   8  0.41  11  0.34  molprobity     1  True   
1324  1324  tt0       -60.6   -44.0  Favored   6   9  0.24  12  0.45  molprobity     1  True   
1325  1325  mt-30     -60.4   -38.0  Favored   8   9  0.35  12  0.26  molprobity     1  True   
1326  1326  mt        -63.8   -32.8  Favored  11   8  0.39  11  0.22  molprobity     1  True   
1327  1327  t60       -70.6   -41.4  Favored   7  11  0.30  15  0.34  molprobity     1  True   
1328  1328  t70       -56.1   -42.7  Favored   4   8  0.26  11  0.39  molprobity     1  True   
1329  1329  m         -82.1   -15.1  Favored   9   7  0.44  10  0.49  molprobity     1  True   
1330  1330  ?         106.9     8.1  Favored   3   4  0.65   5  0.31  molprobity     1  True   
1331  1331  t         -77.1   -52.6  Favored   9   7  0.40  10  0.49  molprobity     1  True   
1332  1332  mt       -106.4   149.9  Favored  11   8  0.44  11  0.43  molprobity     1  True   
1333  1333  pt-20    -111.1   146.1  Favored   6   9  0.41  12  0.38  molprobity     1  True   
1334  1334  mtmt      -80.9   104.4  Favored  13   9  0.36  11  0.31  molprobity     1  True   
1335  1335  t         -88.0    90.5  Favored   9   7  0.40  10  0.50  molprobity     1  True   
1336  1336  m120     -138.9    89.4  Favored   6   8  0.46  11  0.28  molprobity     ?  False  
1337  1337  ?         -78.4   -58.5  Favored   5   5  0.42   7  0.39  molprobity     ?  False  
1338  1338  ?        -100.3  -168.6  Favored   3   4  0.57   5  0.31  molprobity     ?  False  
1339  1339  tppt?     -98.1   135.3  Favored  13   9  0.37  11  0.30  molprobity     ?  False  
1340  1340  ?          85.2    27.4  Favored   3   4  0.37   5  0.31  molprobity     ?  False  
1341  1341  m        -106.6   153.2  Favored   9   7  0.46  11  0.56  molprobity     ?  False  
1342  1342  Cg_endo   -76.7   162.2  Favored   7   8  0.34  11  0.35  molprobity     ?  False  
1343  1343  ?         -74.7   103.5  Allowed   3   4  0.45   5  0.09  molprobity     ?  False  
1344  1344  mt       -100.0   139.1  Favored  11   8  0.38  11  0.20  molprobity     1  True   
1345  1345  m95      -121.5   139.1  Favored  10  16  0.24  23  0.23  molprobity     1  True   
1346  1346  ttt180   -136.4   128.1  Favored  13  11  1.11  14  0.44  molprobity     1  True   
1347  1347  pp        -79.3   139.0  Favored  11   8  0.46  11  0.47  molprobity     1  True   
1348  1348  pt?      -124.6    11.5  Favored  11   8  0.49  11  0.27  molprobity     1  True   
1349  1349  tt0           ?       ?  ?         6   8  0.64   9  0.52  molprobity     ?  False  
1350  1350  mtp           ?       ?  ?        11   8  0.61  10  0.35  molprobity     ?  False  
1351  1351  m          56.6    18.9  Favored   5   6  0.61   8  0.32  molprobity     ?  False  
1352  1352  tt0        58.7    27.0  Favored   6   9  0.52  12  0.54  molprobity     ?  False  
1353  1353  p         -50.2   -57.6  Favored   5   6  0.52   8  0.40  molprobity     ?  False  
1354  1354  mm        -49.6   -41.3  Favored  11   8  0.43  11  0.43  molprobity     1  True   
