data_2KT1

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2KT1   
BMRB  16681  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2KT1
_pdbx_vrpt_summary.PDB_deposition_date         2010-01-15
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:21:05
_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  "Phosphatidylinositol 3-kinase regulatory subunit beta"
#
_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  81.82  158937  ?     ?     
2  2  1  75.61   12864  ?     ?     
3  1  2  54.40  154571  ?     ?     
4  2  2  85.17   11451  ?     ?     
5  1  3  36.39  154315  ?     ?     
6  2  3  84.36   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A   17.99  
 4  6  3  A   1  1  A   17.99  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A   26.74  
 8  6  3  A   2  1  A   26.74  
 9  3  2  A   3  1  A   11.70  
10  4  2  A   3  1  A   11.70  
11  5  3  A   3  1  A   17.99  
12  6  3  A   3  1  A   17.99  
13  3  2  A   4  1  A   11.70  
14  4  2  A   4  1  A   11.70  
15  5  3  A   4  1  A   39.70  
16  6  3  A   4  1  A   39.70  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A   26.74  
20  6  3  A   5  1  A   26.74  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A   17.99  
24  6  3  A   6  1  A   17.99  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A   26.74  
28  6  3  A   7  1  A   26.74  
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   39.70  
32  6  3  A   8  1  A   39.70  
33  3  2  A   9  1  A   11.70  
34  4  2  A   9  1  A   11.70  
35  5  3  A   9  1  A   39.70  
36  6  3  A   9  1  A   39.70  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A   26.74  
40  6  3  A  10  1  A   26.74  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A    8.81  
44  6  3  A  11  1  A    8.81  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A   39.70  
48  6  3  A  12  1  A   39.70  
49  3  2  A  13  1  A   11.70  
50  4  2  A  13  1  A   11.70  
51  5  3  A  13  1  A   39.70  
52  6  3  A  13  1  A   39.70  
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   17.99  
56  6  3  A  14  1  A   17.99  
57  3  2  A  15  1  A    5.32  
58  4  2  A  15  1  A    5.32  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
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   12.54  
64  6  3  A  16  1  A   12.54  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A   39.70  
68  6  3  A  17  1  A   39.70  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
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   17.99  
76  6  3  A  19  1  A   17.99  
77  3  2  A  20  1  A   11.70  
78  4  2  A  20  1  A   11.70  
79  5  3  A  20  1  A   64.57  
80  6  3  A  20  1  A   64.57  
#
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  0.40  0.61  658  891  
 2   2  1  A  A  0.40  0.61  658  891  
 3   3  1  A  A  0.38  0.61  658  891  
 4   4  1  A  A  0.40  0.61  658  891  
 5   5  1  A  A  0.37  0.60  658  891  
 6   6  1  A  A  0.39  0.60  658  891  
 7   7  1  A  A  0.38  0.61  658  891  
 8   8  1  A  A  0.40  0.61  658  891  
 9   9  1  A  A  0.37  0.61  658  891  
10  10  1  A  A  0.40  0.61  658  891  
11  11  1  A  A  0.39  0.61  658  891  
12  12  1  A  A  0.39  0.61  658  891  
13  13  1  A  A  0.40  0.62  658  891  
14  14  1  A  A  0.38  0.62  658  891  
15  15  1  A  A  0.41  0.61  658  891  
16  16  1  A  A  0.40  0.61  658  891  
17  17  1  A  A  0.37  0.60  658  891  
18  18  1  A  A  0.38  0.60  658  891  
19  19  1  A  A  0.40  0.60  658  891  
20  20  1  A  A  0.41  0.61  658  891  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.07
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.44
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   3.80
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       4.31
_pdbx_vrpt_summary_geometry.clashscore                                 2.55
_pdbx_vrpt_summary_geometry.clashscore_full_length                     2.96
_pdbx_vrpt_summary_geometry.num_H_reduce                               12520
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             13160
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.61
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            17820
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.39
#
_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            11
_pdbx_vrpt_summary_nmr.medoid_model                             18
_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              90.84
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  86.24
#
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  
   2   1  1  A   2  ALA  A   2  .  ?        ?  
   3   1  1  A   3  GLY  A   3  .  ?        ?  
   4   1  1  A   4  PRO  A   4  .  ?        ?  
   5   1  1  A   5  GLU  A   5  .  ?        ?  
   6   1  1  A   6  GLY  A   6  .  ?        ?  
   7   1  1  A   7  PHE  A   7  .  ?        ?  
   8   1  1  A   8  GLN  A   8  .  ?        ?  
   9   1  1  A   9  TYR  A   9  .  ?        ?  
  10   1  1  A  10  ARG  A  10  .  ?        ?  
  11   1  1  A  11  ALA  A  11  .  ?        ?  
  12   1  1  A  12  LEU  A  12  .  ?        ?  
  13   1  1  A  13  TYR  A  13  .  ?        ?  
  14   1  1  A  14  PRO  A  14  .  ?        1  
  15   1  1  A  15  PHE  A  15  .  ?        ?  
  16   1  1  A  16  ARG  A  16  .  ?        ?  
  17   1  1  A  17  ARG  A  17  .  ?        1  
  18   1  1  A  18  GLU  A  18  .  ?        ?  
  19   1  1  A  19  ARG  A  19  .  ?        ?  
  20   1  1  A  20  PRO  A  20  .  ?        ?  
  21   1  1  A  21  GLU  A  21  .  ?        ?  
  22   1  1  A  22  ASP  A  22  .  ?        ?  
  23   1  1  A  23  LEU  A  23  .  ?        ?  
  24   1  1  A  24  GLU  A  24  .  ?        1  
  25   1  1  A  25  LEU  A  25  .  ?        1  
  26   1  1  A  26  LEU  A  26  .  ?        ?  
  27   1  1  A  27  PRO  A  27  .  ?        ?  
  28   1  1  A  28  GLY  A  28  .  ?        ?  
  29   1  1  A  29  ASP  A  29  .  ?        ?  
  30   1  1  A  30  VAL  A  30  .  ?        ?  
  31   1  1  A  31  LEU  A  31  .  ?        ?  
  32   1  1  A  32  VAL  A  32  .  ?        ?  
  33   1  1  A  33  VAL  A  33  .  ?        ?  
  34   1  1  A  34  SER  A  34  .  ?        ?  
  35   1  1  A  35  ARG  A  35  .  ?        ?  
  36   1  1  A  36  ALA  A  36  .  ?        ?  
  37   1  1  A  37  ALA  A  37  .  ?        ?  
  38   1  1  A  38  LEU  A  38  .  ?        ?  
  39   1  1  A  39  GLN  A  39  .  ?        ?  
  40   1  1  A  40  ALA  A  40  .  ?        ?  
  41   1  1  A  41  LEU  A  41  .  ?        ?  
  42   1  1  A  42  GLY  A  42  .  ?        ?  
  43   1  1  A  43  VAL  A  43  .  ?        ?  
  44   1  1  A  44  ALA  A  44  .  ?        ?  
  45   1  1  A  45  GLU  A  45  .  ?        ?  
  46   1  1  A  46  GLY  A  46  .  ?        ?  
  47   1  1  A  47  GLY  A  47  .  ?        ?  
  48   1  1  A  48  GLU  A  48  .  ?        ?  
  49   1  1  A  49  ARG  A  49  .  ?        ?  
  50   1  1  A  50  CYS  A  50  .  ?        ?  
  51   1  1  A  51  PRO  A  51  .  ?        ?  
  52   1  1  A  52  GLN  A  52  .  ?        ?  
  53   1  1  A  53  SER  A  53  .  ?        ?  
  54   1  1  A  54  VAL  A  54  .  ?        ?  
  55   1  1  A  55  GLY  A  55  .  ?        ?  
  56   1  1  A  56  TRP  A  56  .  ?        ?  
  57   1  1  A  57  MET  A  57  .  ?        ?  
  58   1  1  A  58  PRO  A  58  .  ?        ?  
  59   1  1  A  59  GLY  A  59  .  ?        ?  
  60   1  1  A  60  LEU  A  60  .  ?        ?  
  61   1  1  A  61  ASN  A  61  .  ?        ?  
  62   1  1  A  62  GLU  A  62  .  ?        ?  
  63   1  1  A  63  ARG  A  63  .  ?        ?  
  64   1  1  A  64  THR  A  64  .  ?        ?  
  65   1  1  A  65  ARG  A  65  .  ?        ?  
  66   1  1  A  66  GLN  A  66  .  ?        ?  
  67   1  1  A  67  ARG  A  67  .  ?        ?  
  68   1  1  A  68  GLY  A  68  .  ?        ?  
  69   1  1  A  69  ASP  A  69  .  ?        ?  
  70   1  1  A  70  PHE  A  70  .  ?        ?  
  71   1  1  A  71  PRO  A  71  .  ?        ?  
  72   1  1  A  72  GLY  A  72  .  ?        ?  
  73   1  1  A  73  THR  A  73  .  ?        ?  
  74   1  1  A  74  TYR  A  74  .  ?        ?  
  75   1  1  A  75  VAL  A  75  .  ?        ?  
  76   1  1  A  76  GLU  A  76  .  ?        ?  
  77   1  1  A  77  PHE  A  77  .  ?        ?  
  78   1  1  A  78  LEU  A  78  .  ?        ?  
  79   1  1  A  79  GLY  A  79  .  ?        ?  
  80   1  1  A  80  PRO  A  80  .  ?        ?  
  81   1  1  A  81  LEU  A  81  .  ?        ?  
  82   1  1  A  82  GLU  A  82  .  ?        ?  
  83   2  1  A   1  MET  A   1  .  ?        1  
  84   2  1  A   2  ALA  A   2  .  ?        ?  
  85   2  1  A   3  GLY  A   3  .  ?        ?  
  86   2  1  A   4  PRO  A   4  .  ?        ?  
  87   2  1  A   5  GLU  A   5  .  ?        ?  
  88   2  1  A   6  GLY  A   6  .  ?        ?  
  89   2  1  A   7  PHE  A   7  .  ?        ?  
  90   2  1  A   8  GLN  A   8  .  ?        ?  
  91   2  1  A   9  TYR  A   9  .  ?        ?  
  92   2  1  A  10  ARG  A  10  .  ?        ?  
  93   2  1  A  11  ALA  A  11  .  ?        ?  
  94   2  1  A  12  LEU  A  12  .  ?        ?  
  95   2  1  A  13  TYR  A  13  .  ?        ?  
  96   2  1  A  14  PRO  A  14  .  ?        1  
  97   2  1  A  15  PHE  A  15  .  ?        ?  
  98   2  1  A  16  ARG  A  16  .  ?        ?  
  99   2  1  A  17  ARG  A  17  .  ?        1  
 100   2  1  A  18  GLU  A  18  .  ?        1  
 101   2  1  A  19  ARG  A  19  .  ?        1  
 102   2  1  A  20  PRO  A  20  .  ?        ?  
 103   2  1  A  21  GLU  A  21  .  ?        ?  
 104   2  1  A  22  ASP  A  22  .  ?        ?  
 105   2  1  A  23  LEU  A  23  .  ?        ?  
 106   2  1  A  24  GLU  A  24  .  ?        2  
 107   2  1  A  25  LEU  A  25  .  ?        1  
 108   2  1  A  26  LEU  A  26  .  ?        ?  
 109   2  1  A  27  PRO  A  27  .  ?        ?  
 110   2  1  A  28  GLY  A  28  .  ?        ?  
 111   2  1  A  29  ASP  A  29  .  ?        ?  
 112   2  1  A  30  VAL  A  30  .  ?        ?  
 113   2  1  A  31  LEU  A  31  .  ?        ?  
 114   2  1  A  32  VAL  A  32  .  ?        ?  
 115   2  1  A  33  VAL  A  33  .  ?        ?  
 116   2  1  A  34  SER  A  34  .  ?        ?  
 117   2  1  A  35  ARG  A  35  .  ?        ?  
 118   2  1  A  36  ALA  A  36  .  ?        ?  
 119   2  1  A  37  ALA  A  37  .  ?        ?  
 120   2  1  A  38  LEU  A  38  .  ?        ?  
 121   2  1  A  39  GLN  A  39  .  ?        ?  
 122   2  1  A  40  ALA  A  40  .  ?        ?  
 123   2  1  A  41  LEU  A  41  .  ?        1  
 124   2  1  A  42  GLY  A  42  .  ?        ?  
 125   2  1  A  43  VAL  A  43  .  ?        ?  
 126   2  1  A  44  ALA  A  44  .  ?        ?  
 127   2  1  A  45  GLU  A  45  .  ?        ?  
 128   2  1  A  46  GLY  A  46  .  ?        ?  
 129   2  1  A  47  GLY  A  47  .  ?        ?  
 130   2  1  A  48  GLU  A  48  .  ?        ?  
 131   2  1  A  49  ARG  A  49  .  ?        ?  
 132   2  1  A  50  CYS  A  50  .  ?        ?  
 133   2  1  A  51  PRO  A  51  .  ?        ?  
 134   2  1  A  52  GLN  A  52  .  ?        ?  
 135   2  1  A  53  SER  A  53  .  ?        ?  
 136   2  1  A  54  VAL  A  54  .  ?        ?  
 137   2  1  A  55  GLY  A  55  .  ?        ?  
 138   2  1  A  56  TRP  A  56  .  ?        ?  
 139   2  1  A  57  MET  A  57  .  ?        ?  
 140   2  1  A  58  PRO  A  58  .  ?        1  
 141   2  1  A  59  GLY  A  59  .  ?        ?  
 142   2  1  A  60  LEU  A  60  .  ?        ?  
 143   2  1  A  61  ASN  A  61  .  ?        1  
 144   2  1  A  62  GLU  A  62  .  ?        ?  
 145   2  1  A  63  ARG  A  63  .  ?        ?  
 146   2  1  A  64  THR  A  64  .  ?        1  
 147   2  1  A  65  ARG  A  65  .  ?        1  
 148   2  1  A  66  GLN  A  66  .  ?        ?  
 149   2  1  A  67  ARG  A  67  .  ?        ?  
 150   2  1  A  68  GLY  A  68  .  ?        ?  
 151   2  1  A  69  ASP  A  69  .  ?        ?  
 152   2  1  A  70  PHE  A  70  .  ?        ?  
 153   2  1  A  71  PRO  A  71  .  ?        ?  
 154   2  1  A  72  GLY  A  72  .  ?        ?  
 155   2  1  A  73  THR  A  73  .  ?        ?  
 156   2  1  A  74  TYR  A  74  .  ?        ?  
 157   2  1  A  75  VAL  A  75  .  ?        ?  
 158   2  1  A  76  GLU  A  76  .  ?        ?  
 159   2  1  A  77  PHE  A  77  .  ?        ?  
 160   2  1  A  78  LEU  A  78  .  ?        ?  
 161   2  1  A  79  GLY  A  79  .  ?        ?  
 162   2  1  A  80  PRO  A  80  .  ?        ?  
 163   2  1  A  81  LEU  A  81  .  ?        ?  
 164   2  1  A  82  GLU  A  82  .  ?        1  
 165   3  1  A   1  MET  A   1  .  ?        ?  
 166   3  1  A   2  ALA  A   2  .  ?        ?  
 167   3  1  A   3  GLY  A   3  .  ?        ?  
 168   3  1  A   4  PRO  A   4  .  ?        ?  
 169   3  1  A   5  GLU  A   5  .  ?        ?  
 170   3  1  A   6  GLY  A   6  .  ?        ?  
 171   3  1  A   7  PHE  A   7  .  ?        ?  
 172   3  1  A   8  GLN  A   8  .  ?        ?  
 173   3  1  A   9  TYR  A   9  .  ?        ?  
 174   3  1  A  10  ARG  A  10  .  ?        ?  
 175   3  1  A  11  ALA  A  11  .  ?        ?  
 176   3  1  A  12  LEU  A  12  .  ?        ?  
 177   3  1  A  13  TYR  A  13  .  ?        ?  
 178   3  1  A  14  PRO  A  14  .  ?        ?  
 179   3  1  A  15  PHE  A  15  .  ?        1  
 180   3  1  A  16  ARG  A  16  .  ?        ?  
 181   3  1  A  17  ARG  A  17  .  ?        ?  
 182   3  1  A  18  GLU  A  18  .  ?        ?  
 183   3  1  A  19  ARG  A  19  .  ?        ?  
 184   3  1  A  20  PRO  A  20  .  ?        ?  
 185   3  1  A  21  GLU  A  21  .  ?        ?  
 186   3  1  A  22  ASP  A  22  .  ?        ?  
 187   3  1  A  23  LEU  A  23  .  ?        ?  
 188   3  1  A  24  GLU  A  24  .  ?        ?  
 189   3  1  A  25  LEU  A  25  .  ?        1  
 190   3  1  A  26  LEU  A  26  .  ?        1  
 191   3  1  A  27  PRO  A  27  .  ?        ?  
 192   3  1  A  28  GLY  A  28  .  ?        ?  
 193   3  1  A  29  ASP  A  29  .  ?        ?  
 194   3  1  A  30  VAL  A  30  .  ?        ?  
 195   3  1  A  31  LEU  A  31  .  ?        2  
 196   3  1  A  32  VAL  A  32  .  ?        ?  
 197   3  1  A  33  VAL  A  33  .  ?        ?  
 198   3  1  A  34  SER  A  34  .  ?        ?  
 199   3  1  A  35  ARG  A  35  .  ?        ?  
 200   3  1  A  36  ALA  A  36  .  ?        ?  
 201   3  1  A  37  ALA  A  37  .  ?        ?  
 202   3  1  A  38  LEU  A  38  .  ?        ?  
 203   3  1  A  39  GLN  A  39  .  ?        ?  
 204   3  1  A  40  ALA  A  40  .  ?        ?  
 205   3  1  A  41  LEU  A  41  .  ?        ?  
 206   3  1  A  42  GLY  A  42  .  ?        ?  
 207   3  1  A  43  VAL  A  43  .  ?        ?  
 208   3  1  A  44  ALA  A  44  .  ?        ?  
 209   3  1  A  45  GLU  A  45  .  ?        ?  
 210   3  1  A  46  GLY  A  46  .  ?        ?  
 211   3  1  A  47  GLY  A  47  .  ?        ?  
 212   3  1  A  48  GLU  A  48  .  ?        ?  
 213   3  1  A  49  ARG  A  49  .  ?        ?  
 214   3  1  A  50  CYS  A  50  .  ?        ?  
 215   3  1  A  51  PRO  A  51  .  ?        ?  
 216   3  1  A  52  GLN  A  52  .  ?        ?  
 217   3  1  A  53  SER  A  53  .  ?        ?  
 218   3  1  A  54  VAL  A  54  .  ?        ?  
 219   3  1  A  55  GLY  A  55  .  ?        ?  
 220   3  1  A  56  TRP  A  56  .  ?        ?  
 221   3  1  A  57  MET  A  57  .  ?        ?  
 222   3  1  A  58  PRO  A  58  .  ?        ?  
 223   3  1  A  59  GLY  A  59  .  ?        ?  
 224   3  1  A  60  LEU  A  60  .  ?        ?  
 225   3  1  A  61  ASN  A  61  .  ?        ?  
 226   3  1  A  62  GLU  A  62  .  ?        ?  
 227   3  1  A  63  ARG  A  63  .  ?        1  
 228   3  1  A  64  THR  A  64  .  ?        ?  
 229   3  1  A  65  ARG  A  65  .  ?        ?  
 230   3  1  A  66  GLN  A  66  .  ?        ?  
 231   3  1  A  67  ARG  A  67  .  ?        ?  
 232   3  1  A  68  GLY  A  68  .  ?        ?  
 233   3  1  A  69  ASP  A  69  .  ?        ?  
 234   3  1  A  70  PHE  A  70  .  ?        ?  
 235   3  1  A  71  PRO  A  71  .  ?        ?  
 236   3  1  A  72  GLY  A  72  .  ?        ?  
 237   3  1  A  73  THR  A  73  .  ?        ?  
 238   3  1  A  74  TYR  A  74  .  ?        ?  
 239   3  1  A  75  VAL  A  75  .  ?        ?  
 240   3  1  A  76  GLU  A  76  .  ?        ?  
 241   3  1  A  77  PHE  A  77  .  ?        ?  
 242   3  1  A  78  LEU  A  78  .  ?        ?  
 243   3  1  A  79  GLY  A  79  .  ?        ?  
 244   3  1  A  80  PRO  A  80  .  ?        ?  
 245   3  1  A  81  LEU  A  81  .  ?        ?  
 246   3  1  A  82  GLU  A  82  .  ?        ?  
 247   4  1  A   1  MET  A   1  .  ?        2  
 248   4  1  A   2  ALA  A   2  .  ?        ?  
 249   4  1  A   3  GLY  A   3  .  ?        ?  
 250   4  1  A   4  PRO  A   4  .  ?        ?  
 251   4  1  A   5  GLU  A   5  .  ?        ?  
 252   4  1  A   6  GLY  A   6  .  ?        ?  
 253   4  1  A   7  PHE  A   7  .  ?        ?  
 254   4  1  A   8  GLN  A   8  .  ?        ?  
 255   4  1  A   9  TYR  A   9  .  ?        ?  
 256   4  1  A  10  ARG  A  10  .  ?        ?  
 257   4  1  A  11  ALA  A  11  .  ?        ?  
 258   4  1  A  12  LEU  A  12  .  ?        ?  
 259   4  1  A  13  TYR  A  13  .  ?        ?  
 260   4  1  A  14  PRO  A  14  .  ?        1  
 261   4  1  A  15  PHE  A  15  .  ?        ?  
 262   4  1  A  16  ARG  A  16  .  ?        2  
 263   4  1  A  17  ARG  A  17  .  ?        ?  
 264   4  1  A  18  GLU  A  18  .  ?        ?  
 265   4  1  A  19  ARG  A  19  .  ?        ?  
 266   4  1  A  20  PRO  A  20  .  ?        ?  
 267   4  1  A  21  GLU  A  21  .  ?        ?  
 268   4  1  A  22  ASP  A  22  .  ?        ?  
 269   4  1  A  23  LEU  A  23  .  ?        ?  
 270   4  1  A  24  GLU  A  24  .  ?        ?  
 271   4  1  A  25  LEU  A  25  .  ?        1  
 272   4  1  A  26  LEU  A  26  .  ?        ?  
 273   4  1  A  27  PRO  A  27  .  ?        ?  
 274   4  1  A  28  GLY  A  28  .  ?        ?  
 275   4  1  A  29  ASP  A  29  .  ?        ?  
 276   4  1  A  30  VAL  A  30  .  ?        ?  
 277   4  1  A  31  LEU  A  31  .  ?        ?  
 278   4  1  A  32  VAL  A  32  .  ?        ?  
 279   4  1  A  33  VAL  A  33  .  ?        ?  
 280   4  1  A  34  SER  A  34  .  ?        ?  
 281   4  1  A  35  ARG  A  35  .  ?        ?  
 282   4  1  A  36  ALA  A  36  .  ?        ?  