1355  1355  t         -62.5   -57.8  Favored   9   7  0.37  10  0.38  molprobity     1  True   
1356  1356  m         -63.4   -34.4  Favored   7   7  0.51  10  0.49  molprobity     1  True   
1357  1357  tptt      -56.2   -53.1  Favored  13   9  0.32  11  0.28  molprobity     1  True   
1358  1358  mt        -59.1   -47.3  Favored  11   8  0.31  11  0.36  molprobity     1  True   
1359  1359  mt        -60.4   -43.2  Favored  11   8  0.39  11  0.35  molprobity     1  True   
1360  1360  p         -60.6   -36.9  Favored   5   6  0.54   8  0.26  molprobity     1  True   
1361  1361  mt        -64.3   -40.7  Favored  11   8  0.31  11  0.39  molprobity     1  True   
1362  1362  t         -61.6   -52.1  Favored   9   7  0.37  10  0.36  molprobity     1  True   
1363  1363  tp60      -59.4   -40.8  Favored   8   9  0.44  12  0.35  molprobity     1  True   
1364  1364  tp10      -47.8   -56.0  Favored   6   9  0.49  12  0.55  molprobity     1  True   
1365  1365  mmp_?     -63.1   -37.6  Favored  13  11  1.04  14  0.32  molprobity     1  True   
1366  1366  mt-30     -79.6   -14.0  Favored   8   9  0.37  12  0.29  molprobity     1  True   
1367  1367  m-20      -73.1   -36.0  Favored   6   8  0.36  11  0.32  molprobity     1  True   
1368  1368  mmt       -67.2   -58.8  Favored   9   8  0.32  10  0.26  molprobity     1  True   
1369  1369  m-20     -124.6   104.1  Favored   4   8  0.28  11  0.37  molprobity     1  True   
1370  1370  p30       -61.4   -14.4  Favored   4   8  0.39  11  0.53  molprobity     1  True   
1371  1371  ?        -117.3    15.1  Favored   3   4  0.52   5  0.18  molprobity     1  True   
1372  1372  ?        -104.5   128.5  Favored   5   5  0.47   8  0.52  molprobity     1  True   
1373  1373  Cg_endo   -71.4   135.4  Favored   7   8  0.42  11  0.25  molprobity     1  True   
1374  1374  t         -80.4   139.9  Favored   9   7  0.34  10  0.43  molprobity     1  True   
1375  1375  mptt      -91.6   130.0  Favored  13   9  0.37  11  0.30  molprobity     1  True   
1376  1376  m         -47.0   -34.5  Favored   7   7  0.60  10  0.52  molprobity     1  True   
1377  1377  mtt180    -60.1   -49.3  Favored  13  11  1.11  14  0.34  molprobity     1  True   
1378  1378  t70       -56.2   -49.5  Favored   4   8  0.37  11  0.44  molprobity     1  True   
1379  1379  mt        -59.1   -48.4  Favored  11   8  0.27  11  0.46  molprobity     1  True   
1380  1380  ?         -57.7   -52.2  Favored   5   5  0.32   7  0.25  molprobity     1  True   
1381  1381  t70       -65.3   -42.0  Favored   4   8  0.27  11  0.43  molprobity     1  True   
1382  1382  ?         -66.9   -39.7  Favored   5   5  0.40   7  0.23  molprobity     1  True   
1383  1383  ?         -81.0   -20.8  Favored   5   5  0.41   7  0.29  molprobity     1  True   
1384  1384  ?          83.5    32.8  Favored   3   4  0.36   5  0.26  molprobity     1  True   
1385  1385  mt       -122.2   161.7  Favored  11   8  0.40  11  0.22  molprobity     1  True   
1386  1386  m         -82.8   152.1  Favored   5   6  0.51   8  0.24  molprobity     1  True   
1387  1387  mm        -50.6   -46.0  Favored  11   8  0.42  11  0.42  molprobity     1  True   
1388  1388  t80       -57.9   -52.1  Favored   9  13  0.40  18  0.29  molprobity     1  True   
1389  1389  tp-100    -58.5   -46.5  Favored   8   9  0.38  12  0.36  molprobity     1  True   
1390  1390  t         -61.5   -42.2  Favored   9   7  0.29  10  0.30  molprobity     1  True   
1391  1391  mtp180    -55.0   -39.6  Favored  13  11  1.22  14  0.47  molprobity     1  True   
1392  1392  mt        -63.6   -52.5  Favored  11   8  0.36  11  0.15  molprobity     1  True   
1393  1393  m-85      -59.6   -50.2  Favored   9  13  0.38  18  0.27  molprobity     1  True   
1394  1394  mt        -57.5   -44.0  Favored  11   8  0.40  11  0.20  molprobity     1  True   
1395  1395  tt0       -59.1   -50.4  Favored   6   9  0.32  12  0.32  molprobity     1  True   
1396  1396  mt-30     -54.9   -44.5  Favored   8   9  0.35  12  0.28  molprobity     1  True   
1397  1397  mt        -59.5   -29.7  Favored  11   8  0.38  11  0.21  molprobity     1  True   
1398  1398  t60       -72.5   -46.5  Favored   7  11  0.26  15  0.19  molprobity     1  True   
1399  1399  m-20      -70.4   -16.9  Favored   4   8  0.32  11  0.40  molprobity     1  True   
1400  1400  m         -99.0     4.6  Favored   9   7  0.47  10  0.41  molprobity     1  True   
1401  1401  ?          83.4    31.4  Favored   3   4  0.65   5  0.30  molprobity     1  True   
1402  1402  t        -105.8   -54.6  Favored   9   7  0.47  10  0.48  molprobity     1  True   
1403  1403  mt        -99.2   162.9  Favored  11   8  0.44  11  0.45  molprobity     1  True   
1404  1404  tp10     -125.0   149.6  Favored   6   9  0.37  12  0.39  molprobity     1  True   
1405  1405  pttt      -79.0   129.3  Favored  13   9  0.49  11  0.40  molprobity     1  True   
1406  1406  t        -140.1   115.8  Favored   9   7  0.40  10  0.58  molprobity     1  True   
1407  1407  t30        56.5    88.8  OUTLIER   6   8  0.47  11  0.34  molprobity     ?  False  
1408  1408  ?        -136.5   152.8  Favored   5   5  0.39   7  0.31  molprobity     ?  False  
1409  1409  ?         134.3  -103.2  Allowed   3   4  0.46   5  0.15  molprobity     ?  False  
1410  1410  OUTLIER  -104.8   126.7  Favored  13   9  0.52  11  0.43  molprobity     ?  False  
1411  1411  ?          54.5    49.0  Favored   3   4  0.45   5  0.15  molprobity     ?  False  
1412  1412  m        -117.0   140.1  Favored   9   7  0.43  11  0.60  molprobity     ?  False  
1413  1413  Cg_endo   -83.6    -3.5  Favored   7   8  0.39  11  0.28  molprobity     ?  False  
1414  1414  ?          73.9   103.0  OUTLIER   3   4  0.46   5  0.08  molprobity     ?  False  
1415  1415  mt       -107.6   133.1  Favored  11   8  0.34  11  0.22  molprobity     1  True   
1416  1416  m95      -126.4   135.9  Favored  10  16  0.27  23  0.37  molprobity     1  True   
1417  1417  mtp180   -113.2   176.2  Favored  13  11  1.26  14  0.44  molprobity     1  True   