 283   4  1  A  37  ALA  A  37  .  ?        1  
 284   4  1  A  38  LEU  A  38  .  ?        ?  
 285   4  1  A  39  GLN  A  39  .  ?        ?  
 286   4  1  A  40  ALA  A  40  .  ?        ?  
 287   4  1  A  41  LEU  A  41  .  ?        ?  
 288   4  1  A  42  GLY  A  42  .  ?        ?  
 289   4  1  A  43  VAL  A  43  .  ?        ?  
 290   4  1  A  44  ALA  A  44  .  ?        ?  
 291   4  1  A  45  GLU  A  45  .  ?        ?  
 292   4  1  A  46  GLY  A  46  .  ?        ?  
 293   4  1  A  47  GLY  A  47  .  ?        ?  
 294   4  1  A  48  GLU  A  48  .  ?        ?  
 295   4  1  A  49  ARG  A  49  .  ?        ?  
 296   4  1  A  50  CYS  A  50  .  ?        ?  
 297   4  1  A  51  PRO  A  51  .  ?        1  
 298   4  1  A  52  GLN  A  52  .  ?        ?  
 299   4  1  A  53  SER  A  53  .  ?        ?  
 300   4  1  A  54  VAL  A  54  .  ?        ?  
 301   4  1  A  55  GLY  A  55  .  ?        ?  
 302   4  1  A  56  TRP  A  56  .  ?        ?  
 303   4  1  A  57  MET  A  57  .  ?        1  
 304   4  1  A  58  PRO  A  58  .  ?        1  
 305   4  1  A  59  GLY  A  59  .  ?        ?  
 306   4  1  A  60  LEU  A  60  .  ?        ?  
 307   4  1  A  61  ASN  A  61  .  ?        1  
 308   4  1  A  62  GLU  A  62  .  ?        ?  
 309   4  1  A  63  ARG  A  63  .  ?        ?  
 310   4  1  A  64  THR  A  64  .  ?        ?  
 311   4  1  A  65  ARG  A  65  .  ?        1  
 312   4  1  A  66  GLN  A  66  .  ?        ?  
 313   4  1  A  67  ARG  A  67  .  ?        ?  
 314   4  1  A  68  GLY  A  68  .  ?        ?  
 315   4  1  A  69  ASP  A  69  .  ?        ?  
 316   4  1  A  70  PHE  A  70  .  ?        ?  
 317   4  1  A  71  PRO  A  71  .  ?        ?  
 318   4  1  A  72  GLY  A  72  .  ?        ?  
 319   4  1  A  73  THR  A  73  .  ?        ?  
 320   4  1  A  74  TYR  A  74  .  ?        ?  
 321   4  1  A  75  VAL  A  75  .  ?        ?  
 322   4  1  A  76  GLU  A  76  .  ?        ?  
 323   4  1  A  77  PHE  A  77  .  ?        ?  
 324   4  1  A  78  LEU  A  78  .  ?        ?  
 325   4  1  A  79  GLY  A  79  .  ?        ?  
 326   4  1  A  80  PRO  A  80  .  ?        ?  
 327   4  1  A  81  LEU  A  81  .  ?        ?  
 328   4  1  A  82  GLU  A  82  .  ?        ?  
 329   5  1  A   1  MET  A   1  .  ?        ?  
 330   5  1  A   2  ALA  A   2  .  ?        ?  
 331   5  1  A   3  GLY  A   3  .  ?        ?  
 332   5  1  A   4  PRO  A   4  .  ?        ?  
 333   5  1  A   5  GLU  A   5  .  ?        ?  
 334   5  1  A   6  GLY  A   6  .  ?        ?  
 335   5  1  A   7  PHE  A   7  .  ?        ?  
 336   5  1  A   8  GLN  A   8  .  ?        ?  
 337   5  1  A   9  TYR  A   9  .  ?        ?  
 338   5  1  A  10  ARG  A  10  .  ?        ?  
 339   5  1  A  11  ALA  A  11  .  ?        ?  
 340   5  1  A  12  LEU  A  12  .  ?        ?  
 341   5  1  A  13  TYR  A  13  .  ?        ?  
 342   5  1  A  14  PRO  A  14  .  ?        1  
 343   5  1  A  15  PHE  A  15  .  ?        ?  
 344   5  1  A  16  ARG  A  16  .  ?        ?  
 345   5  1  A  17  ARG  A  17  .  ?        1  
 346   5  1  A  18  GLU  A  18  .  ?        1  
 347   5  1  A  19  ARG  A  19  .  ?        ?  
 348   5  1  A  20  PRO  A  20  .  ?        ?  
 349   5  1  A  21  GLU  A  21  .  ?        ?  
 350   5  1  A  22  ASP  A  22  .  ?        ?  
 351   5  1  A  23  LEU  A  23  .  ?        ?  
 352   5  1  A  24  GLU  A  24  .  ?        ?  
 353   5  1  A  25  LEU  A  25  .  ?        1  
 354   5  1  A  26  LEU  A  26  .  ?        ?  
 355   5  1  A  27  PRO  A  27  .  ?        ?  
 356   5  1  A  28  GLY  A  28  .  ?        ?  
 357   5  1  A  29  ASP  A  29  .  ?        ?  
 358   5  1  A  30  VAL  A  30  .  ?        ?  
 359   5  1  A  31  LEU  A  31  .  ?        ?  
 360   5  1  A  32  VAL  A  32  .  ?        ?  
 361   5  1  A  33  VAL  A  33  .  ?        ?  
 362   5  1  A  34  SER  A  34  .  ?        ?  
 363   5  1  A  35  ARG  A  35  .  ?        ?  
 364   5  1  A  36  ALA  A  36  .  ?        ?  
 365   5  1  A  37  ALA  A  37  .  ?        ?  
 366   5  1  A  38  LEU  A  38  .  ?        ?  
 367   5  1  A  39  GLN  A  39  .  ?        ?  
 368   5  1  A  40  ALA  A  40  .  ?        ?  
 369   5  1  A  41  LEU  A  41  .  ?        ?  
 370   5  1  A  42  GLY  A  42  .  ?        ?  
 371   5  1  A  43  VAL  A  43  .  ?        ?  
 372   5  1  A  44  ALA  A  44  .  ?        ?  
 373   5  1  A  45  GLU  A  45  .  ?        ?  
 374   5  1  A  46  GLY  A  46  .  ?        ?  
 375   5  1  A  47  GLY  A  47  .  ?        ?  
 376   5  1  A  48  GLU  A  48  .  ?        ?  
 377   5  1  A  49  ARG  A  49  .  ?        ?  
 378   5  1  A  50  CYS  A  50  .  ?        ?  
 379   5  1  A  51  PRO  A  51  .  ?        ?  
 380   5  1  A  52  GLN  A  52  .  ?        ?  
 381   5  1  A  53  SER  A  53  .  ?        ?  
 382   5  1  A  54  VAL  A  54  .  ?        ?  
 383   5  1  A  55  GLY  A  55  .  ?        ?  
 384   5  1  A  56  TRP  A  56  .  ?        ?  
 385   5  1  A  57  MET  A  57  .  ?        2  
 386   5  1  A  58  PRO  A  58  .  ?        ?  
 387   5  1  A  59  GLY  A  59  .  ?        ?  
 388   5  1  A  60  LEU  A  60  .  ?        ?  
 389   5  1  A  61  ASN  A  61  .  ?        ?  
 390   5  1  A  62  GLU  A  62  .  ?        ?  
 391   5  1  A  63  ARG  A  63  .  ?        ?  
 392   5  1  A  64  THR  A  64  .  ?        ?  
 393   5  1  A  65  ARG  A  65  .  ?        ?  
 394   5  1  A  66  GLN  A  66  .  ?        ?  
 395   5  1  A  67  ARG  A  67  .  ?        ?  
 396   5  1  A  68  GLY  A  68  .  ?        ?  
 397   5  1  A  69  ASP  A  69  .  ?        ?  
 398   5  1  A  70  PHE  A  70  .  ?        ?  
 399   5  1  A  71  PRO  A  71  .  ?        ?  
 400   5  1  A  72  GLY  A  72  .  ?        ?  
 401   5  1  A  73  THR  A  73  .  ?        ?  
 402   5  1  A  74  TYR  A  74  .  ?        ?  
 403   5  1  A  75  VAL  A  75  .  ?        ?  
 404   5  1  A  76  GLU  A  76  .  ?        ?  
 405   5  1  A  77  PHE  A  77  .  ?        ?  
 406   5  1  A  78  LEU  A  78  .  ?        ?  
 407   5  1  A  79  GLY  A  79  .  ?        ?  
 408   5  1  A  80  PRO  A  80  .  ?        ?  
 409   5  1  A  81  LEU  A  81  .  ?        ?  
 410   5  1  A  82  GLU  A  82  .  ?        ?  
 411   6  1  A   1  MET  A   1  .  ?        2  
 412   6  1  A   2  ALA  A   2  .  ?        ?  
 413   6  1  A   3  GLY  A   3  .  ?        ?  
 414   6  1  A   4  PRO  A   4  .  ?        ?  
 415   6  1  A   5  GLU  A   5  .  ?        ?  
 416   6  1  A   6  GLY  A   6  .  ?        ?  
 417   6  1  A   7  PHE  A   7  .  ?        ?  
 418   6  1  A   8  GLN  A   8  .  ?        ?  
 419   6  1  A   9  TYR  A   9  .  ?        ?  
 420   6  1  A  10  ARG  A  10  .  ?        ?  
 421   6  1  A  11  ALA  A  11  .  ?        ?  
 422   6  1  A  12  LEU  A  12  .  ?        ?  
 423   6  1  A  13  TYR  A  13  .  ?        ?  
 424   6  1  A  14  PRO  A  14  .  ?        1  
 425   6  1  A  15  PHE  A  15  .  ?        ?  
 426   6  1  A  16  ARG  A  16  .  ?        ?  
 427   6  1  A  17  ARG  A  17  .  ?        ?  
 428   6  1  A  18  GLU  A  18  .  ?        ?  
 429   6  1  A  19  ARG  A  19  .  ?        ?  
 430   6  1  A  20  PRO  A  20  .  ?        ?  
 431   6  1  A  21  GLU  A  21  .  ?        ?  
 432   6  1  A  22  ASP  A  22  .  ?        ?  
 433   6  1  A  23  LEU  A  23  .  ?        ?  
 434   6  1  A  24  GLU  A  24  .  ?        ?  
 435   6  1  A  25  LEU  A  25  .  ?        1  
 436   6  1  A  26  LEU  A  26  .  ?        ?  
 437   6  1  A  27  PRO  A  27  .  ?        ?  
 438   6  1  A  28  GLY  A  28  .  ?        ?  
 439   6  1  A  29  ASP  A  29  .  ?        ?  
 440   6  1  A  30  VAL  A  30  .  ?        ?  
 441   6  1  A  31  LEU  A  31  .  ?        ?  
 442   6  1  A  32  VAL  A  32  .  ?        ?  
 443   6  1  A  33  VAL  A  33  .  ?        ?  
 444   6  1  A  34  SER  A  34  .  ?        ?  
 445   6  1  A  35  ARG  A  35  .  ?        ?  
 446   6  1  A  36  ALA  A  36  .  ?        ?  
 447   6  1  A  37  ALA  A  37  .  ?        ?  
 448   6  1  A  38  LEU  A  38  .  ?        ?  
 449   6  1  A  39  GLN  A  39  .  ?        ?  
 450   6  1  A  40  ALA  A  40  .  ?        ?  
 451   6  1  A  41  LEU  A  41  .  ?        ?  
 452   6  1  A  42  GLY  A  42  .  ?        ?  
 453   6  1  A  43  VAL  A  43  .  ?        ?  
 454   6  1  A  44  ALA  A  44  .  ?        ?  
 455   6  1  A  45  GLU  A  45  .  ?        ?  
 456   6  1  A  46  GLY  A  46  .  ?        ?  
 457   6  1  A  47  GLY  A  47  .  ?        ?  
 458   6  1  A  48  GLU  A  48  .  ?        ?  
 459   6  1  A  49  ARG  A  49  .  ?        ?  
 460   6  1  A  50  CYS  A  50  .  ?        ?  
 461   6  1  A  51  PRO  A  51  .  ?        ?  
 462   6  1  A  52  GLN  A  52  .  ?        1  
 463   6  1  A  53  SER  A  53  .  ?        ?  
 464   6  1  A  54  VAL  A  54  .  ?        ?  
 465   6  1  A  55  GLY  A  55  .  ?        ?  
 466   6  1  A  56  TRP  A  56  .  ?        ?  
 467   6  1  A  57  MET  A  57  .  ?        ?  
 468   6  1  A  58  PRO  A  58  .  ?        ?  
 469   6  1  A  59  GLY  A  59  .  ?        ?  
 470   6  1  A  60  LEU  A  60  .  ?        ?  
 471   6  1  A  61  ASN  A  61  .  ?        ?  
 472   6  1  A  62  GLU  A  62  .  ?        ?  
 473   6  1  A  63  ARG  A  63  .  ?        ?  
 474   6  1  A  64  THR  A  64  .  ?        ?  
 475   6  1  A  65  ARG  A  65  .  ?        ?  
 476   6  1  A  66  GLN  A  66  .  ?        ?  
 477   6  1  A  67  ARG  A  67  .  ?        ?  
 478   6  1  A  68  GLY  A  68  .  ?        ?  
 479   6  1  A  69  ASP  A  69  .  ?        ?  
 480   6  1  A  70  PHE  A  70  .  ?        ?  
 481   6  1  A  71  PRO  A  71  .  ?        ?  
 482   6  1  A  72  GLY  A  72  .  ?        ?  
 483   6  1  A  73  THR  A  73  .  ?        1  
 484   6  1  A  74  TYR  A  74  .  ?        ?  
 485   6  1  A  75  VAL  A  75  .  ?        ?  
 486   6  1  A  76  GLU  A  76  .  ?        ?  
 487   6  1  A  77  PHE  A  77  .  ?        ?  
 488   6  1  A  78  LEU  A  78  .  ?        ?  
 489   6  1  A  79  GLY  A  79  .  ?        ?  
 490   6  1  A  80  PRO  A  80  .  ?        ?  
 491   6  1  A  81  LEU  A  81  .  ?        ?  
 492   6  1  A  82  GLU  A  82  .  ?        ?  
 493   7  1  A   1  MET  A   1  .  ?        ?  
 494   7  1  A   2  ALA  A   2  .  ?        ?  
 495   7  1  A   3  GLY  A   3  .  ?        ?  
 496   7  1  A   4  PRO  A   4  .  ?        ?  
 497   7  1  A   5  GLU  A   5  .  ?        ?  
 498   7  1  A   6  GLY  A   6  .  ?        ?  
 499   7  1  A   7  PHE  A   7  .  ?        ?  
 500   7  1  A   8  GLN  A   8  .  ?        ?  
 501   7  1  A   9  TYR  A   9  .  ?        ?  
 502   7  1  A  10  ARG  A  10  .  ?        ?  
 503   7  1  A  11  ALA  A  11  .  ?        ?  
 504   7  1  A  12  LEU  A  12  .  ?        ?  
 505   7  1  A  13  TYR  A  13  .  ?        ?  
 506   7  1  A  14  PRO  A  14  .  ?        1  
 507   7  1  A  15  PHE  A  15  .  ?        ?  
 508   7  1  A  16  ARG  A  16  .  ?        ?  
 509   7  1  A  17  ARG  A  17  .  ?        1  
 510   7  1  A  18  GLU  A  18  .  ?        ?  
 511   7  1  A  19  ARG  A  19  .  ?        ?  
 512   7  1  A  20  PRO  A  20  .  ?        ?  
 513   7  1  A  21  GLU  A  21  .  ?        ?  
 514   7  1  A  22  ASP  A  22  .  ?        ?  
 515   7  1  A  23  LEU  A  23  .  ?        ?  
 516   7  1  A  24  GLU  A  24  .  ?        1  
 517   7  1  A  25  LEU  A  25  .  ?        1  
 518   7  1  A  26  LEU  A  26  .  ?        ?  
 519   7  1  A  27  PRO  A  27  .  ?        ?  
 520   7  1  A  28  GLY  A  28  .  ?        ?  
 521   7  1  A  29  ASP  A  29  .  ?        ?  
 522   7  1  A  30  VAL  A  30  .  ?        ?  
 523   7  1  A  31  LEU  A  31  .  ?        ?  
 524   7  1  A  32  VAL  A  32  .  ?        ?  
 525   7  1  A  33  VAL  A  33  .  ?        ?  
 526   7  1  A  34  SER  A  34  .  ?        ?  
 527   7  1  A  35  ARG  A  35  .  ?        ?  
 528   7  1  A  36  ALA  A  36  .  ?        ?  
 529   7  1  A  37  ALA  A  37  .  ?        ?  
 530   7  1  A  38  LEU  A  38  .  ?        ?  
 531   7  1  A  39  GLN  A  39  .  ?        ?  
 532   7  1  A  40  ALA  A  40  .  ?        ?  
 533   7  1  A  41  LEU  A  41  .  ?        ?  
 534   7  1  A  42  GLY  A  42  .  ?        ?  
 535   7  1  A  43  VAL  A  43  .  ?        ?  
 536   7  1  A  44  ALA  A  44  .  ?        ?  
 537   7  1  A  45  GLU  A  45  .  ?        ?  
 538   7  1  A  46  GLY  A  46  .  ?        ?  
 539   7  1  A  47  GLY  A  47  .  ?        ?  
 540   7  1  A  48  GLU  A  48  .  ?        ?  
 541   7  1  A  49  ARG  A  49  .  ?        ?  
 542   7  1  A  50  CYS  A  50  .  ?        ?  
 543   7  1  A  51  PRO  A  51  .  ?        ?  
 544   7  1  A  52  GLN  A  52  .  ?        ?  
 545   7  1  A  53  SER  A  53  .  ?        ?  
 546   7  1  A  54  VAL  A  54  .  ?        ?  
 547   7  1  A  55  GLY  A  55  .  ?        ?  
 548   7  1  A  56  TRP  A  56  .  ?        ?  
 549   7  1  A  57  MET  A  57  .  ?        2  
 550   7  1  A  58  PRO  A  58  .  ?        ?  
 551   7  1  A  59  GLY  A  59  .  ?        ?  
 552   7  1  A  60  LEU  A  60  .  ?        ?  
 553   7  1  A  61  ASN  A  61  .  ?        ?  
 554   7  1  A  62  GLU  A  62  .  ?        ?  
 555   7  1  A  63  ARG  A  63  .  ?        ?  
 556   7  1  A  64  THR  A  64  .  ?        1  
 557   7  1  A  65  ARG  A  65  .  ?        ?  
 558   7  1  A  66  GLN  A  66  .  ?        1  
 559   7  1  A  67  ARG  A  67  .  ?        ?  
 560   7  1  A  68  GLY  A  68  .  ?        ?  
 561   7  1  A  69  ASP  A  69  .  ?        ?  
 562   7  1  A  70  PHE  A  70  .  ?        ?  
 563   7  1  A  71  PRO  A  71  .  ?        ?  
 564   7  1  A  72  GLY  A  72  .  ?        ?  
 565   7  1  A  73  THR  A  73  .  ?        ?  
 566   7  1  A  74  TYR  A  74  .  ?        ?  
 567   7  1  A  75  VAL  A  75  .  ?        ?  
 568   7  1  A  76  GLU  A  76  .  ?        ?  
 569   7  1  A  77  PHE  A  77  .  ?        ?  
 570   7  1  A  78  LEU  A  78  .  ?        ?  
 571   7  1  A  79  GLY  A  79  .  ?        ?  
 572   7  1  A  80  PRO  A  80  .  ?        ?  
 573   7  1  A  81  LEU  A  81  .  ?        2  
 574   7  1  A  82  GLU  A  82  .  ?        ?  
 575   8  1  A   1  MET  A   1  .  ?        ?  
 576   8  1  A   2  ALA  A   2  .  ?        ?  
 577   8  1  A   3  GLY  A   3  .  ?        ?  
 578   8  1  A   4  PRO  A   4  .  ?        1  
 579   8  1  A   5  GLU  A   5  .  ?        ?  
 580   8  1  A   6  GLY  A   6  .  ?        ?  
 581   8  1  A   7  PHE  A   7  .  ?        ?  
 582   8  1  A   8  GLN  A   8  .  ?        1  
 583   8  1  A   9  TYR  A   9  .  ?        1  
 584   8  1  A  10  ARG  A  10  .  ?        ?  
 585   8  1  A  11  ALA  A  11  .  ?        ?  
 586   8  1  A  12  LEU  A  12  .  ?        ?  
 587   8  1  A  13  TYR  A  13  .  ?        ?  
 588   8  1  A  14  PRO  A  14  .  ?        ?  
 589   8  1  A  15  PHE  A  15  .  ?        ?  
 590   8  1  A  16  ARG  A  16  .  ?        ?  
 591   8  1  A  17  ARG  A  17  .  ?        2  
 592   8  1  A  18  GLU  A  18  .  ?        1  
 593   8  1  A  19  ARG  A  19  .  ?        ?  
 594   8  1  A  20  PRO  A  20  .  ?        ?  
 595   8  1  A  21  GLU  A  21  .  ?        ?  
 596   8  1  A  22  ASP  A  22  .  ?        ?  
 597   8  1  A  23  LEU  A  23  .  ?        ?  
 598   8  1  A  24  GLU  A  24  .  ?        1  
 599   8  1  A  25  LEU  A  25  .  ?        ?  
 600   8  1  A  26  LEU  A  26  .  ?        ?  
 601   8  1  A  27  PRO  A  27  .  ?        ?  
 602   8  1  A  28  GLY  A  28  .  ?        ?  
 603   8  1  A  29  ASP  A  29  .  ?        ?  
 604   8  1  A  30  VAL  A  30  .  ?        ?  
 605   8  1  A  31  LEU  A  31  .  ?        ?  
 606   8  1  A  32  VAL  A  32  .  ?        ?  
 607   8  1  A  33  VAL  A  33  .  ?        ?  
 608   8  1  A  34  SER  A  34  .  ?        ?  
 609   8  1  A  35  ARG  A  35  .  ?        ?  
 610   8  1  A  36  ALA  A  36  .  ?        ?  
 611   8  1  A  37  ALA  A  37  .  ?        ?  
 612   8  1  A  38  LEU  A  38  .  ?        ?  
 613   8  1  A  39  GLN  A  39  .  ?        ?  
 614   8  1  A  40  ALA  A  40  .  ?        ?  
 615   8  1  A  41  LEU  A  41  .  ?        ?  
 616   8  1  A  42  GLY  A  42  .  ?        ?  
 617   8  1  A  43  VAL  A  43  .  ?        ?  
 618   8  1  A  44  ALA  A  44  .  ?        ?  
 619   8  1  A  45  GLU  A  45  .  ?        ?  
 620   8  1  A  46  GLY  A  46  .  ?        ?  
 621   8  1  A  47  GLY  A  47  .  ?        ?  