1418  1418  pp       -127.1   149.7  Favored  11   8  0.49  11  0.45  molprobity     1  True   
1419  1419  pt?      -121.6    -6.0  Favored  11   8  0.46  11  0.42  molprobity     1  True   
1420  1420  mt-10         ?       ?  ?         6   8  0.68   9  0.45  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     3  O      1  0.48  2.47  
  2     5  N      1  0.48  2.47  
  3    26  N      2  0.51  2.21  
  4    26  HD2    2  0.51  2.21  
  5    39  O      3  0.44  2.12  
  6    43  HG     3  0.44  2.12  
  7    70  HD23   4  0.43  2.28  
  8    70  N      4  0.43  2.28  
  9    76  H      5  0.41  1.76  
 10    76  HD12   5  0.41  1.76  
 11    76  HD12   6  0.40  2.31  
 12    76  N      6  0.40  2.31  
 13    79  O      7  0.41  2.16  
 14    83  HG13   7  0.41  2.16  
 15    86  O      8  0.44  2.12  
 16    90  HG2    8  0.44  2.12  
 17   112  O      9  0.45  2.12  
 18   116  HG     9  0.45  2.12  
 19   143  SD    10  0.44  2.96  
 20   143  C     10  0.44  2.96  
 21   158  HA    11  0.40  1.93  
 22   161  HG2   11  0.40  1.93  
 23   168  N     12  0.54  2.17  
 24   168  HD2   12  0.54  2.17  
 25   181  O     13  0.42  2.15  
 26   185  HG    13  0.42  2.15  
 27   226  HG12  14  0.48  2.24  
 28   226  HG12  15  0.42  1.74  
 29   229  HA    16  0.46  2.26  
 30   229  NE    16  0.46  2.26  
 31   230  NE2   14  0.48  2.24  
 32   230  HE21  15  0.42  1.74  
 33   269  N     17  0.47  2.24  
 34   269  HD3   17  0.47  2.24  
 35   292  O     18  0.45  2.11  
 36   296  HG13  18  0.45  2.11  
 37   310  N     19  0.40  2.32  
 38   310  HD2   19  0.40  2.32  
 39   379  HB2   20  0.40  1.94  
 40   400  HD13  21  0.45  2.27  
 41   421  HB3   20  0.40  1.94  
 42   422  NE1   21  0.45  2.27  
 43   427  SD    22  0.55  2.72  
 44   427  N     22  0.55  2.72  
 45   431  HD12  23  0.49  1.67  
 46   431  H     23  0.49  1.67  
 47   452  N     24  0.45  2.27  
 48   452  HD2   24  0.45  2.27  
 49   483  O     25  0.47  2.09  
 50   484  HB2   25  0.47  2.09  
 51   496  HD23  26  0.46  2.26  
 52   496  N     26  0.46  2.26  
 53   498  SD    27  0.56  2.76  
 54   498  N     27  0.56  2.76  
 55   511  NE2   28  0.41  2.13  
 56   514  OE1   29  0.41  2.15  
 57   515  HD22  30  0.42  2.12  
 58   515  N     30  0.42  2.12  
 59   515  HD21  28  0.41  2.13  
 60   523  HD2   31  0.40  2.31  
 61   523  N     31  0.40  2.31  
 62   565  HG3   29  0.41  2.15  
 63   584  NH1   32  0.54  2.79  
 64   587  SD    32  0.54  2.79  
 65   594  N     33  0.50  2.21  
 66   594  HD2   33  0.50  2.21  
 67   607  O     34  0.45  2.12  
 68   611  HG    34  0.45  2.12  
 69   617  HA    35  0.41  2.16  
 70   622  O     35  0.41  2.16  
 71   640  SD    36  0.43  2.82  
 72   640  N     36  0.43  2.82  
 73   644  HG12  37  0.44  1.90  
 74   675  HD11  37  0.44  1.90  
 75   682  O     38  0.44  2.13  
 76   686  HG3   38  0.44  2.13  
 77   693  HD23  39  0.49  1.84  
 78   696  O     40  0.51  2.06  
 79   697  HB2   40  0.51  2.06  
 80   708  HB3   39  0.49  1.84  
 81   709  HD23  41  0.43  2.28  
 82   709  N     41  0.43  2.28  
 83   736  N     42  0.58  2.14  
 84   736  HD2   42  0.58  2.14  
 85   786  HD11  43  0.41  1.92  
 86   798  O     44  0.49  2.46  
 87   802  N     44  0.49  2.46  
 88   817  HD11  43  0.41  1.92  
 89   851  HD23  45  0.43  2.29  
 90   851  N     45  0.43  2.29  
 91   860  O     46  0.41  2.15  
 92   864  HG13  46  0.41  2.15  
 93   911  HA    47  0.61  1.71  
 94   915  HG21  47  0.61  1.71  
 95   931  O     48  0.40  2.16  
 96   935  O     49  0.43  2.14  
 97   935  HG13  48  0.40  2.16  
 98   939  HG2   49  0.43  2.14  
 99   949  N     50  0.53  2.17  
100   949  HD2   50  0.53  2.17  
101  1002  O     51  0.43  2.13  
102  1006  HG13  51  0.43  2.13  
103  1020  N     52  0.48  2.24  
104  1020  HD2   52  0.48  2.24  
105  1037  O     53  0.43  2.13  
106  1041  HG2   53  0.43  2.13  
107  1063  O     54  0.42  2.14  
108  1063  HD12  54  0.42  2.14  
109  1078  HG13  55  0.44  1.90  
110  1082  HA    56  0.45  1.89  
111  1085  HB3   57  0.52  1.81  
112  1088  HB2   57  0.52  1.81  
113  1088  HB3   56  0.45  1.89  
114  1090  HG21  55  0.44  1.90  
115  1104  O     58  0.40  2.17  
116  1108  HG    58  0.40  2.17  
117  1121  HZ2   59  0.45  1.71  
118  1121  HB3   59  0.45  1.71  
119  1121  HB3   60  0.43  2.29  
120  1121  NZ    60  0.43  2.29  
121  1137  SD    61  0.51  2.44  
122  1142  HG23  61  0.51  2.44  
123  1153  HA    62  0.54  1.78  
124  1156  HB2   63  0.51  1.83  
125  1159  HB3   62  0.54  1.78  
126  1159  HB2   63  0.51  1.83  
127  1162  N     64  0.45  2.27  
128  1162  N     65  0.40  2.85  
129  1162  HD2   64  0.45  2.27  
130  1162  CD    65  0.40  2.85  
131  1181  HD13  66  0.42  2.30  
132  1203  NE1   66  0.42  2.30  
133  1215  O     67  0.40  2.15  
134  1219  HG13  67  0.40  2.15  
135  1233  N     68  0.42  2.28  
136  1233  HD2   68  0.42  2.28  
137  1235  NH1   69  0.42  2.30  
138  1245  HG13  69  0.42  2.30  
139  1249  O     70  0.49  2.07  
140  1253  HG2   70  0.49  2.07  
141  1286  O     71  0.41  2.16  
142  1290  HG13  71  0.41  2.16  
143  1295  O     72  0.41  2.15  
144  1299  HA    72  0.41  2.15  
145  1304  N     73  0.48  2.24  
146  1304  HD2   73  0.48  2.24  
147  1317  O     74  0.42  2.13  
148  1321  HG    74  0.42  2.13  
149  1333  HG2   75  0.42  2.14  
150  1335  HB    76  0.41  1.91  
151  1336  HD21  77  0.50  1.67  
152  1343  HA2   77  0.50  1.67  
153  1344  HB2   76  0.41  1.91  
154  1346  O     75  0.42  2.14  
155  1375  N     78  0.44  2.27  
156  1375  HD2   78  0.44  2.27  
157  1410  H     79  0.56  1.58  
158  1410  HD2   79  0.56  1.58  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2  ?     
 2  2  ?     
 3  2  ?     
 4  2  ?     
 5  2  ?     
 6  2  True  
 7  1  ?     
 8  1  ?     
 9  1  ?     
10  1  ?     
11  2  ?     
12  3  ?     
13  1  ?     
14  1  ?     
15  1  ?     
16  1  ?     
17  3  True  
18  1  ?     
19  1  ?     