 622   8  1  A  48  GLU  A  48  .  ?        ?  
 623   8  1  A  49  ARG  A  49  .  ?        ?  
 624   8  1  A  50  CYS  A  50  .  ?        ?  
 625   8  1  A  51  PRO  A  51  .  ?        ?  
 626   8  1  A  52  GLN  A  52  .  ?        ?  
 627   8  1  A  53  SER  A  53  .  ?        ?  
 628   8  1  A  54  VAL  A  54  .  ?        ?  
 629   8  1  A  55  GLY  A  55  .  ?        ?  
 630   8  1  A  56  TRP  A  56  .  ?        ?  
 631   8  1  A  57  MET  A  57  .  ?        ?  
 632   8  1  A  58  PRO  A  58  .  ?        ?  
 633   8  1  A  59  GLY  A  59  .  ?        ?  
 634   8  1  A  60  LEU  A  60  .  ?        ?  
 635   8  1  A  61  ASN  A  61  .  ?        ?  
 636   8  1  A  62  GLU  A  62  .  ?        ?  
 637   8  1  A  63  ARG  A  63  .  ?        ?  
 638   8  1  A  64  THR  A  64  .  ?        ?  
 639   8  1  A  65  ARG  A  65  .  ?        ?  
 640   8  1  A  66  GLN  A  66  .  ?        ?  
 641   8  1  A  67  ARG  A  67  .  ?        ?  
 642   8  1  A  68  GLY  A  68  .  ?        ?  
 643   8  1  A  69  ASP  A  69  .  ?        ?  
 644   8  1  A  70  PHE  A  70  .  ?        ?  
 645   8  1  A  71  PRO  A  71  .  ?        ?  
 646   8  1  A  72  GLY  A  72  .  ?        ?  
 647   8  1  A  73  THR  A  73  .  ?        ?  
 648   8  1  A  74  TYR  A  74  .  ?        ?  
 649   8  1  A  75  VAL  A  75  .  ?        ?  
 650   8  1  A  76  GLU  A  76  .  ?        1  
 651   8  1  A  77  PHE  A  77  .  ?        ?  
 652   8  1  A  78  LEU  A  78  .  ?        ?  
 653   8  1  A  79  GLY  A  79  .  ?        ?  
 654   8  1  A  80  PRO  A  80  .  ?        1  
 655   8  1  A  81  LEU  A  81  .  ?        3  
 656   8  1  A  82  GLU  A  82  .  ?        ?  
 657   9  1  A   1  MET  A   1  .  ?        2  
 658   9  1  A   2  ALA  A   2  .  ?        ?  
 659   9  1  A   3  GLY  A   3  .  ?        ?  
 660   9  1  A   4  PRO  A   4  .  ?        ?  
 661   9  1  A   5  GLU  A   5  .  ?        ?  
 662   9  1  A   6  GLY  A   6  .  ?        ?  
 663   9  1  A   7  PHE  A   7  .  ?        ?  
 664   9  1  A   8  GLN  A   8  .  ?        ?  
 665   9  1  A   9  TYR  A   9  .  ?        ?  
 666   9  1  A  10  ARG  A  10  .  ?        1  
 667   9  1  A  11  ALA  A  11  .  ?        ?  
 668   9  1  A  12  LEU  A  12  .  ?        ?  
 669   9  1  A  13  TYR  A  13  .  ?        ?  
 670   9  1  A  14  PRO  A  14  .  ?        ?  
 671   9  1  A  15  PHE  A  15  .  ?        ?  
 672   9  1  A  16  ARG  A  16  .  ?        ?  
 673   9  1  A  17  ARG  A  17  .  ?        1  
 674   9  1  A  18  GLU  A  18  .  ?        ?  
 675   9  1  A  19  ARG  A  19  .  ?        ?  
 676   9  1  A  20  PRO  A  20  .  ?        ?  
 677   9  1  A  21  GLU  A  21  .  ?        ?  
 678   9  1  A  22  ASP  A  22  .  ?        1  
 679   9  1  A  23  LEU  A  23  .  ?        ?  
 680   9  1  A  24  GLU  A  24  .  ?        ?  
 681   9  1  A  25  LEU  A  25  .  ?        ?  
 682   9  1  A  26  LEU  A  26  .  ?        ?  
 683   9  1  A  27  PRO  A  27  .  ?        ?  
 684   9  1  A  28  GLY  A  28  .  ?        ?  
 685   9  1  A  29  ASP  A  29  .  ?        1  
 686   9  1  A  30  VAL  A  30  .  ?        ?  
 687   9  1  A  31  LEU  A  31  .  ?        ?  
 688   9  1  A  32  VAL  A  32  .  ?        ?  
 689   9  1  A  33  VAL  A  33  .  ?        ?  
 690   9  1  A  34  SER  A  34  .  ?        ?  
 691   9  1  A  35  ARG  A  35  .  ?        ?  
 692   9  1  A  36  ALA  A  36  .  ?        ?  
 693   9  1  A  37  ALA  A  37  .  ?        ?  
 694   9  1  A  38  LEU  A  38  .  ?        ?  
 695   9  1  A  39  GLN  A  39  .  ?        ?  
 696   9  1  A  40  ALA  A  40  .  ?        ?  
 697   9  1  A  41  LEU  A  41  .  ?        ?  
 698   9  1  A  42  GLY  A  42  .  ?        ?  
 699   9  1  A  43  VAL  A  43  .  ?        ?  
 700   9  1  A  44  ALA  A  44  .  ?        ?  
 701   9  1  A  45  GLU  A  45  .  ?        ?  
 702   9  1  A  46  GLY  A  46  .  ?        ?  
 703   9  1  A  47  GLY  A  47  .  ?        ?  
 704   9  1  A  48  GLU  A  48  .  ?        ?  
 705   9  1  A  49  ARG  A  49  .  ?        ?  
 706   9  1  A  50  CYS  A  50  .  ?        ?  
 707   9  1  A  51  PRO  A  51  .  ?        ?  
 708   9  1  A  52  GLN  A  52  .  ?        ?  
 709   9  1  A  53  SER  A  53  .  ?        ?  
 710   9  1  A  54  VAL  A  54  .  ?        ?  
 711   9  1  A  55  GLY  A  55  .  ?        ?  
 712   9  1  A  56  TRP  A  56  .  ?        ?  
 713   9  1  A  57  MET  A  57  .  ?        ?  
 714   9  1  A  58  PRO  A  58  .  ?        ?  
 715   9  1  A  59  GLY  A  59  .  ?        ?  
 716   9  1  A  60  LEU  A  60  .  ?        ?  
 717   9  1  A  61  ASN  A  61  .  ?        ?  
 718   9  1  A  62  GLU  A  62  .  ?        ?  
 719   9  1  A  63  ARG  A  63  .  ?        ?  
 720   9  1  A  64  THR  A  64  .  ?        ?  
 721   9  1  A  65  ARG  A  65  .  ?        ?  
 722   9  1  A  66  GLN  A  66  .  ?        ?  
 723   9  1  A  67  ARG  A  67  .  ?        ?  
 724   9  1  A  68  GLY  A  68  .  ?        ?  
 725   9  1  A  69  ASP  A  69  .  ?        ?  
 726   9  1  A  70  PHE  A  70  .  ?        ?  
 727   9  1  A  71  PRO  A  71  .  ?        ?  
 728   9  1  A  72  GLY  A  72  .  ?        ?  
 729   9  1  A  73  THR  A  73  .  ?        ?  
 730   9  1  A  74  TYR  A  74  .  ?        ?  
 731   9  1  A  75  VAL  A  75  .  ?        ?  
 732   9  1  A  76  GLU  A  76  .  ?        ?  
 733   9  1  A  77  PHE  A  77  .  ?        ?  
 734   9  1  A  78  LEU  A  78  .  ?        ?  
 735   9  1  A  79  GLY  A  79  .  ?        ?  
 736   9  1  A  80  PRO  A  80  .  ?        ?  
 737   9  1  A  81  LEU  A  81  .  ?        ?  
 738   9  1  A  82  GLU  A  82  .  ?        ?  
 739  10  1  A   1  MET  A   1  .  ?        ?  
 740  10  1  A   2  ALA  A   2  .  ?        ?  
 741  10  1  A   3  GLY  A   3  .  ?        ?  
 742  10  1  A   4  PRO  A   4  .  ?        1  
 743  10  1  A   5  GLU  A   5  .  ?        ?  
 744  10  1  A   6  GLY  A   6  .  ?        ?  
 745  10  1  A   7  PHE  A   7  .  ?        ?  
 746  10  1  A   8  GLN  A   8  .  ?        ?  
 747  10  1  A   9  TYR  A   9  .  ?        ?  
 748  10  1  A  10  ARG  A  10  .  ?        ?  
 749  10  1  A  11  ALA  A  11  .  ?        ?  
 750  10  1  A  12  LEU  A  12  .  ?        ?  
 751  10  1  A  13  TYR  A  13  .  ?        ?  
 752  10  1  A  14  PRO  A  14  .  ?        1  
 753  10  1  A  15  PHE  A  15  .  ?        ?  
 754  10  1  A  16  ARG  A  16  .  ?        ?  
 755  10  1  A  17  ARG  A  17  .  ?        ?  
 756  10  1  A  18  GLU  A  18  .  ?        ?  
 757  10  1  A  19  ARG  A  19  .  ?        ?  
 758  10  1  A  20  PRO  A  20  .  ?        ?  
 759  10  1  A  21  GLU  A  21  .  ?        ?  
 760  10  1  A  22  ASP  A  22  .  ?        ?  
 761  10  1  A  23  LEU  A  23  .  ?        ?  
 762  10  1  A  24  GLU  A  24  .  ?        ?  
 763  10  1  A  25  LEU  A  25  .  ?        1  
 764  10  1  A  26  LEU  A  26  .  ?        ?  
 765  10  1  A  27  PRO  A  27  .  ?        ?  
 766  10  1  A  28  GLY  A  28  .  ?        ?  
 767  10  1  A  29  ASP  A  29  .  ?        ?  
 768  10  1  A  30  VAL  A  30  .  ?        ?  
 769  10  1  A  31  LEU  A  31  .  ?        ?  
 770  10  1  A  32  VAL  A  32  .  ?        ?  
 771  10  1  A  33  VAL  A  33  .  ?        ?  
 772  10  1  A  34  SER  A  34  .  ?        ?  
 773  10  1  A  35  ARG  A  35  .  ?        ?  
 774  10  1  A  36  ALA  A  36  .  ?        ?  
 775  10  1  A  37  ALA  A  37  .  ?        ?  
 776  10  1  A  38  LEU  A  38  .  ?        ?  
 777  10  1  A  39  GLN  A  39  .  ?        ?  
 778  10  1  A  40  ALA  A  40  .  ?        ?  
 779  10  1  A  41  LEU  A  41  .  ?        ?  
 780  10  1  A  42  GLY  A  42  .  ?        ?  
 781  10  1  A  43  VAL  A  43  .  ?        ?  
 782  10  1  A  44  ALA  A  44  .  ?        ?  
 783  10  1  A  45  GLU  A  45  .  ?        ?  
 784  10  1  A  46  GLY  A  46  .  ?        ?  
 785  10  1  A  47  GLY  A  47  .  ?        ?  
 786  10  1  A  48  GLU  A  48  .  ?        ?  
 787  10  1  A  49  ARG  A  49  .  ?        ?  
 788  10  1  A  50  CYS  A  50  .  ?        ?  
 789  10  1  A  51  PRO  A  51  .  ?        ?  
 790  10  1  A  52  GLN  A  52  .  ?        ?  
 791  10  1  A  53  SER  A  53  .  ?        ?  
 792  10  1  A  54  VAL  A  54  .  ?        ?  
 793  10  1  A  55  GLY  A  55  .  ?        ?  
 794  10  1  A  56  TRP  A  56  .  ?        ?  
 795  10  1  A  57  MET  A  57  .  ?        ?  
 796  10  1  A  58  PRO  A  58  .  ?        ?  
 797  10  1  A  59  GLY  A  59  .  ?        ?  
 798  10  1  A  60  LEU  A  60  .  ?        ?  
 799  10  1  A  61  ASN  A  61  .  ?        ?  
 800  10  1  A  62  GLU  A  62  .  ?        ?  
 801  10  1  A  63  ARG  A  63  .  ?        ?  
 802  10  1  A  64  THR  A  64  .  ?        ?  
 803  10  1  A  65  ARG  A  65  .  ?        ?  
 804  10  1  A  66  GLN  A  66  .  ?        ?  
 805  10  1  A  67  ARG  A  67  .  ?        ?  
 806  10  1  A  68  GLY  A  68  .  ?        ?  
 807  10  1  A  69  ASP  A  69  .  ?        ?  
 808  10  1  A  70  PHE  A  70  .  ?        ?  
 809  10  1  A  71  PRO  A  71  .  ?        ?  
 810  10  1  A  72  GLY  A  72  .  ?        ?  
 811  10  1  A  73  THR  A  73  .  ?        ?  
 812  10  1  A  74  TYR  A  74  .  ?        ?  
 813  10  1  A  75  VAL  A  75  .  ?        ?  
 814  10  1  A  76  GLU  A  76  .  ?        ?  
 815  10  1  A  77  PHE  A  77  .  ?        ?  
 816  10  1  A  78  LEU  A  78  .  ?        ?  
 817  10  1  A  79  GLY  A  79  .  ?        ?  
 818  10  1  A  80  PRO  A  80  .  ?        ?  
 819  10  1  A  81  LEU  A  81  .  ?        1  
 820  10  1  A  82  GLU  A  82  .  ?        ?  
 821  11  1  A   1  MET  A   1  .  ?        ?  
 822  11  1  A   2  ALA  A   2  .  ?        ?  
 823  11  1  A   3  GLY  A   3  .  ?        ?  
 824  11  1  A   4  PRO  A   4  .  ?        ?  
 825  11  1  A   5  GLU  A   5  .  ?        ?  
 826  11  1  A   6  GLY  A   6  .  ?        ?  
 827  11  1  A   7  PHE  A   7  .  ?        ?  
 828  11  1  A   8  GLN  A   8  .  ?        ?  
 829  11  1  A   9  TYR  A   9  .  ?        ?  
 830  11  1  A  10  ARG  A  10  .  ?        ?  
 831  11  1  A  11  ALA  A  11  .  ?        ?  
 832  11  1  A  12  LEU  A  12  .  ?        ?  
 833  11  1  A  13  TYR  A  13  .  ?        ?  
 834  11  1  A  14  PRO  A  14  .  ?        ?  
 835  11  1  A  15  PHE  A  15  .  ?        ?  
 836  11  1  A  16  ARG  A  16  .  ?        ?  
 837  11  1  A  17  ARG  A  17  .  ?        ?  
 838  11  1  A  18  GLU  A  18  .  ?        1  
 839  11  1  A  19  ARG  A  19  .  ?        1  
 840  11  1  A  20  PRO  A  20  .  ?        ?  
 841  11  1  A  21  GLU  A  21  .  ?        ?  
 842  11  1  A  22  ASP  A  22  .  ?        ?  
 843  11  1  A  23  LEU  A  23  .  ?        ?  
 844  11  1  A  24  GLU  A  24  .  ?        ?  
 845  11  1  A  25  LEU  A  25  .  ?        ?  
 846  11  1  A  26  LEU  A  26  .  ?        1  
 847  11  1  A  27  PRO  A  27  .  ?        ?  
 848  11  1  A  28  GLY  A  28  .  ?        ?  
 849  11  1  A  29  ASP  A  29  .  ?        ?  
 850  11  1  A  30  VAL  A  30  .  ?        ?  
 851  11  1  A  31  LEU  A  31  .  ?        2  
 852  11  1  A  32  VAL  A  32  .  ?        ?  
 853  11  1  A  33  VAL  A  33  .  ?        ?  
 854  11  1  A  34  SER  A  34  .  ?        ?  
 855  11  1  A  35  ARG  A  35  .  ?        ?  
 856  11  1  A  36  ALA  A  36  .  ?        ?  
 857  11  1  A  37  ALA  A  37  .  ?        ?  
 858  11  1  A  38  LEU  A  38  .  ?        ?  
 859  11  1  A  39  GLN  A  39  .  ?        ?  
 860  11  1  A  40  ALA  A  40  .  ?        ?  
 861  11  1  A  41  LEU  A  41  .  ?        ?  
 862  11  1  A  42  GLY  A  42  .  ?        ?  
 863  11  1  A  43  VAL  A  43  .  ?        ?  
 864  11  1  A  44  ALA  A  44  .  ?        ?  
 865  11  1  A  45  GLU  A  45  .  ?        ?  
 866  11  1  A  46  GLY  A  46  .  ?        ?  
 867  11  1  A  47  GLY  A  47  .  ?        ?  
 868  11  1  A  48  GLU  A  48  .  ?        ?  
 869  11  1  A  49  ARG  A  49  .  ?        ?  
 870  11  1  A  50  CYS  A  50  .  ?        ?  
 871  11  1  A  51  PRO  A  51  .  ?        ?  
 872  11  1  A  52  GLN  A  52  .  ?        ?  
 873  11  1  A  53  SER  A  53  .  ?        ?  
 874  11  1  A  54  VAL  A  54  .  ?        ?  
 875  11  1  A  55  GLY  A  55  .  ?        ?  
 876  11  1  A  56  TRP  A  56  .  ?        ?  
 877  11  1  A  57  MET  A  57  .  ?        ?  
 878  11  1  A  58  PRO  A  58  .  ?        ?  
 879  11  1  A  59  GLY  A  59  .  ?        ?  
 880  11  1  A  60  LEU  A  60  .  ?        ?  
 881  11  1  A  61  ASN  A  61  .  ?        ?  
 882  11  1  A  62  GLU  A  62  .  ?        ?  
 883  11  1  A  63  ARG  A  63  .  ?        1  
 884  11  1  A  64  THR  A  64  .  ?        ?  
 885  11  1  A  65  ARG  A  65  .  ?        ?  
 886  11  1  A  66  GLN  A  66  .  ?        ?  
 887  11  1  A  67  ARG  A  67  .  ?        ?  
 888  11  1  A  68  GLY  A  68  .  ?        ?  
 889  11  1  A  69  ASP  A  69  .  ?        ?  
 890  11  1  A  70  PHE  A  70  .  ?        ?  
 891  11  1  A  71  PRO  A  71  .  ?        ?  
 892  11  1  A  72  GLY  A  72  .  ?        ?  
 893  11  1  A  73  THR  A  73  .  ?        ?  
 894  11  1  A  74  TYR  A  74  .  ?        ?  
 895  11  1  A  75  VAL  A  75  .  ?        ?  
 896  11  1  A  76  GLU  A  76  .  ?        ?  
 897  11  1  A  77  PHE  A  77  .  ?        ?  
 898  11  1  A  78  LEU  A  78  .  ?        ?  
 899  11  1  A  79  GLY  A  79  .  ?        ?  
 900  11  1  A  80  PRO  A  80  .  ?        ?  
 901  11  1  A  81  LEU  A  81  .  ?        ?  
 902  11  1  A  82  GLU  A  82  .  ?        ?  
 903  12  1  A   1  MET  A   1  .  ?        ?  
 904  12  1  A   2  ALA  A   2  .  ?        ?  
 905  12  1  A   3  GLY  A   3  .  ?        ?  
 906  12  1  A   4  PRO  A   4  .  ?        ?  
 907  12  1  A   5  GLU  A   5  .  ?        ?  
 908  12  1  A   6  GLY  A   6  .  ?        ?  
 909  12  1  A   7  PHE  A   7  .  ?        ?  
 910  12  1  A   8  GLN  A   8  .  ?        ?  
 911  12  1  A   9  TYR  A   9  .  ?        ?  
 912  12  1  A  10  ARG  A  10  .  ?        ?  
 913  12  1  A  11  ALA  A  11  .  ?        ?  
 914  12  1  A  12  LEU  A  12  .  ?        ?  
 915  12  1  A  13  TYR  A  13  .  ?        ?  
 916  12  1  A  14  PRO  A  14  .  ?        ?  
 917  12  1  A  15  PHE  A  15  .  ?        ?  
 918  12  1  A  16  ARG  A  16  .  ?        ?  
 919  12  1  A  17  ARG  A  17  .  ?        1  
 920  12  1  A  18  GLU  A  18  .  ?        ?  
 921  12  1  A  19  ARG  A  19  .  ?        ?  
 922  12  1  A  20  PRO  A  20  .  ?        ?  
 923  12  1  A  21  GLU  A  21  .  ?        ?  
 924  12  1  A  22  ASP  A  22  .  ?        1  
 925  12  1  A  23  LEU  A  23  .  ?        ?  
 926  12  1  A  24  GLU  A  24  .  ?        ?  
 927  12  1  A  25  LEU  A  25  .  ?        ?  
 928  12  1  A  26  LEU  A  26  .  ?        ?  
 929  12  1  A  27  PRO  A  27  .  ?        ?  
 930  12  1  A  28  GLY  A  28  .  ?        ?  
 931  12  1  A  29  ASP  A  29  .  ?        ?  
 932  12  1  A  30  VAL  A  30  .  ?        ?  
 933  12  1  A  31  LEU  A  31  .  ?        2  
 934  12  1  A  32  VAL  A  32  .  ?        ?  
 935  12  1  A  33  VAL  A  33  .  ?        ?  
 936  12  1  A  34  SER  A  34  .  ?        ?  
 937  12  1  A  35  ARG  A  35  .  ?        ?  
 938  12  1  A  36  ALA  A  36  .  ?        ?  
 939  12  1  A  37  ALA  A  37  .  ?        ?  
 940  12  1  A  38  LEU  A  38  .  ?        ?  
 941  12  1  A  39  GLN  A  39  .  ?        ?  
 942  12  1  A  40  ALA  A  40  .  ?        ?  
 943  12  1  A  41  LEU  A  41  .  ?        ?  
 944  12  1  A  42  GLY  A  42  .  ?        ?  
 945  12  1  A  43  VAL  A  43  .  ?        ?  
 946  12  1  A  44  ALA  A  44  .  ?        ?  
 947  12  1  A  45  GLU  A  45  .  ?        ?  
 948  12  1  A  46  GLY  A  46  .  ?        2  
 949  12  1  A  47  GLY  A  47  .  ?        ?  
 950  12  1  A  48  GLU  A  48  .  ?        ?  
 951  12  1  A  49  ARG  A  49  .  ?        2  
 952  12  1  A  50  CYS  A  50  .  ?        2  
 953  12  1  A  51  PRO  A  51  .  ?        ?  
 954  12  1  A  52  GLN  A  52  .  ?        1  
 955  12  1  A  53  SER  A  53  .  ?        1  
 956  12  1  A  54  VAL  A  54  .  ?        ?  
 957  12  1  A  55  GLY  A  55  .  ?        ?  
 958  12  1  A  56  TRP  A  56  .  ?        ?  
 959  12  1  A  57  MET  A  57  .  ?        ?  
 960  12  1  A  58  PRO  A  58  .  ?        ?  