20  1  True  
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      1
_pdbx_vrpt_cyrange_domain.number_of_residues  58
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.620
_pdbx_vrpt_cyrange_domain.medoid_model        13
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.759
_pdbx_vrpt_cyrange_domain.residue_string      "A:5-A:57, A:66-A:70"
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_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           906
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           906
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            906
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  SER   2  0.097  
 2  A  GLU   3  0.095  
 3  A  SER   4  0.072  
 4  A  ILE   5  0.046  
 5  A  VAL   6  0.021  
 6  A  THR   7  0.016  
 7  A  LYS   8  0.015  
 8  A  ILE   9  0.015  
 9  A  ILE  10  0.014  
10  A  SER  11  0.015  
11  A  ILE  12  0.015  
12  A  VAL  13  0.015  
13  A  GLN  14  0.016  
14  A  GLU  15  0.017  
15  A  ARG  16  0.020  
16  A  GLN  17  0.025  
17  A  ASN  18  0.032  
18  A  MET  19  0.041  
19  A  ASP  20  0.047  
20  A  ASP  21  0.052  
21  A  GLY  22  0.054  
22  A  ALA  23  0.054  
23  A  PRO  24  0.047  
24  A  VAL  25  0.035  
25  A  LYS  26  0.024  
26  A  THR  27  0.016  
27  A  ARG  28  0.015  
28  A  ASP  29  0.014  
29  A  ILE  30  0.015  
30  A  ALA  31  0.015  
31  A  ASP  32  0.019  
32  A  ALA  33  0.029  
33  A  ALA  34  0.034  
34  A  GLY  35  0.036  
35  A  LEU  36  0.029  
36  A  SER  37  0.027  
37  A  ILE  38  0.023  
38  A  TYR  39  0.021  
39  A  GLN  40  0.018  
40  A  VAL  41  0.017  
41  A  ARG  42  0.016  
42  A  LEU  43  0.015  
43  A  TYR  44  0.015  
44  A  LEU  45  0.016  
45  A  GLU  46  0.018  
46  A  GLN  47  0.018  
47  A  LEU  48  0.017  
48  A  HIS  49  0.015  
49  A  ASP  50  0.017  
50  A  VAL  51  0.028  
51  A  GLY  52  0.031  
52  A  VAL  53  0.030  
53  A  LEU  54  0.020  
54  A  GLU  55  0.026  
55  A  LYS  56  0.043  
56  A  VAL  57  0.068  
57  A  ASN  58  0.114  
58  A  ALA  59  0.164  
59  A  GLY  60  0.194  
60  A  LYS  61  0.168  
61  A  GLY  62  0.126  
62  A  VAL  63  0.087  
63  A  PRO  64  0.069  
64  A  GLY  65  0.046  
65  A  LEU  66  0.030  
66  A  TRP  67  0.022  
67  A  ARG  68  0.026  
68  A  LEU  69  0.050  
69  A  LEU  70  0.093  
70  A  GLU  71  0.121  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        LEU
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    45
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  HB3
_pdbx_vrpt_chemical_shift_outlier.value          -0.659
_pdbx_vrpt_chemical_shift_outlier.zscore         -6.130
_pdbx_vrpt_chemical_shift_outlier.prediction     -0.26~3.31
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.15  -0.21  69  
2  CA  0.50  0.19  -0.41  70  
3  CB  0.50  0.12   0.13  64  
4  N   0.50  0.29   0.21  66  
#
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  15   15  stereomethyl  stereomethyl  
 2  790  55  845  overall       Total         
 3  291   0  291  backbone      Total         
 4  469  47  516  sidechain     Total         
 5   30   8   38  aromatic      Total         
 6  450  24  474  overall       H             
 7  118   0  118  backbone      H             
 8  317  21  338  sidechain     H             
 9   15   3   18  aromatic      H             
10  275  16  291  overall       C             
11  116   0  116  backbone      C             
12  145  13  158  sidechain     C             
13   14   3   17  aromatic      C             
14   65  15   80  overall       N             
15   57   0   57  backbone      N             
16    7  13   20  sidechain     N             
17    1   2    3  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0  16   16  stereomethyl  stereomethyl  
 2  906  78  984  overall       Total         
 3  347  10  357  backbone      Total         
 4  529  60  589  sidechain     Total         
 5   30   8   38  aromatic      Total         
 6  514  35  549  overall       H             
 7  142   4  146  backbone      H             
 8  357  28  385  sidechain     H             
 9   15   3   18  aromatic      H             
10  317  24  341  overall       C             
11  139   3  142  backbone      C             
12  164  18  182  sidechain     C             
13   14   3   17  aromatic      C             