 961  12  1  A  59  GLY  A  59  .  ?        ?  
 962  12  1  A  60  LEU  A  60  .  ?        ?  
 963  12  1  A  61  ASN  A  61  .  ?        ?  
 964  12  1  A  62  GLU  A  62  .  ?        ?  
 965  12  1  A  63  ARG  A  63  .  ?        ?  
 966  12  1  A  64  THR  A  64  .  ?        ?  
 967  12  1  A  65  ARG  A  65  .  ?        ?  
 968  12  1  A  66  GLN  A  66  .  ?        ?  
 969  12  1  A  67  ARG  A  67  .  ?        ?  
 970  12  1  A  68  GLY  A  68  .  ?        ?  
 971  12  1  A  69  ASP  A  69  .  ?        ?  
 972  12  1  A  70  PHE  A  70  .  ?        ?  
 973  12  1  A  71  PRO  A  71  .  ?        ?  
 974  12  1  A  72  GLY  A  72  .  ?        ?  
 975  12  1  A  73  THR  A  73  .  ?        ?  
 976  12  1  A  74  TYR  A  74  .  ?        ?  
 977  12  1  A  75  VAL  A  75  .  ?        ?  
 978  12  1  A  76  GLU  A  76  .  ?        ?  
 979  12  1  A  77  PHE  A  77  .  ?        ?  
 980  12  1  A  78  LEU  A  78  .  ?        ?  
 981  12  1  A  79  GLY  A  79  .  ?        ?  
 982  12  1  A  80  PRO  A  80  .  ?        ?  
 983  12  1  A  81  LEU  A  81  .  ?        2  
 984  12  1  A  82  GLU  A  82  .  ?        ?  
 985  13  1  A   1  MET  A   1  .  ?        ?  
 986  13  1  A   2  ALA  A   2  .  ?        ?  
 987  13  1  A   3  GLY  A   3  .  ?        ?  
 988  13  1  A   4  PRO  A   4  .  ?        ?  
 989  13  1  A   5  GLU  A   5  .  ?        ?  
 990  13  1  A   6  GLY  A   6  .  ?        ?  
 991  13  1  A   7  PHE  A   7  .  ?        ?  
 992  13  1  A   8  GLN  A   8  .  ?        ?  
 993  13  1  A   9  TYR  A   9  .  ?        ?  
 994  13  1  A  10  ARG  A  10  .  ?        ?  
 995  13  1  A  11  ALA  A  11  .  ?        ?  
 996  13  1  A  12  LEU  A  12  .  ?        ?  
 997  13  1  A  13  TYR  A  13  .  ?        ?  
 998  13  1  A  14  PRO  A  14  .  ?        1  
 999  13  1  A  15  PHE  A  15  .  ?        ?  
1000  13  1  A  16  ARG  A  16  .  ?        ?  
1001  13  1  A  17  ARG  A  17  .  ?        2  
1002  13  1  A  18  GLU  A  18  .  ?        ?  
1003  13  1  A  19  ARG  A  19  .  ?        ?  
1004  13  1  A  20  PRO  A  20  .  ?        ?  
1005  13  1  A  21  GLU  A  21  .  ?        ?  
1006  13  1  A  22  ASP  A  22  .  ?        ?  
1007  13  1  A  23  LEU  A  23  .  ?        ?  
1008  13  1  A  24  GLU  A  24  .  ?        ?  
1009  13  1  A  25  LEU  A  25  .  ?        1  
1010  13  1  A  26  LEU  A  26  .  ?        ?  
1011  13  1  A  27  PRO  A  27  .  ?        ?  
1012  13  1  A  28  GLY  A  28  .  ?        ?  
1013  13  1  A  29  ASP  A  29  .  ?        ?  
1014  13  1  A  30  VAL  A  30  .  ?        ?  
1015  13  1  A  31  LEU  A  31  .  ?        ?  
1016  13  1  A  32  VAL  A  32  .  ?        ?  
1017  13  1  A  33  VAL  A  33  .  ?        ?  
1018  13  1  A  34  SER  A  34  .  ?        ?  
1019  13  1  A  35  ARG  A  35  .  ?        ?  
1020  13  1  A  36  ALA  A  36  .  ?        ?  
1021  13  1  A  37  ALA  A  37  .  ?        ?  
1022  13  1  A  38  LEU  A  38  .  ?        ?  
1023  13  1  A  39  GLN  A  39  .  ?        ?  
1024  13  1  A  40  ALA  A  40  .  ?        ?  
1025  13  1  A  41  LEU  A  41  .  ?        ?  
1026  13  1  A  42  GLY  A  42  .  ?        ?  
1027  13  1  A  43  VAL  A  43  .  ?        ?  
1028  13  1  A  44  ALA  A  44  .  ?        ?  
1029  13  1  A  45  GLU  A  45  .  ?        ?  
1030  13  1  A  46  GLY  A  46  .  ?        ?  
1031  13  1  A  47  GLY  A  47  .  ?        ?  
1032  13  1  A  48  GLU  A  48  .  ?        ?  
1033  13  1  A  49  ARG  A  49  .  ?        ?  
1034  13  1  A  50  CYS  A  50  .  ?        1  
1035  13  1  A  51  PRO  A  51  .  ?        ?  
1036  13  1  A  52  GLN  A  52  .  ?        1  
1037  13  1  A  53  SER  A  53  .  ?        ?  
1038  13  1  A  54  VAL  A  54  .  ?        ?  
1039  13  1  A  55  GLY  A  55  .  ?        ?  
1040  13  1  A  56  TRP  A  56  .  ?        ?  
1041  13  1  A  57  MET  A  57  .  ?        2  
1042  13  1  A  58  PRO  A  58  .  ?        ?  
1043  13  1  A  59  GLY  A  59  .  ?        ?  
1044  13  1  A  60  LEU  A  60  .  ?        ?  
1045  13  1  A  61  ASN  A  61  .  ?        ?  
1046  13  1  A  62  GLU  A  62  .  ?        ?  
1047  13  1  A  63  ARG  A  63  .  ?        ?  
1048  13  1  A  64  THR  A  64  .  ?        ?  
1049  13  1  A  65  ARG  A  65  .  ?        ?  
1050  13  1  A  66  GLN  A  66  .  ?        ?  
1051  13  1  A  67  ARG  A  67  .  ?        ?  
1052  13  1  A  68  GLY  A  68  .  ?        ?  
1053  13  1  A  69  ASP  A  69  .  ?        ?  
1054  13  1  A  70  PHE  A  70  .  ?        ?  
1055  13  1  A  71  PRO  A  71  .  ?        ?  
1056  13  1  A  72  GLY  A  72  .  ?        ?  
1057  13  1  A  73  THR  A  73  .  ?        ?  
1058  13  1  A  74  TYR  A  74  .  ?        ?  
1059  13  1  A  75  VAL  A  75  .  ?        ?  
1060  13  1  A  76  GLU  A  76  .  ?        ?  
1061  13  1  A  77  PHE  A  77  .  ?        ?  
1062  13  1  A  78  LEU  A  78  .  ?        ?  
1063  13  1  A  79  GLY  A  79  .  ?        ?  
1064  13  1  A  80  PRO  A  80  .  ?        ?  
1065  13  1  A  81  LEU  A  81  .  ?        ?  
1066  13  1  A  82  GLU  A  82  .  ?        ?  
1067  14  1  A   1  MET  A   1  .  ?        ?  
1068  14  1  A   2  ALA  A   2  .  ?        ?  
1069  14  1  A   3  GLY  A   3  .  ?        ?  
1070  14  1  A   4  PRO  A   4  .  ?        ?  
1071  14  1  A   5  GLU  A   5  .  ?        ?  
1072  14  1  A   6  GLY  A   6  .  ?        ?  
1073  14  1  A   7  PHE  A   7  .  ?        ?  
1074  14  1  A   8  GLN  A   8  .  ?        ?  
1075  14  1  A   9  TYR  A   9  .  ?        ?  
1076  14  1  A  10  ARG  A  10  .  ?        ?  
1077  14  1  A  11  ALA  A  11  .  ?        ?  
1078  14  1  A  12  LEU  A  12  .  ?        ?  
1079  14  1  A  13  TYR  A  13  .  ?        ?  
1080  14  1  A  14  PRO  A  14  .  ?        1  
1081  14  1  A  15  PHE  A  15  .  ?        ?  
1082  14  1  A  16  ARG  A  16  .  ?        ?  
1083  14  1  A  17  ARG  A  17  .  ?        ?  
1084  14  1  A  18  GLU  A  18  .  ?        ?  
1085  14  1  A  19  ARG  A  19  .  ?        ?  
1086  14  1  A  20  PRO  A  20  .  ?        ?  
1087  14  1  A  21  GLU  A  21  .  ?        ?  
1088  14  1  A  22  ASP  A  22  .  ?        ?  
1089  14  1  A  23  LEU  A  23  .  ?        ?  
1090  14  1  A  24  GLU  A  24  .  ?        ?  
1091  14  1  A  25  LEU  A  25  .  ?        1  
1092  14  1  A  26  LEU  A  26  .  ?        ?  
1093  14  1  A  27  PRO  A  27  .  ?        ?  
1094  14  1  A  28  GLY  A  28  .  ?        ?  
1095  14  1  A  29  ASP  A  29  .  ?        ?  
1096  14  1  A  30  VAL  A  30  .  ?        ?  
1097  14  1  A  31  LEU  A  31  .  ?        2  
1098  14  1  A  32  VAL  A  32  .  ?        ?  
1099  14  1  A  33  VAL  A  33  .  ?        ?  
1100  14  1  A  34  SER  A  34  .  ?        ?  
1101  14  1  A  35  ARG  A  35  .  ?        ?  
1102  14  1  A  36  ALA  A  36  .  ?        ?  
1103  14  1  A  37  ALA  A  37  .  ?        ?  
1104  14  1  A  38  LEU  A  38  .  ?        ?  
1105  14  1  A  39  GLN  A  39  .  ?        ?  
1106  14  1  A  40  ALA  A  40  .  ?        ?  
1107  14  1  A  41  LEU  A  41  .  ?        ?  
1108  14  1  A  42  GLY  A  42  .  ?        ?  
1109  14  1  A  43  VAL  A  43  .  ?        ?  
1110  14  1  A  44  ALA  A  44  .  ?        ?  
1111  14  1  A  45  GLU  A  45  .  ?        ?  
1112  14  1  A  46  GLY  A  46  .  ?        ?  
1113  14  1  A  47  GLY  A  47  .  ?        ?  
1114  14  1  A  48  GLU  A  48  .  ?        ?  
1115  14  1  A  49  ARG  A  49  .  ?        ?  
1116  14  1  A  50  CYS  A  50  .  ?        1  
1117  14  1  A  51  PRO  A  51  .  ?        ?  
1118  14  1  A  52  GLN  A  52  .  ?        ?  
1119  14  1  A  53  SER  A  53  .  ?        1  
1120  14  1  A  54  VAL  A  54  .  ?        ?  
1121  14  1  A  55  GLY  A  55  .  ?        ?  
1122  14  1  A  56  TRP  A  56  .  ?        ?  
1123  14  1  A  57  MET  A  57  .  ?        ?  
1124  14  1  A  58  PRO  A  58  .  ?        ?  
1125  14  1  A  59  GLY  A  59  .  ?        ?  
1126  14  1  A  60  LEU  A  60  .  ?        ?  
1127  14  1  A  61  ASN  A  61  .  ?        ?  
1128  14  1  A  62  GLU  A  62  .  ?        ?  
1129  14  1  A  63  ARG  A  63  .  ?        ?  
1130  14  1  A  64  THR  A  64  .  ?        ?  
1131  14  1  A  65  ARG  A  65  .  ?        ?  
1132  14  1  A  66  GLN  A  66  .  ?        ?  
1133  14  1  A  67  ARG  A  67  .  ?        ?  
1134  14  1  A  68  GLY  A  68  .  ?        ?  
1135  14  1  A  69  ASP  A  69  .  ?        ?  
1136  14  1  A  70  PHE  A  70  .  ?        ?  
1137  14  1  A  71  PRO  A  71  .  ?        ?  
1138  14  1  A  72  GLY  A  72  .  ?        ?  
1139  14  1  A  73  THR  A  73  .  ?        ?  
1140  14  1  A  74  TYR  A  74  .  ?        ?  
1141  14  1  A  75  VAL  A  75  .  ?        ?  
1142  14  1  A  76  GLU  A  76  .  ?        ?  
1143  14  1  A  77  PHE  A  77  .  ?        ?  
1144  14  1  A  78  LEU  A  78  .  ?        ?  
1145  14  1  A  79  GLY  A  79  .  ?        ?  
1146  14  1  A  80  PRO  A  80  .  ?        ?  
1147  14  1  A  81  LEU  A  81  .  ?        ?  
1148  14  1  A  82  GLU  A  82  .  ?        ?  
1149  15  1  A   1  MET  A   1  .  ?        ?  
1150  15  1  A   2  ALA  A   2  .  ?        ?  
1151  15  1  A   3  GLY  A   3  .  ?        ?  
1152  15  1  A   4  PRO  A   4  .  ?        ?  
1153  15  1  A   5  GLU  A   5  .  ?        ?  
1154  15  1  A   6  GLY  A   6  .  ?        ?  
1155  15  1  A   7  PHE  A   7  .  ?        ?  
1156  15  1  A   8  GLN  A   8  .  ?        ?  
1157  15  1  A   9  TYR  A   9  .  ?        ?  
1158  15  1  A  10  ARG  A  10  .  ?        ?  
1159  15  1  A  11  ALA  A  11  .  ?        ?  
1160  15  1  A  12  LEU  A  12  .  ?        ?  
1161  15  1  A  13  TYR  A  13  .  ?        ?  
1162  15  1  A  14  PRO  A  14  .  ?        1  
1163  15  1  A  15  PHE  A  15  .  ?        ?  
1164  15  1  A  16  ARG  A  16  .  ?        ?  
1165  15  1  A  17  ARG  A  17  .  ?        ?  
1166  15  1  A  18  GLU  A  18  .  ?        ?  
1167  15  1  A  19  ARG  A  19  .  ?        ?  
1168  15  1  A  20  PRO  A  20  .  ?        ?  
1169  15  1  A  21  GLU  A  21  .  ?        ?  
1170  15  1  A  22  ASP  A  22  .  ?        ?  
1171  15  1  A  23  LEU  A  23  .  ?        ?  
1172  15  1  A  24  GLU  A  24  .  ?        ?  
1173  15  1  A  25  LEU  A  25  .  ?        1  
1174  15  1  A  26  LEU  A  26  .  ?        ?  
1175  15  1  A  27  PRO  A  27  .  ?        ?  
1176  15  1  A  28  GLY  A  28  .  ?        ?  
1177  15  1  A  29  ASP  A  29  .  ?        ?  
1178  15  1  A  30  VAL  A  30  .  ?        ?  
1179  15  1  A  31  LEU  A  31  .  ?        ?  
1180  15  1  A  32  VAL  A  32  .  ?        ?  
1181  15  1  A  33  VAL  A  33  .  ?        ?  
1182  15  1  A  34  SER  A  34  .  ?        ?  
1183  15  1  A  35  ARG  A  35  .  ?        ?  
1184  15  1  A  36  ALA  A  36  .  ?        ?  
1185  15  1  A  37  ALA  A  37  .  ?        ?  
1186  15  1  A  38  LEU  A  38  .  ?        ?  
1187  15  1  A  39  GLN  A  39  .  ?        ?  
1188  15  1  A  40  ALA  A  40  .  ?        ?  
1189  15  1  A  41  LEU  A  41  .  ?        ?  
1190  15  1  A  42  GLY  A  42  .  ?        ?  
1191  15  1  A  43  VAL  A  43  .  ?        ?  
1192  15  1  A  44  ALA  A  44  .  ?        ?  
1193  15  1  A  45  GLU  A  45  .  ?        ?  
1194  15  1  A  46  GLY  A  46  .  ?        ?  
1195  15  1  A  47  GLY  A  47  .  ?        ?  
1196  15  1  A  48  GLU  A  48  .  ?        ?  
1197  15  1  A  49  ARG  A  49  .  ?        ?  
1198  15  1  A  50  CYS  A  50  .  ?        ?  
1199  15  1  A  51  PRO  A  51  .  ?        ?  
1200  15  1  A  52  GLN  A  52  .  ?        ?  
1201  15  1  A  53  SER  A  53  .  ?        ?  
1202  15  1  A  54  VAL  A  54  .  ?        ?  
1203  15  1  A  55  GLY  A  55  .  ?        ?  
1204  15  1  A  56  TRP  A  56  .  ?        ?  
1205  15  1  A  57  MET  A  57  .  ?        ?  
1206  15  1  A  58  PRO  A  58  .  ?        ?  
1207  15  1  A  59  GLY  A  59  .  ?        ?  
1208  15  1  A  60  LEU  A  60  .  ?        ?  
1209  15  1  A  61  ASN  A  61  .  ?        ?  
1210  15  1  A  62  GLU  A  62  .  ?        ?  
1211  15  1  A  63  ARG  A  63  .  ?        ?  
1212  15  1  A  64  THR  A  64  .  ?        ?  
1213  15  1  A  65  ARG  A  65  .  ?        ?  
1214  15  1  A  66  GLN  A  66  .  ?        ?  
1215  15  1  A  67  ARG  A  67  .  ?        ?  
1216  15  1  A  68  GLY  A  68  .  ?        ?  
1217  15  1  A  69  ASP  A  69  .  ?        ?  
1218  15  1  A  70  PHE  A  70  .  ?        ?  
1219  15  1  A  71  PRO  A  71  .  ?        ?  
1220  15  1  A  72  GLY  A  72  .  ?        ?  
1221  15  1  A  73  THR  A  73  .  ?        ?  
1222  15  1  A  74  TYR  A  74  .  ?        ?  
1223  15  1  A  75  VAL  A  75  .  ?        ?  
1224  15  1  A  76  GLU  A  76  .  ?        ?  
1225  15  1  A  77  PHE  A  77  .  ?        ?  
1226  15  1  A  78  LEU  A  78  .  ?        ?  
1227  15  1  A  79  GLY  A  79  .  ?        ?  
1228  15  1  A  80  PRO  A  80  .  ?        ?  
1229  15  1  A  81  LEU  A  81  .  ?        ?  
1230  15  1  A  82  GLU  A  82  .  ?        ?  
1231  16  1  A   1  MET  A   1  .  ?        2  
1232  16  1  A   2  ALA  A   2  .  ?        ?  
1233  16  1  A   3  GLY  A   3  .  ?        ?  
1234  16  1  A   4  PRO  A   4  .  ?        ?  
1235  16  1  A   5  GLU  A   5  .  ?        ?  
1236  16  1  A   6  GLY  A   6  .  ?        ?  
1237  16  1  A   7  PHE  A   7  .  ?        ?  
1238  16  1  A   8  GLN  A   8  .  ?        ?  
1239  16  1  A   9  TYR  A   9  .  ?        ?  
1240  16  1  A  10  ARG  A  10  .  ?        ?  
1241  16  1  A  11  ALA  A  11  .  ?        ?  
1242  16  1  A  12  LEU  A  12  .  ?        ?  
1243  16  1  A  13  TYR  A  13  .  ?        ?  
1244  16  1  A  14  PRO  A  14  .  ?        ?  
1245  16  1  A  15  PHE  A  15  .  ?        ?  
1246  16  1  A  16  ARG  A  16  .  ?        ?  
1247  16  1  A  17  ARG  A  17  .  ?        ?  
1248  16  1  A  18  GLU  A  18  .  ?        ?  
1249  16  1  A  19  ARG  A  19  .  ?        ?  
1250  16  1  A  20  PRO  A  20  .  ?        ?  
1251  16  1  A  21  GLU  A  21  .  ?        ?  
1252  16  1  A  22  ASP  A  22  .  ?        ?  
1253  16  1  A  23  LEU  A  23  .  ?        ?  
1254  16  1  A  24  GLU  A  24  .  ?        ?  
1255  16  1  A  25  LEU  A  25  .  ?        1  
1256  16  1  A  26  LEU  A  26  .  ?        ?  
1257  16  1  A  27  PRO  A  27  .  ?        ?  
1258  16  1  A  28  GLY  A  28  .  ?        ?  
1259  16  1  A  29  ASP  A  29  .  ?        ?  
1260  16  1  A  30  VAL  A  30  .  ?        ?  
1261  16  1  A  31  LEU  A  31  .  ?        ?  
1262  16  1  A  32  VAL  A  32  .  ?        ?  
1263  16  1  A  33  VAL  A  33  .  ?        ?  
1264  16  1  A  34  SER  A  34  .  ?        ?  
1265  16  1  A  35  ARG  A  35  .  ?        ?  
1266  16  1  A  36  ALA  A  36  .  ?        ?  
1267  16  1  A  37  ALA  A  37  .  ?        ?  
1268  16  1  A  38  LEU  A  38  .  ?        ?  
1269  16  1  A  39  GLN  A  39  .  ?        ?  
1270  16  1  A  40  ALA  A  40  .  ?        ?  
1271  16  1  A  41  LEU  A  41  .  ?        ?  
1272  16  1  A  42  GLY  A  42  .  ?        ?  
1273  16  1  A  43  VAL  A  43  .  ?        ?  
1274  16  1  A  44  ALA  A  44  .  ?        ?  
1275  16  1  A  45  GLU  A  45  .  ?        ?  
1276  16  1  A  46  GLY  A  46  .  ?        ?  
1277  16  1  A  47  GLY  A  47  .  ?        ?  
1278  16  1  A  48  GLU  A  48  .  ?        ?  
1279  16  1  A  49  ARG  A  49  .  ?        ?  
1280  16  1  A  50  CYS  A  50  .  ?        ?  
1281  16  1  A  51  PRO  A  51  .  ?        ?  
1282  16  1  A  52  GLN  A  52  .  ?        ?  
1283  16  1  A  53  SER  A  53  .  ?        ?  
1284  16  1  A  54  VAL  A  54  .  ?        ?  
1285  16  1  A  55  GLY  A  55  .  ?        ?  
1286  16  1  A  56  TRP  A  56  .  ?        ?  
1287  16  1  A  57  MET  A  57  .  ?        ?  
1288  16  1  A  58  PRO  A  58  .  ?        ?  
1289  16  1  A  59  GLY  A  59  .  ?        ?  
1290  16  1  A  60  LEU  A  60  .  ?        ?  
1291  16  1  A  61  ASN  A  61  .  ?        ?  
1292  16  1  A  62  GLU  A  62  .  ?        ?  
1293  16  1  A  63  ARG  A  63  .  ?        ?  
1294  16  1  A  64  THR  A  64  .  ?        ?  
1295  16  1  A  65  ARG  A  65  .  ?        ?  
1296  16  1  A  66  GLN  A  66  .  ?        ?  
1297  16  1  A  67  ARG  A  67  .  ?        ?  
1298  16  1  A  68  GLY  A  68  .  ?        ?  
1299  16  1  A  69  ASP  A  69  .  ?        ?  
1300  16  1  A  70  PHE  A  70  .  ?        ?  
1301  16  1  A  71  PRO  A  71  .  ?        ?  
1302  16  1  A  72  GLY  A  72  .  ?        ?  
1303  16  1  A  73  THR  A  73  .  ?        ?  
1304  16  1  A  74  TYR  A  74  .  ?        1  
1305  16  1  A  75  VAL  A  75  .  ?        ?  
1306  16  1  A  76  GLU  A  76  .  ?        ?  
1307  16  1  A  77  PHE  A  77  .  ?        ?  
1308  16  1  A  78  LEU  A  78  .  ?        ?  
1309  16  1  A  79  GLY  A  79  .  ?        ?  
1310  16  1  A  80  PRO  A  80  .  ?        ?  
1311  16  1  A  81  LEU  A  81  .  ?        ?  
1312  16  1  A  82  GLU  A  82  .  ?        ?  
1313  17  1  A   1  MET  A   1  .  ?        ?  
1314  17  1  A   2  ALA  A   2  .  ?        ?  
1315  17  1  A   3  GLY  A   3  .  ?        ?  
1316  17  1  A   4  PRO  A   4  .  ?        ?  
1317  17  1  A   5  GLU  A   5  .  ?        ?  
1318  17  1  A   6  GLY  A   6  .  ?        ?  
1319  17  1  A   7  PHE  A   7  .  ?        ?  
1320  17  1  A   8  GLN  A   8  .  ?        ?  
1321  17  1  A   9  TYR  A   9  .  ?        ?  
1322  17  1  A  10  ARG  A  10  .  ?        ?  
1323  17  1  A  11  ALA  A  11  .  ?        ?  
1324  17  1  A  12  LEU  A  12  .  ?        ?  
1325  17  1  A  13  TYR  A  13  .  ?        ?  
1326  17  1  A  14  PRO  A  14  .  ?        ?  
1327  17  1  A  15  PHE  A  15  .  ?        ?  
1328  17  1  A  16  ARG  A  16  .  ?        ?  
1329  17  1  A  17  ARG  A  17  .  ?        1  
1330  17  1  A  18  GLU  A  18  .  ?        ?  
1331  17  1  A  19  ARG  A  19  .  ?        ?  
1332  17  1  A  20  PRO  A  20  .  ?        ?  
1333  17  1  A  21  GLU  A  21  .  ?        ?  
1334  17  1  A  22  ASP  A  22  .  ?        1  
1335  17  1  A  23  LEU  A  23  .  ?        1  
1336  17  1  A  24  GLU  A  24  .  ?        ?  
1337  17  1  A  25  LEU  A  25  .  ?        ?  
1338  17  1  A  26  LEU  A  26  .  ?        ?  
1339  17  1  A  27  PRO  A  27  .  ?        ?  
1340  17  1  A  28  GLY  A  28  .  ?        ?  
1341  17  1  A  29  ASP  A  29  .  ?        ?  
1342  17  1  A  30  VAL  A  30  .  ?        ?  
1343  17  1  A  31  LEU  A  31  .  ?        ?  
1344  17  1  A  32  VAL  A  32  .  ?        ?  
1345  17  1  A  33  VAL  A  33  .  ?        ?  
1346  17  1  A  34  SER  A  34  .  ?        ?  
1347  17  1  A  35  ARG  A  35  .  ?        ?  
1348  17  1  A  36  ALA  A  36  .  ?        ?  
1349  17  1  A  37  ALA  A  37  .  ?        ?  
1350  17  1  A  38  LEU  A  38  .  ?        ?  
1351  17  1  A  39  GLN  A  39  .  ?        ?  
1352  17  1  A  40  ALA  A  40  .  ?        ?  
1353  17  1  A  41  LEU  A  41  .  ?        ?  
1354  17  1  A  42  GLY  A  42  .  ?        ?  
1355  17  1  A  43  VAL  A  43  .  ?        ?  
1356  17  1  A  44  ALA  A  44  .  ?        ?  
1357  17  1  A  45  GLU  A  45  .  ?        ?  
1358  17  1  A  46  GLY  A  46  .  ?        ?  
1359  17  1  A  47  GLY  A  47  .  ?        ?  
1360  17  1  A  48  GLU  A  48  .  ?        ?  
1361  17  1  A  49  ARG  A  49  .  ?        ?  
1362  17  1  A  50  CYS  A  50  .  ?        ?  
1363  17  1  A  51  PRO  A  51  .  ?        ?  
1364  17  1  A  52  GLN  A  52  .  ?        ?  
1365  17  1  A  53  SER  A  53  .  ?        ?  
1366  17  1  A  54  VAL  A  54  .  ?        ?  
1367  17  1  A  55  GLY  A  55  .  ?        ?  
1368  17  1  A  56  TRP  A  56  .  ?        ?  
1369  17  1  A  57  MET  A  57  .  ?        ?  
1370  17  1  A  58  PRO  A  58  .  ?        ?  
1371  17  1  A  59  GLY  A  59  .  ?        ?  
1372  17  1  A  60  LEU  A  60  .  ?        ?  
1373  17  1  A  61  ASN  A  61  .  ?        ?  
1374  17  1  A  62  GLU  A  62  .  ?        ?  
1375  17  1  A  63  ARG  A  63  .  ?        ?  
1376  17  1  A  64  THR  A  64  .  ?        ?  
1377  17  1  A  65  ARG  A  65  .  ?        ?  
1378  17  1  A  66  GLN  A  66  .  ?        ?  
1379  17  1  A  67  ARG  A  67  .  ?        ?  
1380  17  1  A  68  GLY  A  68  .  ?        1  
1381  17  1  A  69  ASP  A  69  .  ?        ?  
1382  17  1  A  70  PHE  A  70  .  ?        ?  
1383  17  1  A  71  PRO  A  71  .  ?        ?  
1384  17  1  A  72  GLY  A  72  .  ?        ?  
1385  17  1  A  73  THR  A  73  .  ?        ?  
1386  17  1  A  74  TYR  A  74  .  ?        ?  
1387  17  1  A  75  VAL  A  75  .  ?        ?  
1388  17  1  A  76  GLU  A  76  .  ?        ?  
1389  17  1  A  77  PHE  A  77  .  ?        ?  
1390  17  1  A  78  LEU  A  78  .  ?        ?  
1391  17  1  A  79  GLY  A  79  .  ?        ?  
1392  17  1  A  80  PRO  A  80  .  ?        ?  
1393  17  1  A  81  LEU  A  81  .  ?        2  
1394  17  1  A  82  GLU  A  82  .  ?        ?  
1395  18  1  A   1  MET  A   1  .  ?        ?  
1396  18  1  A   2  ALA  A   2  .  ?        ?  
1397  18  1  A   3  GLY  A   3  .  ?        ?  
1398  18  1  A   4  PRO  A   4  .  ?        ?  
1399  18  1  A   5  GLU  A   5  .  ?        ?  
1400  18  1  A   6  GLY  A   6  .  ?        1  
1401  18  1  A   7  PHE  A   7  .  ?        ?  
1402  18  1  A   8  GLN  A   8  .  ?        ?  
1403  18  1  A   9  TYR  A   9  .  ?        ?  
1404  18  1  A  10  ARG  A  10  .  ?        ?  
1405  18  1  A  11  ALA  A  11  .  ?        ?  
1406  18  1  A  12  LEU  A  12  .  ?        ?  
1407  18  1  A  13  TYR  A  13  .  ?        ?  
1408  18  1  A  14  PRO  A  14  .  ?        1  
1409  18  1  A  15  PHE  A  15  .  ?        ?  
1410  18  1  A  16  ARG  A  16  .  ?        ?  
1411  18  1  A  17  ARG  A  17  .  ?        ?  
1412  18  1  A  18  GLU  A  18  .  ?        ?  
1413  18  1  A  19  ARG  A  19  .  ?        ?  
1414  18  1  A  20  PRO  A  20  .  ?        ?  
1415  18  1  A  21  GLU  A  21  .  ?        ?  
1416  18  1  A  22  ASP  A  22  .  ?        ?  
1417  18  1  A  23  LEU  A  23  .  ?        ?  
1418  18  1  A  24  GLU  A  24  .  ?        ?  
1419  18  1  A  25  LEU  A  25  .  ?        1  
1420  18  1  A  26  LEU  A  26  .  ?        ?  
1421  18  1  A  27  PRO  A  27  .  ?        ?  
1422  18  1  A  28  GLY  A  28  .  ?        ?  
1423  18  1  A  29  ASP  A  29  .  ?        ?  
1424  18  1  A  30  VAL  A  30  .  ?        ?  
1425  18  1  A  31  LEU  A  31  .  ?        ?  
1426  18  1  A  32  VAL  A  32  .  ?        ?  
1427  18  1  A  33  VAL  A  33  .  ?        1  
1428  18  1  A  34  SER  A  34  .  ?        ?  
1429  18  1  A  35  ARG  A  35  .  ?        ?  
1430  18  1  A  36  ALA  A  36  .  ?        ?  
1431  18  1  A  37  ALA  A  37  .  ?        ?  
1432  18  1  A  38  LEU  A  38  .  ?        ?  
1433  18  1  A  39  GLN  A  39  .  ?        ?  
1434  18  1  A  40  ALA  A  40  .  ?        ?  
1435  18  1  A  41  LEU  A  41  .  ?        1  
1436  18  1  A  42  GLY  A  42  .  ?        ?  
1437  18  1  A  43  VAL  A  43  .  ?        ?  
1438  18  1  A  44  ALA  A  44  .  ?        ?  
1439  18  1  A  45  GLU  A  45  .  ?        ?  
1440  18  1  A  46  GLY  A  46  .  ?        ?  
1441  18  1  A  47  GLY  A  47  .  ?        ?  
1442  18  1  A  48  GLU  A  48  .  ?        1  
1443  18  1  A  49  ARG  A  49  .  ?        1  
1444  18  1  A  50  CYS  A  50  .  ?        ?  
1445  18  1  A  51  PRO  A  51  .  ?        ?  
1446  18  1  A  52  GLN  A  52  .  ?        1  
1447  18  1  A  53  SER  A  53  .  ?        ?  
1448  18  1  A  54  VAL  A  54  .  ?        ?  
1449  18  1  A  55  GLY  A  55  .  ?        ?  
1450  18  1  A  56  TRP  A  56  .  ?        ?  
1451  18  1  A  57  MET  A  57  .  ?        ?  
1452  18  1  A  58  PRO  A  58  .  ?        1  
1453  18  1  A  59  GLY  A  59  .  ?        ?  
1454  18  1  A  60  LEU  A  60  .  ?        ?  
1455  18  1  A  61  ASN  A  61  .  ?        ?  
1456  18  1  A  62  GLU  A  62  .  ?        ?  
1457  18  1  A  63  ARG  A  63  .  ?        ?  
1458  18  1  A  64  THR  A  64  .  ?        ?  
1459  18  1  A  65  ARG  A  65  .  ?        ?  
1460  18  1  A  66  GLN  A  66  .  ?        ?  
1461  18  1  A  67  ARG  A  67  .  ?        ?  
1462  18  1  A  68  GLY  A  68  .  ?        ?  
1463  18  1  A  69  ASP  A  69  .  ?        ?  
1464  18  1  A  70  PHE  A  70  .  ?        ?  
1465  18  1  A  71  PRO  A  71  .  ?        ?  
1466  18  1  A  72  GLY  A  72  .  ?        ?  
1467  18  1  A  73  THR  A  73  .  ?        1  
1468  18  1  A  74  TYR  A  74  .  ?        ?  
1469  18  1  A  75  VAL  A  75  .  ?        ?  
1470  18  1  A  76  GLU  A  76  .  ?        ?  
1471  18  1  A  77  PHE  A  77  .  ?        ?  
1472  18  1  A  78  LEU  A  78  .  ?        ?  
1473  18  1  A  79  GLY  A  79  .  ?        ?  
1474  18  1  A  80  PRO  A  80  .  ?        ?  
1475  18  1  A  81  LEU  A  81  .  ?        ?  
1476  18  1  A  82  GLU  A  82  .  ?        ?  
1477  19  1  A   1  MET  A   1  .  ?        ?  
1478  19  1  A   2  ALA  A   2  .  ?        ?  
1479  19  1  A   3  GLY  A   3  .  ?        ?  
1480  19  1  A   4  PRO  A   4  .  ?        ?  
1481  19  1  A   5  GLU  A   5  .  ?        ?  
1482  19  1  A   6  GLY  A   6  .  ?        1  
1483  19  1  A   7  PHE  A   7  .  ?        ?  
1484  19  1  A   8  GLN  A   8  .  ?        ?  
1485  19  1  A   9  TYR  A   9  .  ?        ?  
1486  19  1  A  10  ARG  A  10  .  ?        ?  
1487  19  1  A  11  ALA  A  11  .  ?        ?  
1488  19  1  A  12  LEU  A  12  .  ?        ?  
1489  19  1  A  13  TYR  A  13  .  ?        ?  
1490  19  1  A  14  PRO  A  14  .  ?        1  
1491  19  1  A  15  PHE  A  15  .  ?        ?  
1492  19  1  A  16  ARG  A  16  .  ?        ?  
1493  19  1  A  17  ARG  A  17  .  ?        ?  
1494  19  1  A  18  GLU  A  18  .  ?        ?  
1495  19  1  A  19  ARG  A  19  .  ?        ?  
1496  19  1  A  20  PRO  A  20  .  ?        ?  
1497  19  1  A  21  GLU  A  21  .  ?        ?  
1498  19  1  A  22  ASP  A  22  .  ?        ?  
1499  19  1  A  23  LEU  A  23  .  ?        ?  
1500  19  1  A  24  GLU  A  24  .  ?        ?  
1501  19  1  A  25  LEU  A  25  .  ?        1  
1502  19  1  A  26  LEU  A  26  .  ?        ?  
1503  19  1  A  27  PRO  A  27  .  ?        ?  
1504  19  1  A  28  GLY  A  28  .  ?        ?  
1505  19  1  A  29  ASP  A  29  .  ?        ?  
1506  19  1  A  30  VAL  A  30  .  ?        ?  
1507  19  1  A  31  LEU  A  31  .  ?        ?  
1508  19  1  A  32  VAL  A  32  .  ?        ?  
1509  19  1  A  33  VAL  A  33  .  ?        1  
1510  19  1  A  34  SER  A  34  .  ?        ?  
1511  19  1  A  35  ARG  A  35  .  ?        ?  
1512  19  1  A  36  ALA  A  36  .  ?        ?  
1513  19  1  A  37  ALA  A  37  .  ?        ?  
1514  19  1  A  38  LEU  A  38  .  ?        ?  
1515  19  1  A  39  GLN  A  39  .  ?        ?  
1516  19  1  A  40  ALA  A  40  .  ?        ?  
1517  19  1  A  41  LEU  A  41  .  ?        ?  
1518  19  1  A  42  GLY  A  42  .  ?        ?  
1519  19  1  A  43  VAL  A  43  .  ?        ?  
1520  19  1  A  44  ALA  A  44  .  ?        ?  
1521  19  1  A  45  GLU  A  45  .  ?        ?  
1522  19  1  A  46  GLY  A  46  .  ?        ?  
1523  19  1  A  47  GLY  A  47  .  ?        ?  
1524  19  1  A  48  GLU  A  48  .  ?        ?  
1525  19  1  A  49  ARG  A  49  .  ?        ?  
1526  19  1  A  50  CYS  A  50  .  ?        ?  
1527  19  1  A  51  PRO  A  51  .  ?        ?  
1528  19  1  A  52  GLN  A  52  .  ?        1  
1529  19  1  A  53  SER  A  53  .  ?        ?  
1530  19  1  A  54  VAL  A  54  .  ?        ?  
1531  19  1  A  55  GLY  A  55  .  ?        ?  
1532  19  1  A  56  TRP  A  56  .  ?        ?  
1533  19  1  A  57  MET  A  57  .  ?        ?  
1534  19  1  A  58  PRO  A  58  .  ?        ?  
1535  19  1  A  59  GLY  A  59  .  ?        ?  
1536  19  1  A  60  LEU  A  60  .  ?        ?  
1537  19  1  A  61  ASN  A  61  .  ?        ?  
1538  19  1  A  62  GLU  A  62  .  ?        ?  
1539  19  1  A  63  ARG  A  63  .  ?        ?  
1540  19  1  A  64  THR  A  64  .  ?        ?  
1541  19  1  A  65  ARG  A  65  .  ?        ?  
1542  19  1  A  66  GLN  A  66  .  ?        ?  
1543  19  1  A  67  ARG  A  67  .  ?        ?  
1544  19  1  A  68  GLY  A  68  .  ?        ?  
1545  19  1  A  69  ASP  A  69  .  ?        ?  
1546  19  1  A  70  PHE  A  70  .  ?        ?  
1547  19  1  A  71  PRO  A  71  .  ?        ?  
1548  19  1  A  72  GLY  A  72  .  ?        1  
1549  19  1  A  73  THR  A  73  .  ?        1  
1550  19  1  A  74  TYR  A  74  .  ?        ?  
1551  19  1  A  75  VAL  A  75  .  ?        1  
1552  19  1  A  76  GLU  A  76  .  ?        ?  
1553  19  1  A  77  PHE  A  77  .  ?        ?  
1554  19  1  A  78  LEU  A  78  .  ?        ?  
1555  19  1  A  79  GLY  A  79  .  ?        ?  
1556  19  1  A  80  PRO  A  80  .  ?        ?  
1557  19  1  A  81  LEU  A  81  .  ?        ?  
1558  19  1  A  82  GLU  A  82  .  ?        ?  
1559  20  1  A   1  MET  A   1  .  ?        ?  
1560  20  1  A   2  ALA  A   2  .  ?        ?  
1561  20  1  A   3  GLY  A   3  .  ?        ?  
1562  20  1  A   4  PRO  A   4  .  ?        ?  
1563  20  1  A   5  GLU  A   5  .  ?        ?  
1564  20  1  A   6  GLY  A   6  .  ?        ?  
1565  20  1  A   7  PHE  A   7  .  ?        ?  
1566  20  1  A   8  GLN  A   8  .  ?        ?  
1567  20  1  A   9  TYR  A   9  .  ?        ?  
1568  20  1  A  10  ARG  A  10  .  ?        ?  
1569  20  1  A  11  ALA  A  11  .  ?        ?  
1570  20  1  A  12  LEU  A  12  .  ?        ?  
1571  20  1  A  13  TYR  A  13  .  ?        ?  
1572  20  1  A  14  PRO  A  14  .  ?        ?  
1573  20  1  A  15  PHE  A  15  .  ?        ?  
1574  20  1  A  16  ARG  A  16  .  ?        ?  
1575  20  1  A  17  ARG  A  17  .  ?        ?  
1576  20  1  A  18  GLU  A  18  .  ?        ?  
1577  20  1  A  19  ARG  A  19  .  ?        ?  
1578  20  1  A  20  PRO  A  20  .  ?        ?  
1579  20  1  A  21  GLU  A  21  .  ?        ?  
1580  20  1  A  22  ASP  A  22  .  ?        ?  
1581  20  1  A  23  LEU  A  23  .  ?        ?  
1582  20  1  A  24  GLU  A  24  .  ?        ?  
1583  20  1  A  25  LEU  A  25  .  ?        ?  
1584  20  1  A  26  LEU  A  26  .  ?        ?  
1585  20  1  A  27  PRO  A  27  .  ?        ?  
1586  20  1  A  28  GLY  A  28  .  ?        ?  
1587  20  1  A  29  ASP  A  29  .  ?        ?  
1588  20  1  A  30  VAL  A  30  .  ?        ?  
1589  20  1  A  31  LEU  A  31  .  ?        2  
1590  20  1  A  32  VAL  A  32  .  ?        ?  
1591  20  1  A  33  VAL  A  33  .  ?        ?  
1592  20  1  A  34  SER  A  34  .  ?        ?  
1593  20  1  A  35  ARG  A  35  .  ?        ?  
1594  20  1  A  36  ALA  A  36  .  ?        ?  
1595  20  1  A  37  ALA  A  37  .  ?        ?  
1596  20  1  A  38  LEU  A  38  .  ?        ?  
1597  20  1  A  39  GLN  A  39  .  ?        ?  
1598  20  1  A  40  ALA  A  40  .  ?        ?  
1599  20  1  A  41  LEU  A  41  .  ?        ?  
1600  20  1  A  42  GLY  A  42  .  ?        ?  
1601  20  1  A  43  VAL  A  43  .  ?        ?  
1602  20  1  A  44  ALA  A  44  .  ?        ?  
1603  20  1  A  45  GLU  A  45  .  ?        ?  
1604  20  1  A  46  GLY  A  46  .  ?        ?  
1605  20  1  A  47  GLY  A  47  .  ?        ?  
1606  20  1  A  48  GLU  A  48  .  ?        ?  
1607  20  1  A  49  ARG  A  49  .  ?        ?  
1608  20  1  A  50  CYS  A  50  .  ?        ?  
1609  20  1  A  51  PRO  A  51  .  ?        ?  
1610  20  1  A  52  GLN  A  52  .  ?        ?  
1611  20  1  A  53  SER  A  53  .  ?        ?  
1612  20  1  A  54  VAL  A  54  .  ?        ?  
1613  20  1  A  55  GLY  A  55  .  ?        ?  
1614  20  1  A  56  TRP  A  56  .  ?        ?  
1615  20  1  A  57  MET  A  57  .  ?        ?  
1616  20  1  A  58  PRO  A  58  .  ?        ?  
1617  20  1  A  59  GLY  A  59  .  ?        ?  
1618  20  1  A  60  LEU  A  60  .  ?        ?  
1619  20  1  A  61  ASN  A  61  .  ?        ?  
1620  20  1  A  62  GLU  A  62  .  ?        ?  
1621  20  1  A  63  ARG  A  63  .  ?        ?  
1622  20  1  A  64  THR  A  64  .  ?        ?  
1623  20  1  A  65  ARG  A  65  .  ?        ?  
1624  20  1  A  66  GLN  A  66  .  ?        ?  
1625  20  1  A  67  ARG  A  67  .  ?        ?  
1626  20  1  A  68  GLY  A  68  .  ?        ?  
1627  20  1  A  69  ASP  A  69  .  ?        ?  
1628  20  1  A  70  PHE  A  70  .  ?        ?  
1629  20  1  A  71  PRO  A  71  .  ?        ?  
1630  20  1  A  72  GLY  A  72  .  ?        ?  
1631  20  1  A  73  THR  A  73  .  ?        ?  
1632  20  1  A  74  TYR  A  74  .  ?        ?  
1633  20  1  A  75  VAL  A  75  .  ?        ?  
1634  20  1  A  76  GLU  A  76  .  ?        ?  
1635  20  1  A  77  PHE  A  77  .  ?        ?  
1636  20  1  A  78  LEU  A  78  .  ?        ?  
1637  20  1  A  79  GLY  A  79  .  ?        ?  
1638  20  1  A  80  PRO  A  80  .  ?        ?  