14   75  19   94  overall       N             
15   66   3   69  backbone      N             
16    8  14   22  sidechain     N             
17    1   2    3  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    1276  
 2  "Intra-residue (|i-j|=0)"                       395  
 3  "Sequential (|i-j|=1)"                          309  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            228  
 5  "Long range (|i-j|>=5)"                         292  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                 52  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                92  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             17.8  
12  "Number of long range restraints per residue"   3.9  
#
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                  395   31.0  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone       0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    301   23.6  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    94    7.4  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  309   24.2  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone      69    5.4  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    211   16.5  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain    29    2.3  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  228   17.9  0  0.0  0.0  3  0.2  1.3  
10  MediumRange    BackboneBackbone      65    5.1  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    104    8.2  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain    59    4.6  0  0.0  0.0  3  0.2  5.1  
13  LongRange      all                  292   22.9  0  0.0  0.0  2  0.2  0.7  
14  LongRange      BackboneBackbone      13    1.0  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     99    7.8  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   180   14.1  0  0.0  0.0  2  0.2  1.1  
17  InterChain     all                    0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone       0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain      0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                   52    4.1  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                 1276  100.0  0  0.0  0.0  5  0.4  0.4  
24  Total          BackboneBackbone     147   11.5  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    715   56.0  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain   362   28.4  0  0.0  0.0  5  0.4  1.4  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.21  0.21  0.21  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.11  0.11  0.11  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.15  0.15  0.15  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.17  0.17  0.17  0.00  
19  19  0.11  0.11  0.11  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        1  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          1  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        1  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         1  
 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        1  
106  18  long          0  
107  18  interchain    0  
108  18  total         1  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          1  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        3  
  4   1  long          2  
  5   1  interchain    0  
  6   1  total         5  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2   0.2   
2  0.2-0.5  0.2   0.1   
3  >0.5     None  None  
#
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   343  1   485   489  HB1  HB    0.21  
 2   343  1   485   489  HB2  HB    0.21  
 3   343  1   485   489  HB3  HB    0.21  
 4   485  1  1266  1270  HB1  HG11  0.17  
 5   485  1  1266  1270  HB1  HG12  0.17  
 6   485  1  1266  1270  HB1  HG13  0.17  
 7   485  1  1266  1270  HB2  HG11  0.17  
 8   485  1  1266  1270  HB2  HG12  0.17  
 9   485  1  1266  1270  HB2  HG13  0.17  
10   485  1  1266  1270  HB3  HG11  0.17  
11   485  1  1266  1270  HB3  HG12  0.17  
12   485  1  1266  1270  HB3  HG13  0.17  
13   863  1  1008  1012  HG2  HD22  0.15  
14   863  1  1008  1012  HG3  HD22  0.15  
15   329  1  1333  1346  HB2  HB2   0.11  
16   329  1  1333  1346  HB3  HB2   0.11  
17  1196  1   694   707  HG2  HG2   0.11  