1639  20  1  A  81  LEU  A  81  .  ?        2  
1640  20  1  A  82  GLU  A  82  .  ?        ?  
#
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  mpp?          ?       ?  ?        11   8  0.58  10  0.28  molprobity     ?  False  
   2     2  ?         -82.9   -42.5  Favored   5   5  0.38   7  0.26  molprobity     ?  False  
   3     3  ?         161.1   177.3  Favored   3   4  0.52   6  0.53  molprobity     ?  False  
   4     4  Cg_exo    -81.2   107.5  Allowed   7   8  0.53  11  0.38  molprobity     ?  False  
   5     5  mm-40     -74.4   -22.9  Favored   6   9  0.44  12  0.43  molprobity     ?  False  
   6     6  ?        -177.1  -152.8  Favored   3   4  0.35   5  0.22  molprobity     1  True   
   7     7  m-85     -141.8   157.8  Favored   9  12  0.41  16  0.20  molprobity     1  True   
   8     8  mt-30    -118.6   132.8  Favored   8   9  0.37  12  0.40  molprobity     1  True   
   9     9  m-85     -111.9   170.8  Favored   9  13  0.35  18  0.22  molprobity     1  True   
  10    10  ttt180   -148.3   121.5  Favored  13  11  1.15  14  0.44  molprobity     1  True   
  11    11  ?         -69.4   125.6  Favored   5   5  0.31   7  0.29  molprobity     1  True   
  12    12  mt        -94.7   -30.3  Favored  11   8  0.39  11  0.25  molprobity     1  True   
  13    13  m-85     -126.9   141.4  Favored   9  13  0.40  19  0.38  molprobity     1  True   
  14    14  Cg_endo   -76.8   119.3  Favored   7   8  0.37  11  0.31  molprobity     1  True   
  15    15  m-85     -136.9   125.9  Favored   9  12  0.38  16  0.24  molprobity     1  True   
  16    16  ttp180    -74.4   148.0  Favored  13  11  1.15  14  0.61  molprobity     ?  False  
  17    17  mtm180    -56.6   115.5  Favored  13  11  1.22  14  0.68  molprobity     ?  False  
  18    18  mt-10     -65.3   -42.6  Favored   6   9  0.27  12  0.53  molprobity     ?  False  
  19    19  mmt180   -125.0   153.6  Favored  13  11  1.17  15  0.74  molprobity     ?  False  
  20    20  Cg_exo    -52.8   -29.9  Favored   7   8  0.49  11  0.28  molprobity     ?  False  
  21    21  pm0       -92.7     5.9  Favored   6   9  0.60  12  0.47  molprobity     ?  False  
  22    22  t70       -91.6   150.2  Favored   4   8  0.34  11  0.48  molprobity     ?  False  
  23    23  tp       -105.6   134.5  Favored  11   8  0.51  11  0.30  molprobity     1  True   
  24    24  tt0       -84.9   145.2  Favored   6   9  0.37  12  0.54  molprobity     1  True   
  25    25  mt       -119.1   127.9  Favored  11   8  0.42  11  0.23  molprobity     1  True   
  26    26  mm?      -123.4   143.4  Favored  11   8  0.61  12  0.46  molprobity     1  True   
  27    27  Cg_endo   -63.0   119.6  Favored   7   8  0.42  11  0.30  molprobity     1  True   
  28    28  ?          97.5   -14.9  Favored   3   4  0.45   5  0.15  molprobity     1  True   
  29    29  t70       -81.4   143.3  Favored   4   8  0.33  11  0.41  molprobity     1  True   
  30    30  t         -96.6   141.2  Favored   9   7  0.38  10  0.54  molprobity     1  True   
  31    31  mp       -118.7   124.0  Favored  11   8  0.43  11  0.23  molprobity     1  True   
  32    32  t         -94.9   124.2  Favored   9   7  0.40  10  0.45  molprobity     1  True   
  33    33  t        -126.3   139.8  Favored   9   7  0.44  10  0.40  molprobity     1  True   
  34    34  t         -93.1   158.3  Favored   5   6  0.47   8  0.30  molprobity     1  True   
  35    35  mmm180    -55.3   -41.2  Favored  13  11  1.24  14  0.63  molprobity     1  True   
  36    36  ?         -53.9   -45.8  Favored   5   5  0.42   7  0.26  molprobity     1  True   
  37    37  ?         -61.1   -51.0  Favored   5   5  0.37   7  0.24  molprobity     1  True   
  38    38  mt        -63.2   -40.6  Favored  11   8  0.42  11  0.18  molprobity     1  True   
  39    39  mm-40     -66.2   -35.8  Favored   8   9  0.41  12  0.26  molprobity     1  True   
  40    40  ?         -62.6   -32.4  Favored   5   5  0.35   7  0.27  molprobity     1  True   
  41    41  mt        -74.0   -22.4  Favored  11   8  0.42  11  0.24  molprobity     1  True   
  42    42  ?          85.6    42.8  Favored   3   4  0.46   5  0.15  molprobity     1  True   
  43    43  t         -85.1   134.8  Favored   9   7  0.37  10  0.41  molprobity     1  True   
  44    44  ?         -71.1   142.3  Favored   5   5  0.29   7  0.17  molprobity     1  True   
  45    45  tp10      -60.9   108.3  Allowed   6   9  0.42  12  0.41  molprobity     1  True   
  46    46  ?         106.6     9.0  Favored   3   4  0.55   5  0.24  molprobity     1  True   
  47    47  ?        -101.3   -29.6  Favored   3   4  0.43   5  0.35  molprobity     1  True   
  48    48  OUTLIER   -56.4   -31.6  Favored   6   9  0.48  12  0.38  molprobity     1  True   
  49    49  ptm180    -57.1   -16.4  Favored  13  11  1.22  14  0.53  molprobity     1  True   
  50    50  m        -117.7    81.5  Favored   5   6  0.39   9  0.51  molprobity     1  True   
  51    51  Cg_endo   -56.6   -36.1  Favored   7   8  0.43  11  0.26  molprobity     1  True   
  52    52  OUTLIER   -61.3   -19.1  Favored   8   9  0.49  12  0.41  molprobity     1  True   
  53    53  t         -82.8   -20.0  Favored   5   6  0.47   8  0.25  molprobity     1  True   
  54    54  t         -95.4   -36.2  Favored   9   7  0.41  10  0.43  molprobity     1  True   
  55    55  ?          95.3  -133.6  Favored   3   4  0.45   5  0.13  molprobity     1  True   
  56    56  OUTLIER   -75.8   129.9  Favored  10  16  0.27  23  0.19  molprobity     1  True   
  57    57  mtm      -131.5   140.4  Favored   9   8  0.44  11  0.52  molprobity     1  True   
  58    58  Cg_endo   -79.5   119.0  Favored   7   8  0.47  11  0.34  molprobity     1  True   
  59    59  ?        -153.3  -174.7  Favored   3   4  0.50   5  0.35  molprobity     1  True   
  60    60  tp       -110.1   130.5  Favored  11   8  0.43  11  0.22  molprobity     1  True   
  61    61  t-20      -97.6   143.6  Favored   6   8  0.43  11  0.24  molprobity     1  True   
  62    62  mm-40     -79.0   -52.3  Favored   6   9  0.41  12  0.41  molprobity     1  True   
  63    63  ttt180    -62.7   -40.5  Favored  13  11  1.23  14  0.61  molprobity     1  True   
  64    64  p         -92.3   -17.1  Favored   7   7  0.39  10  0.56  molprobity     1  True   
  65    65  OUTLIER    59.6    17.8  Favored  13  11  1.20  14  0.53  molprobity     1  True   
  66    66  mt-30     -98.7   159.1  Favored   8   9  0.35  12  0.37  molprobity     1  True   
  67    67  mtp180   -121.9   135.1  Favored  13  11  1.31  14  0.55  molprobity     1  True   
  68    68  ?         171.2  -171.7  Favored   3   4  0.41   5  0.17  molprobity     1  True   
  69    69  m-20      -89.0   121.7  Favored   4   8  0.26  11  0.40  molprobity     1  True   
  70    70  p90      -111.9   143.7  Favored   9  12  0.42  17  0.36  molprobity     1  True   
  71    71  Cg_endo   -66.8   104.2  Allowed   7   8  0.40  11  0.28  molprobity     1  True   
  72    72  ?         -74.8    36.7  Allowed   3   4  0.56   5  0.27  molprobity     1  True   
  73    73  p        -104.5   -30.2  Favored   7   7  0.37  10  0.58  molprobity     1  True   
  74    74  m-85      -93.4    11.2  Favored   9  13  0.36  18  0.34  molprobity     1  True   
  75    75  m        -118.5   145.1  Favored   9   7  0.43  10  0.49  molprobity     1  True   
  76    76  pt-20     -93.1   170.7  Favored   6   9  0.45  12  0.39  molprobity     1  True   
  77    77  t80      -102.7   129.7  Favored   9  12  0.40  16  0.17  molprobity     1  True   
  78    78  mt        -99.0   -51.1  Favored  11   8  0.43  11  0.34  molprobity     1  True   
  79    79  ?         155.2  -175.1  Favored   3   4  0.59   6  0.65  molprobity     1  True   
  80    80  Cg_endo   -83.5   147.0  Favored   7   8  0.36  11  0.37  molprobity     1  True   
  81    81  mt        -78.0   116.9  Favored  11   8  0.35  11  0.25  molprobity     1  True   
  82    82  tt0           ?       ?  ?         6   8  0.63   9  0.37  molprobity     ?  False  
  83    83  ttm           ?       ?  ?        11   8  0.58  10  0.27  molprobity     ?  False  
  84    84  ?         -80.9   -57.6  Favored   5   5  0.38   7  0.26  molprobity     ?  False  
  85    85  ?         143.2  -175.4  Favored   3   4  0.49   6  0.70  molprobity     ?  False  
  86    86  Cg_endo   -74.9    47.6  Allowed   7   8  0.46  11  0.24  molprobity     ?  False  
  87    87  mm-40     -57.9   -33.2  Favored   6   9  0.42  12  0.46  molprobity     ?  False  
  88    88  ?        -164.9   161.2  Favored   3   4  0.33   5  0.17  molprobity     1  True   
  89    89  m-85     -110.0   153.6  Favored   9  12  0.37  16  0.17  molprobity     1  True   
  90    90  mt-30    -116.5   126.9  Favored   8   9  0.37  12  0.33  molprobity     1  True   
  91    91  m-85     -111.8   168.2  Favored   9  13  0.34  18  0.30  molprobity     1  True   
  92    92  ttt85    -124.0   119.0  Favored  13  11  1.22  14  0.59  molprobity     1  True   
  93    93  ?         -67.9   117.8  Favored   5   5  0.29   7  0.27  molprobity     1  True   
  94    94  mt        -89.8   -41.0  Favored  11   8  0.36  11  0.27  molprobity     1  True   
  95    95  m-85     -127.8   149.5  Favored   9  13  0.40  19  0.38  molprobity     1  True   
  96    96  Cg_endo   -72.7   152.8  Favored   7   8  0.34  11  0.31  molprobity     1  True   
  97    97  t80      -143.4   129.9  Favored   9  12  0.39  16  0.18  molprobity     1  True   
  98    98  mtt180   -104.1   160.1  Favored  13  11  1.20  14  0.42  molprobity     ?  False  
  99    99  mtm180    -97.9   128.1  Favored  13  11  1.28  14  0.77  molprobity     ?  False  
 100   100  pt-20     -87.0   -19.6  Favored   6   9  0.35  12  0.40  molprobity     ?  False  
 101   101  mtt180   -132.8   153.2  Favored  13  11  1.31  15  0.54  molprobity     ?  False  
 102   102  Cg_exo    -61.1   -28.0  Favored   7   8  0.43  11  0.29  molprobity     ?  False  
 103   103  mp0       -78.4    -5.9  Favored   6   9  0.47  12  0.41  molprobity     ?  False  
 104   104  t0        -84.9   177.4  Favored   4   8  0.42  11  0.57  molprobity     ?  False  
 105   105  tp       -129.8   126.1  Favored  11   8  0.52  11  0.26  molprobity     1  True   
 106   106  mt-10     -87.0   131.3  Favored   6   9  0.43  12  0.36  molprobity     1  True   
 107   107  mt       -119.6   138.1  Favored  11   8  0.36  11  0.20  molprobity     1  True   
 108   108  mm?      -118.4   145.7  Favored  11   8  0.53  12  0.42  molprobity     1  True   
 109   109  Cg_endo   -63.6   106.3  Allowed   7   8  0.39  11  0.28  molprobity     1  True   
 110   110  ?         131.7   -21.4  Favored   3   4  0.51   5  0.09  molprobity     1  True   
 111   111  m-20      -63.7   142.3  Favored   4   8  0.30  11  0.40  molprobity     1  True   
 112   112  t         -95.7    98.8  Favored   9   7  0.32  10  0.34  molprobity     1  True   
 113   113  mp        -78.8   116.5  Favored  11   8  0.40  11  0.26  molprobity     1  True   
 114   114  t         -94.3   117.2  Favored   9   7  0.30  10  0.40  molprobity     1  True   
 115   115  t        -115.8   123.2  Favored   9   7  0.34  10  0.43  molprobity     1  True   
 116   116  m         -66.5   131.1  Favored   5   6  0.47   8  0.11  molprobity     1  True   
 117   117  ttp180    -54.7   -33.9  Favored  13  11  1.25  14  0.38  molprobity     1  True   
 118   118  ?         -55.8   -35.8  Favored   5   5  0.39   7  0.25  molprobity     1  True   
 119   119  ?         -64.2   -34.9  Favored   5   5  0.33   7  0.22  molprobity     1  True   
 120   120  mt        -60.9   -42.9  Favored  11   8  0.42  11  0.19  molprobity     1  True   
 121   121  mt-30     -67.7   -35.3  Favored   8   9  0.37  12  0.21  molprobity     1  True   
 122   122  ?         -61.4   -33.8  Favored   5   5  0.40   7  0.26  molprobity     1  True   
 123   123  mt        -75.0   -28.8  Favored  11   8  0.36  11  0.40  molprobity     1  True   
 124   124  ?          88.8    35.2  Favored   3   4  0.40   5  0.30  molprobity     1  True   
 125   125  t         -75.7   127.4  Favored   9   7  0.30  10  0.43  molprobity     1  True   
 126   126  ?         -66.3   146.2  Favored   5   5  0.32   7  0.26  molprobity     1  True   
 127   127  mt-10     -59.9   121.6  Favored   6   9  0.38  12  0.38  molprobity     1  True   
 128   128  ?          98.4   -16.0  Favored   3   4  0.58   5  0.20  molprobity     1  True   
 129   129  ?         -60.6   -17.3  Favored   3   4  0.55   5  0.33  molprobity     1  True   
 130   130  tp10      -53.7   -21.1  Favored   6   9  0.46  12  0.45  molprobity     1  True   
 131   131  ptm180    -63.8   -11.3  Favored  13  11  1.19  14  0.49  molprobity     1  True   
 132   132  p        -161.0    91.7  Allowed   5   6  0.51   9  0.50  molprobity     1  True   
 133   133  Cg_endo   -55.0   -23.8  Favored   7   8  0.46  11  0.30  molprobity     1  True   
 134   134  OUTLIER   -55.2   -43.3  Favored   8   9  0.49  12  0.50  molprobity     1  True   
 135   135  m         -65.8   -15.4  Favored   5   6  0.56   8  0.27  molprobity     1  True   
 136   136  t         -85.2   -30.3  Favored   9   7  0.38  10  0.42  molprobity     1  True   
 137   137  ?          86.3   -92.2  Allowed   3   4  0.39   5  0.12  molprobity     1  True   
 138   138  m0       -108.6   131.5  Favored  10  16  0.24  23  0.19  molprobity     1  True   
 139   139  mtp      -133.2   132.6  Favored   9   8  0.43  11  0.53  molprobity     1  True   
 140   140  Cg_endo   -87.3   118.1  Allowed   7   8  0.38  11  0.37  molprobity     1  True   
 141   141  ?        -151.2   179.1  Favored   3   4  0.44   5  0.27  molprobity     1  True   
 142   142  tp       -103.9   124.5  Favored  11   8  0.42  11  0.20  molprobity     1  True   
 143   143  t-20      -87.2   149.0  Favored   6   8  0.39  11  0.23  molprobity     1  True   
 144   144  mm-40     -92.1   -28.6  Favored   6   9  0.49  12  0.50  molprobity     1  True   
 145   145  OUTLIER   -73.9   -58.8  Favored  13  11  1.22  14  0.62  molprobity     1  True   
 146   146  p         -81.9   -21.7  Favored   7   7  0.41  10  0.56  molprobity     1  True   
 147   147  mmt85      57.5    31.2  Favored  13  11  1.13  14  0.67  molprobity     1  True   
 148   148  mt-30     -98.3   135.8  Favored   8   9  0.34  12  0.26  molprobity     1  True   
 149   149  ptt180    -97.6   121.2  Favored  13  11  1.24  14  0.68  molprobity     1  True   
 150   150  ?        -170.0  -172.1  Favored   3   4  0.38   5  0.25  molprobity     1  True   
 151   151  t70       -89.9   132.2  Favored   4   8  0.30  11  0.37  molprobity     1  True   
 152   152  p90      -138.4   150.2  Favored   9  12  0.45  17  0.37  molprobity     1  True   
 153   153  Cg_endo   -68.8   110.3  Favored   7   8  0.41  11  0.24  molprobity     1  True   
 154   154  ?         -62.5   -11.5  Favored   3   4  0.60   5  0.32  molprobity     1  True   
 155   155  t         -72.5    -8.2  Favored   7   7  0.54  10  0.53  molprobity     1  True   
 156   156  m-85      -94.7    -2.9  Favored   9  13  0.39  18  0.28  molprobity     1  True   
 157   157  m        -127.2   149.8  Favored   9   7  0.37  10  0.52  molprobity     1  True   
 158   158  pt-20    -104.2   158.9  Favored   6   9  0.39  12  0.37  molprobity     1  True   
 159   159  t80       -89.5   127.8  Favored   9  12  0.39  16  0.19  molprobity     1  True   
 160   160  mt        -98.7   -65.9  Allowed  11   8  0.43  11  0.25  molprobity     1  True   
 161   161  ?         169.2   169.2  Favored   3   4  0.50   6  0.62  molprobity     1  True   
 162   162  Cg_endo   -76.5   160.9  Favored   7   8  0.35  11  0.27  molprobity     1  True   
 163   163  OUTLIER   -95.4    98.8  Favored  11   8  0.53  11  0.55  molprobity     1  True   
 164   164  tp10          ?       ?  ?         6   8  0.68   9  0.48  molprobity     ?  False  
 165   165  ptt?          ?       ?  ?        11   8  0.67  10  0.30  molprobity     ?  False  
 166   166  ?        -152.8   130.2  Favored   5   5  0.32   7  0.24  molprobity     ?  False  
 167   167  ?        -132.6  -113.3  Allowed   3   4  0.69   6  0.53  molprobity     ?  False  
 168   168  Cg_endo  -103.3    35.8  OUTLIER   7   8  0.45  11  0.91  molprobity     ?  False  
 169   169  mp0       -58.6   -32.0  Favored   6   9  0.55  12  0.50  molprobity     ?  False  
 170   170  ?        -173.2   168.1  Favored   3   4  0.41   5  0.18  molprobity     1  True   
 171   171  m-85     -132.1   158.4  Favored   9  12  0.37  16  0.21  molprobity     1  True   
 172   172  mt-30    -114.9   130.3  Favored   8   9  0.38  12  0.31  molprobity     1  True   
 173   173  m-85     -122.9   146.8  Favored   9  13  0.36  18  0.25  molprobity     1  True   
 174   174  ttp180   -104.8   126.7  Favored  13  11  1.24  14  0.45  molprobity     1  True   
 175   175  ?         -73.8   114.7  Favored   5   5  0.33   7  0.28  molprobity     1  True   
 176   176  mt        -70.3   -61.1  Allowed  11   8  0.34  11  0.23  molprobity     1  True   
 177   177  m-85     -128.3   147.2  Favored   9  13  0.38  19  0.36  molprobity     1  True   
 178   178  Cg_endo   -69.0   119.7  Favored   7   8  0.35  11  0.27  molprobity     1  True   
 179   179  t80      -112.3   111.4  Favored   9  12  0.40  16  0.17  molprobity     1  True   
 180   180  ptp85     -73.5   134.8  Favored  13  11  1.23  14  0.72  molprobity     ?  False  
 181   181  mmt180    -89.5   171.1  Favored  13  11  1.22  14  0.44  molprobity     ?  False  
 182   182  mm-40     -85.1   -51.5  Favored   6   9  0.33  12  0.33  molprobity     ?  False  
 183   183  OUTLIER  -130.7   160.8  Favored  13  11  1.22  15  0.59  molprobity     ?  False  
 184   184  Cg_endo   -66.8     5.4  Allowed   7   8  0.56  11  0.37  molprobity     ?  False  
 185   185  mp0       -66.1   -32.6  Favored   6   9  0.41  12  0.40  molprobity     ?  False  
 186   186  m-20     -103.8  -178.5  Favored   4   8  0.33  11  0.30  molprobity     ?  False  
 187   187  tp       -100.2   132.3  Favored  11   8  0.41  11  0.28  molprobity     1  True   
 188   188  OUTLIER   -96.4   142.7  Favored   6   9  0.45  12  0.50  molprobity     1  True   
 189   189  mt       -104.9   135.0  Favored  11   8  0.44  11  0.42  molprobity     1  True   
 190   190  mm?      -111.8   139.0  Favored  11   8  0.46  12  0.43  molprobity     1  True   
 191   191  Cg_endo   -70.5   126.3  Favored   7   8  0.39  11  0.29  molprobity     1  True   
 192   192  ?          94.3   -14.2  Favored   3   4  0.53   5  0.17  molprobity     1  True   
 193   193  t70       -78.7   160.6  Favored   4   8  0.31  11  0.41  molprobity     1  True   
 194   194  t        -108.8   133.2  Favored   9   7  0.34  10  0.48  molprobity     1  True   
 195   195  mp       -108.6   122.7  Favored  11   8  0.43  11  0.25  molprobity     1  True   
 196   196  t         -94.0   115.9  Favored   9   7  0.36  10  0.40  molprobity     1  True   
 197   197  t        -113.2   106.7  Favored   9   7  0.30  10  0.44  molprobity     1  True   
 198   198  m         -62.2   126.4  Favored   5   6  0.44   8  0.14  molprobity     1  True   
 199   199  ttt180    -58.7   -20.5  Favored  13  11  1.09  14  0.21  molprobity     1  True   
 200   200  ?         -52.3   -36.1  Favored   5   5  0.37   7  0.25  molprobity     1  True   
 201   201  ?         -71.3   -39.4  Favored   5   5  0.34   7  0.24  molprobity     1  True   
 202   202  mt        -65.0   -37.9  Favored  11   8  0.42  11  0.19  molprobity     1  True   