18  1196  1   694   707  HG2  HG3   0.11  
19  1196  1   694   707  HG3  HG2   0.11  
20  1196  1   694   707  HG3  HG3   0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI    46   50.0  0  0.0  0.0  3  3.3  6.5  
2  PSI    46   50.0  0  0.0  0.0  0  0.0  0.0  
3  Total  92  100.0  0  0.0  0.0  3  3.3  3.3  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  1.10  1.10  1.10  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  1.30  1.30  1.30  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  1.60  1.60  1.60  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  1.10  1.10  1.10  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  1.70  1.55  1.55  0.15  
15  15  0.00  0.00  0.00  0.00  
16  16  1.40  1.40  1.40  0.00  
17  17  2.40  2.40  2.40  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  1.30  1.30  1.30  0.00  
20  20  2.20  2.20  2.20  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    0  
 2   1  PSI    0  
 3   1  Total  0  
 4   2  PHI    0  
 5   2  PSI    0  
 6   2  Total  0  
 7   3  PHI    1  
 8   3  PSI    0  
 9   3  Total  1  
10   4  PHI    0  
11   4  PSI    0  
12   4  Total  0  
13   5  PHI    0  
14   5  PSI    0  
15   5  Total  0  
16   6  PHI    1  
17   6  PSI    0  
18   6  Total  1  
19   7  PHI    0  
20   7  PSI    0  
21   7  Total  0  
22   8  PHI    0  
23   8  PSI    0  
24   8  Total  0  
25   9  PHI    1  
26   9  PSI    0  
27   9  Total  1  
28  10  PHI    0  
29  10  PSI    0  
30  10  Total  0  
31  11  PHI    1  
32  11  PSI    0  
33  11  Total  1  
34  12  PHI    0  
35  12  PSI    0  
36  12  Total  0  
37  13  PHI    0  
38  13  PSI    0  
39  13  Total  0  
40  14  PHI    2  
41  14  PSI    0  
42  14  Total  2  
43  15  PHI    0  
44  15  PSI    0  
45  15  Total  0  
46  16  PHI    1  
47  16  PSI    0  
48  16  Total  1  
49  17  PHI    1  
50  17  PSI    0  
51  17  Total  1  
52  18  PHI    0  
53  18  PSI    0  
54  18  Total  0  
55  19  PHI    1  
56  19  PSI    0  
57  19  Total  1  
58  20  PHI    1  
59  20  PSI    0  
60  20  Total  1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    1  
 2   1  PSI    0  
 3   1  Total  1  
 4   2  PHI    1  
 5   2  PSI    0  
 6   2  Total  1  
 7   3  PHI    0  
 8   3  PSI    0  
 9   3  Total  0  
10   4  PHI    0  
11   4  PSI    0  
12   4  Total  0  
13   5  PHI    0  
14   5  PSI    0  
15   5  Total  0  
16   6  PHI    0  
17   6  PSI    0  
18   6  Total  0  
19   7  PHI    1  
20   7  PSI    0  
21   7  Total  1  
22   8  PHI    0  
23   8  PSI    0  
24   8  Total  0  
25   9  PHI    0  
26   9  PSI    0  
27   9  Total  0  
28  10  PHI    0  
29  10  PSI    0  
30  10  Total  0  
31  11  PHI    0  
32  11  PSI    0  
33  11  Total  0  
34  12  PHI    0  
35  12  PSI    0  
36  12  Total  0  
37  13  PHI    0  
38  13  PSI    0  
39  13  Total  0  
40  14  PHI    0  
41  14  PSI    0  
42  14  Total  0  
43  15  PHI    0  
44  15  PSI    0  
45  15  Total  0  
46  16  PHI    0  
47  16  PSI    0  
48  16  Total  0  
49  17  PHI    0  
50  17  PSI    0  
51  17  Total  0  
52  18  PHI    0  
53  18  PSI    0  
54  18  Total  0  
55  19  PHI    0  
56  19  PSI    0  
57  19  Total  0  
58  20  PHI    0  
59  20  PSI    0  
60  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   2.4   0.5   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
1  89  1  .  A  24  PRO  ?     1  A  24  C  A  .  25  VAL  25  A  1  ?     N  .  A  25  VAL  ?     1  A  25  CA  A  .  25  VAL  25  A  1  ?     C  7  1.54  1.40  0.40  
2  87  1  .  A  68  ARG  ?     1  A  68  C  A  .  69  LEU  69  A  1  ?     N  .  A  69  LEU  ?     1  A  69  CA  A  .  69  LEU  69  A  1  ?     C  2  1.80  1.80  0.40  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1  89  1  1160  1161  1161  1161  C  N  CA  C  2.40  
 2  87  1  1417  1418  1418  1418  C  N  CA  C  2.20  
 3  89  1   947   948   948   948  C  N  CA  C  1.70  
 4  89  1   592   593   593   593  C  N  CA  C  1.60  
 5  89  1  1089  1090  1090  1090  C  N  CA  C  1.40  
 6  87  1   991   992   992   992  C  N  CA  C  1.40  
 7  89  1   379   380   380   380  C  N  CA  C  1.30  
 8  89  1  1302  1303  1303  1303  C  N  CA  C  1.30  
 9  89  1   734   735   735   735  C  N  CA  C  1.10  
10  77  1   196   197   197   197  C  N  CA  C  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