 203   203  mm100     -66.2   -38.6  Favored   8   9  0.33  12  0.27  molprobity     1  True   
 204   204  ?         -61.5   -36.4  Favored   5   5  0.32   7  0.24  molprobity     1  True   
 205   205  mt        -74.0   -27.8  Favored  11   8  0.40  11  0.28  molprobity     1  True   
 206   206  ?          82.9    55.5  Favored   3   4  0.36   5  0.19  molprobity     1  True   
 207   207  t         -84.8   141.0  Favored   9   7  0.42  10  0.42  molprobity     1  True   
 208   208  ?         -78.8   145.4  Favored   5   5  0.32   7  0.28  molprobity     1  True   
 209   209  mt-10     -66.0   120.7  Favored   6   9  0.28  12  0.38  molprobity     1  True   
 210   210  ?         104.8   -13.6  Favored   3   4  0.36   5  0.26  molprobity     1  True   
 211   211  ?         -98.0   -18.8  Favored   3   4  0.42   5  0.08  molprobity     1  True   
 212   212  OUTLIER   -64.4   -30.9  Favored   6   9  0.43  12  0.41  molprobity     1  True   
 213   213  ptt180    -76.5     8.4  Favored  13  11  1.26  14  0.48  molprobity     1  True   
 214   214  m        -137.1    80.3  Favored   5   6  0.48   9  0.49  molprobity     1  True   
 215   215  Cg_endo   -58.1   -36.9  Favored   7   8  0.42  11  0.26  molprobity     1  True   
 216   216  pt20      -61.2   -22.3  Favored   8   9  0.41  12  0.28  molprobity     1  True   
 217   217  m         -86.5   -24.2  Favored   5   6  0.45   8  0.17  molprobity     1  True   
 218   218  t         -80.8   -46.0  Favored   9   7  0.40  10  0.44  molprobity     1  True   
 219   219  ?         118.1   -99.2  Allowed   3   4  0.45   5  0.15  molprobity     1  True   
 220   220  p-90     -122.9   133.9  Favored  10  16  0.26  23  0.16  molprobity     1  True   
 221   221  mpp?     -133.9   151.7  Favored   9   8  0.44  11  0.49  molprobity     1  True   
 222   222  Cg_endo   -86.0   137.4  Favored   7   8  0.54  11  0.49  molprobity     1  True   
 223   223  ?        -159.4  -179.7  Favored   3   4  0.53   5  0.33  molprobity     1  True   
 224   224  tp       -101.1   117.8  Favored  11   8  0.43  11  0.21  molprobity     1  True   
 225   225  t-20      -85.6   111.6  Favored   6   8  0.39  11  0.27  molprobity     1  True   
 226   226  mm-40     -62.2   -28.7  Favored   6   9  0.41  12  0.39  molprobity     1  True   
 227   227  OUTLIER   -60.5   -54.9  Favored  13  11  1.20  14  0.51  molprobity     1  True   
 228   228  p         -99.5    -8.8  Favored   7   7  0.45  10  0.57  molprobity     1  True   
 229   229  mmm180     64.2    13.6  Favored  13  11  1.32  14  0.29  molprobity     1  True   
 230   230  mm-40     -96.5   166.7  Favored   8   9  0.38  12  0.40  molprobity     1  True   
 231   231  mtp180   -116.3   147.8  Favored  13  11  1.12  14  0.40  molprobity     1  True   
 232   232  ?         166.7  -179.3  Favored   3   4  0.35   5  0.16  molprobity     1  True   
 233   233  m-20      -88.7   139.9  Favored   4   8  0.29  11  0.40  molprobity     1  True   
 234   234  p90      -134.2   146.8  Favored   9  12  0.44  17  0.34  molprobity     1  True   
 235   235  Cg_exo    -67.6   110.4  Favored   7   8  0.42  11  0.32  molprobity     1  True   
 236   236  ?         -62.2   -10.2  Favored   3   4  0.50   5  0.20  molprobity     1  True   
 237   237  p         -76.2   -20.9  Favored   7   7  0.42  10  0.54  molprobity     1  True   
 238   238  m-85     -102.2    12.4  Favored   9  13  0.37  18  0.34  molprobity     1  True   
 239   239  m        -130.2   151.1  Favored   9   7  0.37  10  0.45  molprobity     1  True   
 240   240  pt-20    -118.5   145.0  Favored   6   9  0.39  12  0.34  molprobity     1  True   
 241   241  t80       -73.2   117.7  Favored   9  12  0.37  16  0.19  molprobity     1  True   
 242   242  mt        -87.8   -58.3  Favored  11   8  0.36  11  0.26  molprobity     1  True   
 243   243  ?         170.2  -169.8  Favored   3   4  0.46   6  0.64  molprobity     1  True   
 244   244  Cg_endo   -81.1  -176.7  Favored   7   8  0.40  11  0.30  molprobity     1  True   
 245   245  mt        -86.5   116.7  Favored  11   8  0.40  11  0.18  molprobity     1  True   
 246   246  mm-40         ?       ?  ?         6   8  0.65   9  0.43  molprobity     ?  False  
 247   247  OUTLIER       ?       ?  ?        11   8  0.55  10  0.25  molprobity     ?  False  
 248   248  ?        -136.5   -68.9  Allowed   5   5  0.26   7  0.33  molprobity     ?  False  
 249   249  ?         131.9  -175.2  Favored   3   4  0.46   6  0.54  molprobity     ?  False  
 250   250  Cg_endo  -100.9    40.7  OUTLIER   7   8  0.42  11  0.67  molprobity     ?  False  
 251   251  OUTLIER   -57.1   -32.2  Favored   6   9  0.55  12  0.53  molprobity     ?  False  
 252   252  ?         110.4  -163.2  Favored   3   4  0.38   5  0.77  molprobity     1  True   
 253   253  m-85     -126.0   179.9  Favored   9  12  0.39  16  0.22  molprobity     1  True   
 254   254  mt-30    -125.2   137.6  Favored   8   9  0.39  12  0.39  molprobity     1  True   
 255   255  m-85     -120.2   154.7  Favored   9  13  0.34  18  0.23  molprobity     1  True   
 256   256  ttp180   -123.0   121.9  Favored  13  11  1.30  14  0.50  molprobity     1  True   
 257   257  ?         -73.8   123.4  Favored   5   5  0.33   7  0.29  molprobity     1  True   
 258   258  mt        -81.8   -49.8  Favored  11   8  0.37  11  0.23  molprobity     1  True   
 259   259  m-85     -127.3   153.3  Favored   9  13  0.40  19  0.37  molprobity     1  True   
 260   260  Cg_endo   -68.5   131.3  Favored   7   8  0.36  11  0.44  molprobity     1  True   
 261   261  t80      -111.4   131.2  Favored   9  12  0.37  16  0.18  molprobity     1  True   
 262   262  ppt_?    -108.3   139.5  Favored  13  11  1.19  14  0.60  molprobity     ?  False  
 263   263  tpt180   -117.1   142.4  Favored  13  11  1.16  14  0.82  molprobity     ?  False  
 264   264  pt-20     -74.6     7.8  Favored   6   9  0.48  12  0.44  molprobity     ?  False  
 265   265  mtt-85   -144.6   143.7  Favored  13  11  1.23  15  0.52  molprobity     ?  False  
 266   266  Cg_endo   -77.4    -4.2  Favored   7   8  0.44  11  0.27  molprobity     ?  False  
 267   267  mt-10     -72.8   -53.8  Favored   6   9  0.38  12  0.42  molprobity     ?  False  
 268   268  m-20      -70.7   169.4  Favored   4   8  0.30  11  0.41  molprobity     ?  False  
 269   269  tp       -100.0   119.9  Favored  11   8  0.36  11  0.29  molprobity     1  True   
 270   270  mt-10     -90.6   164.6  Favored   6   9  0.38  12  0.34  molprobity     1  True   
 271   271  mt       -121.9   147.1  Favored  11   8  0.41  11  0.25  molprobity     1  True   
 272   272  mm?      -122.9   155.6  Favored  11   8  0.59  12  0.41  molprobity     1  True   
 273   273  Cg_endo   -66.5   117.8  Favored   7   8  0.42  11  0.27  molprobity     1  True   
 274   274  ?          81.2    28.3  Favored   3   4  0.49   5  0.28  molprobity     1  True   
 275   275  t0        -93.4   156.6  Favored   4   8  0.30  11  0.38  molprobity     1  True   
 276   276  t        -121.3   132.9  Favored   9   7  0.33  10  0.42  molprobity     1  True   
 277   277  mp       -127.3   124.0  Favored  11   8  0.44  11  0.26  molprobity     1  True   
 278   278  t         -94.2   119.1  Favored   9   7  0.29  10  0.40  molprobity     1  True   
 279   279  t        -115.3   104.8  Favored   9   7  0.32  10  0.40  molprobity     1  True   
 280   280  m         -61.0   119.8  Favored   5   6  0.39   8  0.18  molprobity     1  True   
 281   281  ptm180    -63.0   -12.5  Favored  13  11  1.15  14  0.49  molprobity     1  True   
 282   282  ?         -57.1   -36.9  Favored   5   5  0.36   7  0.39  molprobity     1  True   
 283   283  ?         -68.2   -35.9  Favored   5   5  0.29   7  0.24  molprobity     1  True   
 284   284  mt        -62.6   -34.4  Favored  11   8  0.42  11  0.21  molprobity     1  True   
 285   285  mt-30     -63.7   -36.1  Favored   8   9  0.39  12  0.21  molprobity     1  True   
 286   286  ?         -68.2   -25.0  Favored   5   5  0.34   7  0.26  molprobity     1  True   
 287   287  mt        -80.7   -28.4  Favored  11   8  0.42  11  0.32  molprobity     1  True   
 288   288  ?          75.1    36.8  Favored   3   4  0.46   5  0.28  molprobity     1  True   
 289   289  t         -59.6   133.9  Favored   9   7  0.38  10  0.52  molprobity     1  True   
 290   290  ?         -84.7   151.7  Favored   5   5  0.36   7  0.18  molprobity     1  True   
 291   291  mp0       -50.0   110.7  Allowed   6   9  0.47  12  0.42  molprobity     1  True   
 292   292  ?         128.3   -50.5  Allowed   3   4  0.40   5  0.35  molprobity     1  True   
 293   293  ?         -62.1   -27.2  Favored   3   4  0.46   5  0.29  molprobity     1  True   
 294   294  tt0       -57.5   -35.4  Favored   6   9  0.38  12  0.48  molprobity     1  True   
 295   295  ptt180   -100.6     4.0  Favored  13  11  1.15  14  0.39  molprobity     1  True   
 296   296  m        -142.9    82.5  Favored   5   6  0.40   9  0.54  molprobity     1  True   
 297   297  Cg_endo   -58.9   -24.8  Favored   7   8  0.43  11  0.24  molprobity     1  True   
 298   298  pt20      -57.4   -27.1  Favored   8   9  0.42  12  0.27  molprobity     1  True   
 299   299  t         -83.0   -13.2  Favored   5   6  0.55   8  0.25  molprobity     1  True   
 300   300  t         -98.4   -38.3  Favored   9   7  0.37  10  0.45  molprobity     1  True   
 301   301  ?          92.0   -93.1  Allowed   3   4  0.41   5  0.14  molprobity     1  True   
 302   302  p-90      -93.5   136.7  Favored  10  16  0.24  23  0.15  molprobity     1  True   
 303   303  mtp      -139.8   129.2  Favored   9   8  0.39  11  0.55  molprobity     1  True   
 304   304  Cg_endo   -77.5   117.8  Favored   7   8  0.35  11  0.36  molprobity     1  True   
 305   305  ?        -151.2  -177.8  Favored   3   4  0.47   5  0.21  molprobity     1  True   
 306   306  tp       -112.0   116.1  Favored  11   8  0.41  11  0.19  molprobity     1  True   
 307   307  t-20      -77.0   134.9  Favored   6   8  0.38  11  0.29  molprobity     1  True   
 308   308  mm-40     -84.2   -40.1  Favored   6   9  0.46  12  0.44  molprobity     1  True   
 309   309  ttt180    -67.5   -30.5  Favored  13  11  1.31  14  0.44  molprobity     1  True   
 310   310  p        -114.8   -28.7  Favored   7   7  0.44  10  0.63  molprobity     1  True   
 311   311  mmt85      64.1    28.9  Favored  13  11  1.21  14  0.70  molprobity     1  True   
 312   312  mm-40     -91.0   143.9  Favored   8   9  0.34  12  0.22  molprobity     1  True   
 313   313  mmm180    -96.4   164.4  Favored  13  11  1.22  14  0.68  molprobity     1  True   
 314   314  ?         139.6  -165.9  Favored   3   4  0.44   5  0.22  molprobity     1  True   
 315   315  m-20     -108.1   132.9  Favored   4   8  0.25  11  0.41  molprobity     1  True   
 316   316  p90      -118.9   147.3  Favored   9  12  0.44  17  0.36  molprobity     1  True   
 317   317  Cg_endo   -74.9   103.6  Allowed   7   8  0.41  11  0.23  molprobity     1  True   
 318   318  ?         -60.1   -15.0  Favored   3   4  0.63   5  0.28  molprobity     1  True   
 319   319  t         -62.4   -18.4  Favored   7   7  0.58  10  0.60  molprobity     1  True   
 320   320  m-85     -100.3     3.3  Favored   9  13  0.40  18  0.25  molprobity     1  True   
 321   321  m        -121.0   159.5  Favored   9   7  0.46  10  0.54  molprobity     1  True   
 322   322  pt-20    -112.0   152.4  Favored   6   9  0.39  12  0.36  molprobity     1  True   
 323   323  t80       -83.8   106.6  Favored   9  12  0.36  16  0.15  molprobity     1  True   
 324   324  mt        -72.7   -53.5  Favored  11   8  0.36  11  0.24  molprobity     1  True   
 325   325  ?         147.6  -175.1  Favored   3   4  0.56   6  0.58  molprobity     1  True   
 326   326  Cg_exo    -78.9   164.9  Favored   7   8  0.45  11  0.38  molprobity     1  True   
 327   327  pp       -127.1   158.1  Favored  11   8  0.52  11  0.36  molprobity     1  True   
 328   328  mm-40         ?       ?  ?         6   8  0.65   9  0.46  molprobity     ?  False  
 329   329  mtm           ?       ?  ?        11   8  0.56  10  0.28  molprobity     ?  False  
 330   330  ?         -93.7   104.1  Favored   5   5  0.36   7  0.36  molprobity     ?  False  
 331   331  ?         -80.8  -171.9  Favored   3   4  0.58   6  0.66  molprobity     ?  False  
 332   332  Cg_endo   -75.2    39.5  Allowed   7   8  0.50  11  0.29  molprobity     ?  False  
 333   333  mm-40     -62.2   -28.6  Favored   6   9  0.36  12  0.44  molprobity     ?  False  
 334   334  ?        -128.3   147.1  Favored   3   4  0.37   5  0.14  molprobity     1  True   
 335   335  m-85     -127.1   158.2  Favored   9  12  0.40  16  0.29  molprobity     1  True   
 336   336  mt-30    -113.0   127.4  Favored   8   9  0.36  12  0.33  molprobity     1  True   
 337   337  m-85     -111.2   163.2  Favored   9  13  0.36  18  0.21  molprobity     1  True   
 338   338  ttt180   -133.5   123.9  Favored  13  11  1.17  14  0.41  molprobity     1  True   
 339   339  ?         -77.1   123.0  Favored   5   5  0.25   7  0.13  molprobity     1  True   
 340   340  mt        -71.3   -60.1  Favored  11   8  0.42  11  0.28  molprobity     1  True   
 341   341  m-85     -127.2   161.2  Favored   9  13  0.46  19  0.33  molprobity     1  True   
 342   342  Cg_endo   -63.7   135.2  Favored   7   8  0.36  11  0.32  molprobity     1  True   
 343   343  t80      -133.8   130.8  Favored   9  12  0.41  16  0.22  molprobity     1  True   
 344   344  ttp180   -135.4   141.8  Favored  13  11  1.16  14  0.32  molprobity     ?  False  
 345   345  tpp180   -107.9   167.4  Favored  13  11  1.26  14  0.80  molprobity     ?  False  
 346   346  mm-40     -70.1   -11.0  Favored   6   9  0.41  12  0.41  molprobity     ?  False  
 347   347  mmm180   -136.3   137.6  Favored  13  11  1.27  15  0.52  molprobity     ?  False  
 348   348  Cg_endo   -72.9     5.4  Favored   7   8  0.39  11  0.25  molprobity     ?  False  
 349   349  mm-40     -62.4   -25.9  Favored   6   9  0.42  12  0.42  molprobity     ?  False  
 350   350  m-20      -81.5  -158.4  Allowed   4   8  0.32  11  0.45  molprobity     ?  False  
 351   351  tp       -133.1   118.9  Favored  11   8  0.40  11  0.20  molprobity     1  True   
 352   352  mp0       -62.5   120.0  Favored   6   9  0.39  12  0.29  molprobity     1  True   
 353   353  mt       -100.3   143.1  Favored  11   8  0.38  11  0.22  molprobity     1  True   
 354   354  mm?      -111.0   148.0  Favored  11   8  0.55  12  0.42  molprobity     1  True   
 355   355  Cg_endo   -63.6   106.2  Allowed   7   8  0.35  11  0.30  molprobity     1  True   
 356   356  ?          82.0    34.5  Favored   3   4  0.52   5  0.13  molprobity     1  True   
 357   357  t70      -105.6   158.9  Favored   4   8  0.33  11  0.42  molprobity     1  True   
 358   358  t        -101.1   131.8  Favored   9   7  0.42  10  0.56  molprobity     1  True   
 359   359  mp       -111.2   127.8  Favored  11   8  0.44  11  0.31  molprobity     1  True   
 360   360  t         -96.0   122.7  Favored   9   7  0.41  10  0.41  molprobity     1  True   
 361   361  t        -131.8   116.5  Favored   9   7  0.40  10  0.48  molprobity     1  True   
 362   362  m         -89.2   156.7  Favored   5   6  0.47   8  0.23  molprobity     1  True   
 363   363  mtm180    -71.5   -14.7  Favored  13  11  1.04  14  0.26  molprobity     1  True   
 364   364  ?         -49.5   -35.7  Favored   5   5  0.40   7  0.25  molprobity     1  True   
 365   365  ?         -85.7   -43.5  Favored   5   5  0.34   7  0.24  molprobity     1  True   
 366   366  mt        -56.8   -38.4  Favored  11   8  0.49  11  0.20  molprobity     1  True   
 367   367  mm100     -65.3   -37.7  Favored   8   9  0.36  12  0.25  molprobity     1  True   
 368   368  ?         -67.2   -34.1  Favored   5   5  0.31   7  0.28  molprobity     1  True   
 369   369  mt        -70.0   -28.5  Favored  11   8  0.41  11  0.26  molprobity     1  True   
 370   370  ?          88.3    41.8  Favored   3   4  0.37   5  0.20  molprobity     1  True   
 371   371  t         -79.6   129.8  Favored   9   7  0.35  10  0.42  molprobity     1  True   
 372   372  ?         -76.4   148.7  Favored   5   5  0.33   7  0.30  molprobity     1  True   
 373   373  tp10      -57.5   122.4  Favored   6   9  0.40  12  0.38  molprobity     1  True   
 374   374  ?          96.1     2.8  Favored   3   4  0.44   5  0.26  molprobity     1  True   
 375   375  ?         -94.3   -28.5  Favored   3   4  0.44   5  0.22  molprobity     1  True   
 376   376  OUTLIER   -59.4   -34.5  Favored   6   9  0.51  12  0.41  molprobity     1  True   
 377   377  ptt180    -63.6   -12.0  Favored  13  11  1.20  14  0.45  molprobity     1  True   
 378   378  m        -134.6    85.5  Favored   5   6  0.34   9  0.54  molprobity     1  True   
 379   379  Cg_endo   -55.9   -28.1  Favored   7   8  0.44  11  0.30  molprobity     1  True   
 380   380  pt20      -62.4   -23.4  Favored   8   9  0.35  12  0.25  molprobity     1  True   
 381   381  t         -68.1   -45.3  Favored   5   6  0.48   8  0.29  molprobity     1  True   
 382   382  t         -76.2   -46.4  Favored   9   7  0.36  10  0.44  molprobity     1  True   
 383   383  ?         110.0   -90.2  Allowed   3   4  0.45   5  0.13  molprobity     1  True   
 384   384  m95      -112.1   114.8  Favored  10  16  0.25  23  0.19  molprobity     1  True   
 385   385  mpp?     -124.3   138.4  Favored   9   8  0.37  11  0.51  molprobity     1  True   
 386   386  Cg_endo   -77.9   127.9  Favored   7   8  0.36  11  0.31  molprobity     1  True   
 387   387  ?        -145.7   168.8  Favored   3   4  0.34   5  0.19  molprobity     1  True   
 388   388  tp       -103.9   124.0  Favored  11   8  0.38  11  0.17  molprobity     1  True   
 389   389  t-20      -84.5   118.1  Favored   6   8  0.36  11  0.24  molprobity     1  True   
 390   390  mm-40     -66.3   -31.6  Favored   6   9  0.44  12  0.39  molprobity     1  True   
 391   391  OUTLIER   -63.4   -51.6  Favored  13  11  1.21  14  0.63  molprobity     1  True   
 392   392  p        -102.4   -18.8  Favored   7   7  0.46  10  0.63  molprobity     1  True   
 393   393  OUTLIER    69.6    18.0  Favored  13  11  1.28  14  0.42  molprobity     1  True   
 394   394  mt-30     -84.1   149.3  Favored   8   9  0.38  12  0.33  molprobity     1  True   
 395   395  mtp180   -111.2   150.7  Favored  13  11  1.17  14  0.53  molprobity     1  True   
 396   396  ?         172.6   164.1  Favored   3   4  0.31   5  0.31  molprobity     1  True   
 397   397  m-20      -89.0   109.6  Favored   4   8  0.24  11  0.37  molprobity     1  True   
 398   398  p90      -106.7   143.8  Favored   9  12  0.47  17  0.39  molprobity     1  True   
 399   399  Cg_endo   -69.4   104.7  Allowed   7   8  0.40  11  0.20  molprobity     1  True   
 400   400  ?         -61.0   -18.6  Favored   3   4  0.50   5  0.41  molprobity     1  True   
 401   401  m         -58.6   -24.8  Favored   7   7  0.50  10  0.46  molprobity     1  True   
 402   402  m-85     -100.7    11.7  Favored   9  13  0.38  18  0.27  molprobity     1  True   
 403   403  m        -130.9   150.3  Favored   9   7  0.41  10  0.43  molprobity     1  True   
 404   404  pt-20     -98.9   153.7  Favored   6   9  0.38  12  0.41  molprobity     1  True   
 405   405  t80       -92.8   116.3  Favored   9  12  0.40  16  0.20  molprobity     1  True   
 406   406  mt        -80.8   -67.4  Allowed  11   8  0.42  11  0.25  molprobity     1  True   
 407   407  ?         170.2   179.7  Favored   3   4  0.58   6  0.59  molprobity     1  True   
 408   408  Cg_exo    -72.0   165.1  Favored   7   8  0.47  11  0.39  molprobity     1  True   
 409   409  mt        -78.2   149.4  Favored  11   8  0.44  11  0.27  molprobity     1  True   
 410   410  tt0           ?       ?  ?         6   8  0.63   9  0.35  molprobity     ?  False  
 411   411  OUTLIER       ?       ?  ?        11   8  0.63  10  0.20  molprobity     ?  False  
 412   412  ?         -85.4   177.8  Favored   5   5  0.43   7  0.32  molprobity     ?  False  
 413   413  ?         146.7   148.2  Favored   3   4  0.55   6  0.69  molprobity     ?  False  
 414   414  Cg_endo   -76.2    51.3  Favored   7   8  0.42  11  0.27  molprobity     ?  False  
 415   415  mm-40     -69.3   -20.6  Favored   6   9  0.38  12  0.44  molprobity     ?  False  
 416   416  ?        -176.7  -145.0  Favored   3   4  0.25   5  0.21  molprobity     1  True   
 417   417  m-85     -131.0   145.6  Favored   9  12  0.37  16  0.25  molprobity     1  True   
 418   418  mt-30     -93.0   134.0  Favored   8   9  0.44  12  0.30  molprobity     1  True   
 419   419  m-85     -124.8   124.0  Favored   9  13  0.37  18  0.18  molprobity     1  True   
 420   420  ttm180    -97.8   115.6  Favored  13  11  1.23  14  0.46  molprobity     1  True   
 421   421  ?         -69.0   109.0  Favored   5   5  0.31   7  0.22  molprobity     1  True   
 422   422  mt        -83.9   -29.6  Favored  11   8  0.38  11  0.22  molprobity     1  True   
 423   423  m-85     -124.2   135.5  Favored   9  13  0.40  19  0.39  molprobity     1  True   
 424   424  Cg_endo   -69.2   119.9  Favored   7   8  0.32  11  0.31  molprobity     1  True   
 425   425  t80      -122.5   111.6  Favored   9  12  0.39  16  0.18  molprobity     1  True   
 426   426  ptp180   -104.6   120.2  Favored  13  11  1.13  14  0.34  molprobity     ?  False  
 427   427  tpt180    -74.6   151.4  Favored  13  11  1.19  14  0.71  molprobity     ?  False  
 428   428  mm-40     -55.3   -47.7  Favored   6   9  0.41  12  0.42  molprobity     ?  False  
 429   429  mmm180   -106.4   151.3  Favored  13  11  1.24  15  0.60  molprobity     ?  False  
 430   430  Cg_endo   -73.9     5.6  Favored   7   8  0.47  11  0.30  molprobity     ?  False  
 431   431  tt0       -66.8   -34.4  Favored   6   9  0.37  12  0.47  molprobity     ?  False  
 432   432  m-20      -84.8  -160.5  Allowed   4   8  0.45  11  0.35  molprobity     ?  False  
 433   433  tp       -126.0   123.9  Favored  11   8  0.46  11  0.16  molprobity     1  True   
 434   434  mp0       -72.9   138.9  Favored   6   9  0.54  12  0.46  molprobity     1  True   
 435   435  mt       -106.2   137.6  Favored  11   8  0.39  11  0.24  molprobity     1  True   
 436   436  mm?      -120.7   142.8  Favored  11   8  0.60  12  0.43  molprobity     1  True   
 437   437  Cg_endo   -66.4   117.6  Favored   7   8  0.35  11  0.27  molprobity     1  True   
 438   438  ?         104.9    -7.8  Favored   3   4  0.43   5  0.11  molprobity     1  True   
 439   439  t70       -77.9   138.8  Favored   4   8  0.35  11  0.38  molprobity     1  True   
 440   440  t        -111.0    97.7  Favored   9   7  0.33  10  0.39  molprobity     1  True   
 441   441  mp        -81.1   127.2  Favored  11   8  0.41  11  0.21  molprobity     1  True   
 442   442  t         -94.0   113.5  Favored   9   7  0.33  10  0.45  molprobity     1  True   
 443   443  t        -109.7   134.6  Favored   9   7  0.36  10  0.40  molprobity     1  True   
 444   444  p         -74.8   149.3  Favored   5   6  0.42   8  0.32  molprobity     1  True   
 445   445  ttp180    -62.5   -38.2  Favored  13  11  1.21  14  0.58  molprobity     1  True   
 446   446  ?         -59.5   -38.4  Favored   5   5  0.34   7  0.17  molprobity     1  True   
 447   447  ?         -58.8   -47.0  Favored   5   5  0.37   7  0.23  molprobity     1  True   
 448   448  mt        -61.0   -41.2  Favored  11   8  0.37  11  0.15  molprobity     1  True   
 449   449  mt-30     -60.3   -37.3  Favored   8   9  0.32  12  0.22  molprobity     1  True   
 450   450  ?         -65.0   -39.4  Favored   5   5  0.31   7  0.31  molprobity     1  True   
 451   451  mt        -68.8   -21.4  Favored  11   8  0.39  11  0.29  molprobity     1  True   
 452   452  ?          92.0    36.4  Favored   3   4  0.46   5  0.15  molprobity     1  True   
 453   453  t         -89.6   130.2  Favored   9   7  0.35  10  0.39  molprobity     1  True   
 454   454  ?         -94.8   150.4  Favored   5   5  0.34   7  0.25  molprobity     1  True   
 455   455  tp10      -48.4   121.4  Favored   6   9  0.41  12  0.38  molprobity     1  True   
 456   456  ?          97.6     6.2  Favored   3   4  0.50   5  0.30  molprobity     1  True   
 457   457  ?        -110.8   -28.2  Favored   3   4  0.54   5  0.39  molprobity     1  True   
 458   458  OUTLIER   -56.8   -31.3  Favored   6   9  0.53  12  0.47  molprobity     1  True   
 459   459  ptp180    -59.1   -13.7  Favored  13  11  1.17  14  0.42  molprobity     1  True   
 460   460  p        -127.3    84.0  Favored   5   6  0.44   9  0.48  molprobity     1  True   
 461   461  Cg_endo   -58.4   -33.3  Favored   7   8  0.40  11  0.27  molprobity     1  True   
 462   462  mt-30     -58.6   -28.9  Favored   8   9  0.36  12  0.29  molprobity     1  True   
 463   463  t         -76.2   -33.4  Favored   5   6  0.41   8  0.22  molprobity     1  True   
 464   464  t         -71.9   -58.5  Favored   9   7  0.39  10  0.44  molprobity     1  True   
 465   465  ?         119.1  -137.2  Favored   3   4  0.44   5  0.12  molprobity     1  True   
 466   466  OUTLIER   -76.9   132.9  Favored  10  16  0.28  23  0.27  molprobity     1  True   
 467   467  mtm      -132.4   147.6  Favored   9   8  0.41  11  0.54  molprobity     1  True   
 468   468  Cg_endo   -77.1   126.4  Favored   7   8  0.39  11  0.41  molprobity     1  True   
 469   469  ?        -153.8  -175.2  Favored   3   4  0.42   5  0.41  molprobity     1  True   
 470   470  tp       -122.9   117.1  Favored  11   8  0.40  11  0.19  molprobity     1  True   
 471   471  t-20      -79.9   129.7  Favored   6   8  0.40  11  0.19  molprobity     1  True   
 472   472  mm-40     -92.4    -6.5  Favored   6   9  0.43  12  0.55  molprobity     1  True   
 473   473  mtt180    -92.6   -23.6  Favored  13  11  1.26  14  0.62  molprobity     1  True   
 474   474  p        -111.4   -16.9  Favored   7   7  0.48  10  0.62  molprobity     1  True   
 475   475  mmm-85     62.6    22.4  Favored  13  11  1.21  14  0.79  molprobity     1  True   
 476   476  mm-40    -101.2   149.2  Favored   8   9  0.41  12  0.37  molprobity     1  True   
 477   477  mmm180    -92.6   156.4  Favored  13  11  1.16  14  0.44  molprobity     1  True   
 478   478  ?         171.6  -172.3  Favored   3   4  0.35   5  0.32  molprobity     1  True   
 479   479  OUTLIER  -112.1   125.6  Favored   4   8  0.30  11  0.44  molprobity     1  True   
 480   480  p90      -132.1   142.8  Favored   9  12  0.44  17  0.38  molprobity     1  True   
 481   481  Cg_endo   -69.3   113.9  Favored   7   8  0.44  11  0.25  molprobity     1  True   
 482   482  ?         -74.4    33.0  Allowed   3   4  0.56   5  0.26  molprobity     1  True   
 483   483  m         -92.5   -28.9  Favored   7   7  0.46  10  0.52  molprobity     1  True   
 484   484  m-85      -96.5     5.3  Favored   9  13  0.39  18  0.23  molprobity     1  True   
 485   485  m        -117.6   145.4  Favored   9   7  0.36  10  0.45  molprobity     1  True   
 486   486  pt-20     -99.9   152.3  Favored   6   9  0.40  12  0.40  molprobity     1  True   
 487   487  t80       -84.8   107.4  Favored   9  12  0.34  16  0.22  molprobity     1  True   
 488   488  mt        -76.9   -38.1  Favored  11   8  0.34  11  0.23  molprobity     1  True   
 489   489  ?         131.7  -176.5  Favored   3   4  0.45   6  0.59  molprobity     1  True   
 490   490  Cg_exo    -69.6   150.1  Favored   7   8  0.39  11  0.32  molprobity     1  True   
 491   491  mp        -74.5   151.2  Favored  11   8  0.42  11  0.31  molprobity     1  True   
 492   492  pt-20         ?       ?  ?         6   8  0.68   9  0.50  molprobity     ?  False  
 493   493  tpt           ?       ?  ?        11   8  0.58  10  0.31  molprobity     ?  False  
 494   494  ?         -82.7   -42.6  Favored   5   5  0.38   7  0.17  molprobity     ?  False  
 495   495  ?          56.3  -113.1  Favored   3   4  0.76   6  0.73  molprobity     ?  False  
 496   496  Cg_endo   -76.5    23.7  Allowed   7   8  0.47  11  0.40  molprobity     ?  False  
 497   497  mm-40     -59.5   -31.0  Favored   6   9  0.39  12  0.40  molprobity     ?  False  
 498   498  ?         161.7  -146.7  Favored   3   4  0.31   5  0.18  molprobity     1  True   
 499   499  m-85     -133.4   137.0  Favored   9  12  0.39  16  0.16  molprobity     1  True   
 500   500  mt-30     -95.0   126.9  Favored   8   9  0.42  12  0.35  molprobity     1  True   
 501   501  m-85     -115.9   124.0  Favored   9  13  0.34  18  0.23  molprobity     1  True   
 502   502  ttt180    -97.8   124.4  Favored  13  11  1.21  14  0.79  molprobity     1  True   
 503   503  ?         -69.1   126.6  Favored   5   5  0.37   7  0.26  molprobity     1  True   
 504   504  mt        -85.7   -55.4  Favored  11   8  0.41  11  0.21  molprobity     1  True   
 505   505  m-85     -115.2   150.1  Favored   9  13  0.45  19  0.36  molprobity     1  True   
 506   506  Cg_endo   -74.0   120.0  Favored   7   8  0.39  11  0.35  molprobity     1  True   
 507   507  m-85     -129.8   111.0  Favored   9  12  0.37  16  0.22  molprobity     1  True   
 508   508  mtm-85    -87.0   160.5  Favored  13  11  1.28  14  0.55  molprobity     ?  False  
 509   509  mpt_?    -107.8   135.3  Favored  13  11  1.27  14  0.76  molprobity     ?  False  
 510   510  tp10      -73.4   -45.2  Favored   6   9  0.32  12  0.49  molprobity     ?  False  
 511   511  mmt180   -111.9   120.1  Favored  13  11  1.26  15  0.53  molprobity     ?  False  
 512   512  Cg_exo    -59.1    -1.4  Allowed   7   8  0.48  11  0.33  molprobity     ?  False  
 513   513  mm-40     -56.4   -39.5  Favored   6   9  0.45  12  0.40  molprobity     ?  False  
 514   514  t70       -89.7   164.0  Favored   4   8  0.45  11  0.48  molprobity     ?  False  
 515   515  tp        -99.5   133.3  Favored  11   8  0.45  11  0.19  molprobity     1  True   
 516   516  mt-10     -78.3   149.9  Favored   6   9  0.36  12  0.33  molprobity     1  True   
 517   517  mt       -127.2   125.7  Favored  11   8  0.41  11  0.22  molprobity     1  True   
 518   518  mm?      -112.5   152.6  Favored  11   8  0.55  12  0.42  molprobity     1  True   
 519   519  Cg_endo   -65.8   105.5  Allowed   7   8  0.33  11  0.28  molprobity     1  True   
 520   520  ?         120.2   -15.6  Favored   3   4  0.49   5  0.10  molprobity     1  True   
 521   521  m-20      -60.0   118.3  Favored   4   8  0.28  11  0.46  molprobity     1  True   
 522   522  t         -94.5    92.6  Favored   9   7  0.33  10  0.36  molprobity     1  True   
 523   523  mp        -78.8   120.5  Favored  11   8  0.39  11  0.28  molprobity     1  True   
 524   524  t         -93.1   112.0  Favored   9   7  0.31  10  0.46  molprobity     1  True   
 525   525  t        -103.1   122.5  Favored   9   7  0.32  10  0.43  molprobity     1  True   
 526   526  p         -68.1   139.7  Favored   5   6  0.47   8  0.22  molprobity     1  True   
 527   527  ttt85     -64.0   -32.4  Favored  13  11  1.22  14  0.46  molprobity     1  True   
 528   528  ?         -58.4   -41.8  Favored   5   5  0.30   7  0.18  molprobity     1  True   
 529   529  ?         -59.6   -43.5  Favored   5   5  0.30   7  0.25  molprobity     1  True   
 530   530  mt        -59.0   -42.5  Favored  11   8  0.39  11  0.19  molprobity     1  True   
 531   531  mm-40     -64.5   -37.1  Favored   8   9  0.40  12  0.29  molprobity     1  True   
 532   532  ?         -66.4   -34.2  Favored   5   5  0.36   7  0.27  molprobity     1  True   
 533   533  mt        -72.5   -20.9  Favored  11   8  0.40  11  0.36  molprobity     1  True   
 534   534  ?          83.6    28.6  Favored   3   4  0.47   5  0.20  molprobity     1  True   
 535   535  t         -78.7   124.7  Favored   9   7  0.34  10  0.43  molprobity     1  True   
 536   536  ?         -69.7   139.3  Favored   5   5  0.28   7  0.27  molprobity     1  True   
 537   537  OUTLIER   -56.1   122.3  Favored   6   9  0.49  12  0.45  molprobity     1  True   
 538   538  ?         112.8   -13.3  Favored   3   4  0.51   5  0.26  molprobity     1  True   
 539   539  ?         -83.0   -25.3  Favored   3   4  0.45   5  0.13  molprobity     1  True   
 540   540  OUTLIER   -58.9   -28.4  Favored   6   9  0.46  12  0.37  molprobity     1  True   
 541   541  mtm180    -56.5   -29.1  Favored  13  11  1.21  14  0.33  molprobity     1  True   
 542   542  m        -133.3    84.8  Favored   5   6  0.47   9  0.52  molprobity     1  True   
 543   543  Cg_endo   -57.9   -23.6  Favored   7   8  0.45  11  0.26  molprobity     1  True   
 544   544  pt20      -60.2   -24.3  Favored   8   9  0.40  12  0.30  molprobity     1  True   
 545   545  t         -66.5   -31.6  Favored   5   6  0.48   8  0.29  molprobity     1  True   
 546   546  t         -92.1   -57.2  Favored   9   7  0.38  10  0.44  molprobity     1  True   
 547   547  ?         112.9   -88.9  Allowed   3   4  0.41   5  0.10  molprobity     1  True   
 548   548  m0       -103.2   107.3  Favored  10  16  0.24  23  0.29  molprobity     1  True   
 549   549  mpp?     -116.2   137.8  Favored   9   8  0.41  11  0.53  molprobity     1  True   
 550   550  Cg_endo   -74.7   117.8  Favored   7   8  0.33  11  0.28  molprobity     1  True   
 551   551  ?        -137.9   172.5  Favored   3   4  0.43   5  0.23  molprobity     1  True   
 552   552  tp        -97.7   114.4  Favored  11   8  0.42  11  0.22  molprobity     1  True   
 553   553  t-20      -74.5   123.1  Favored   6   8  0.45  11  0.35  molprobity     1  True   
 554   554  mm-40     -72.6   -19.6  Favored   6   9  0.45  12  0.41  molprobity     1  True   
 555   555  tpm_?     -66.0   -59.9  Favored  13  11  1.18  14  0.51  molprobity     1  True   
 556   556  p        -122.9     6.2  Favored   7   7  0.48  10  0.55  molprobity     1  True   
 557   557  OUTLIER    67.3    32.5  Favored  13  11  1.22  14  0.48  molprobity     1  True   
 558   558  mm-40     -79.2   130.6  Favored   8   9  0.38  12  0.34  molprobity     1  True   
 559   559  mtp85     -98.5   121.6  Favored  13  11  1.09  14  0.46  molprobity     1  True   
 560   560  ?        -175.0  -177.8  Favored   3   4  0.31   5  0.24  molprobity     1  True   
 561   561  m-20      -88.2   119.9  Favored   4   8  0.23  11  0.39  molprobity     1  True   
 562   562  p90      -114.8   145.8  Favored   9  12  0.43  17  0.36  molprobity     1  True   
 563   563  Cg_endo   -72.5   109.5  Favored   7   8  0.37  11  0.28  molprobity     1  True   
 564   564  ?         -74.4    34.1  Allowed   3   4  0.62   5  0.24  molprobity     1  True   
 565   565  p        -102.9   -26.7  Favored   7   7  0.39  10  0.56  molprobity     1  True   
 566   566  m-85     -105.6    15.5  Favored   9  13  0.37  18  0.25  molprobity     1  True   
 567   567  m        -118.7   161.3  Favored   9   7  0.38  10  0.45  molprobity     1  True   
 568   568  pt-20    -110.1   138.1  Favored   6   9  0.37  12  0.37  molprobity     1  True   
 569   569  t80       -77.8   116.6  Favored   9  12  0.39  16  0.24  molprobity     1  True   
 570   570  mt        -86.4   -48.3  Favored  11   8  0.36  11  0.24  molprobity     1  True   
 571   571  ?         131.2  -165.2  Favored   3   4  0.37   6  0.60  molprobity     1  True   
 572   572  Cg_endo   -65.5   166.4  Favored   7   8  0.33  11  0.21  molprobity     1  True   
 573   573  mp        -84.4   159.0  Favored  11   8  0.37  11  0.30  molprobity     1  True   
 574   574  pt-20         ?       ?  ?         6   8  0.68   9  0.44  molprobity     ?  False  
 575   575  pmm?          ?       ?  ?        11   8  0.65  10  0.32  molprobity     ?  False  
 576   576  ?         -54.6   -47.7  Favored   5   5  0.36   7  0.34  molprobity     ?  False  
 577   577  ?         113.1   166.2  Favored   3   4  0.48   6  0.57  molprobity     ?  False  
 578   578  Cg_exo    -68.6    77.3  Allowed   7   8  0.39  11  0.31  molprobity     ?  False  
 579   579  mm-40     -67.4   -35.2  Favored   6   9  0.43  12  0.41  molprobity     ?  False  
 580   580  ?        -147.8   166.2  Favored   3   4  0.39   5  0.22  molprobity     1  True   
 581   581  m-85     -130.1   148.2  Favored   9  12  0.42  16  0.19  molprobity     1  True   
 582   582  mt-30    -103.6   143.9  Favored   8   9  0.42  12  0.36  molprobity     1  True   
 583   583  m-85     -132.1   125.9  Favored   9  13  0.38  18  0.23  molprobity     1  True   
 584   584  ttp180    -98.6   116.5  Favored  13  11  1.19  14  0.28  molprobity     1  True   
 585   585  ?         -70.0   113.9  Favored   5   5  0.37   7  0.25  molprobity     1  True   
 586   586  mt        -77.9   -39.1  Favored  11   8  0.37  11  0.27  molprobity     1  True   
 587   587  m-85     -126.3   145.8  Favored   9  13  0.44  19  0.40  molprobity     1  True   
 588   588  Cg_endo   -65.9   131.6  Favored   7   8  0.34  11  0.23  molprobity     1  True   
 589   589  t80      -133.5   117.8  Favored   9  12  0.36  16  0.20  molprobity     1  True   
 590   590  ptm180    -77.4   131.5  Favored  13  11  1.22  14  0.65  molprobity     ?  False  
 591   591  OUTLIER   -72.9   151.4  Favored  13  11  1.24  14  0.50  molprobity     ?  False  
 592   592  tp10      -46.5   -26.5  Allowed   6   9  0.43  12  0.57  molprobity     ?  False  
 593   593  ttm180   -157.1   131.9  Favored  13  11  1.21  15  0.59  molprobity     ?  False  
 594   594  Cg_exo    -56.7    -9.3  Favored   7   8  0.52  11  0.33  molprobity     ?  False  
 595   595  tt0       -69.2   -30.8  Favored   6   9  0.40  12  0.44  molprobity     ?  False  
 596   596  m-20      -96.5  -164.3  Allowed   4   8  0.38  11  0.44  molprobity     ?  False  
 597   597  tp        -99.6   130.3  Favored  11   8  0.43  11  0.34  molprobity     1  True   
 598   598  mt-10    -101.3   166.3  Favored   6   9  0.37  12  0.30  molprobity     1  True   
 599   599  mt       -115.0   142.5  Favored  11   8  0.50  11  0.34  molprobity     1  True   
 600   600  mm?      -121.6   151.2  Favored  11   8  0.63  12  0.44  molprobity     1  True   
 601   601  Cg_endo   -71.4   129.2  Favored   7   8  0.44  11  0.31  molprobity     1  True   
 602   602  ?          75.3    22.8  Favored   3   4  0.43   5  0.19  molprobity     1  True   
 603   603  t0       -106.0   157.8  Favored   4   8  0.30  11  0.37  molprobity     1  True   
 604   604  t        -118.9   133.2  Favored   9   7  0.36  10  0.46  molprobity     1  True   
 605   605  mp       -121.4   139.2  Favored  11   8  0.44  11  0.24  molprobity     1  True   
 606   606  t        -106.3   124.9  Favored   9   7  0.44  10  0.46  molprobity     1  True   
 607   607  t        -125.0   124.4  Favored   9   7  0.38  10  0.41  molprobity     1  True   
 608   608  m         -95.1   160.0  Favored   5   6  0.51   8  0.30  molprobity     1  True   
 609   609  mtt180    -50.8   -38.9  Favored  13  11  1.16  14  0.56  molprobity     1  True   
 610   610  ?         -50.7   -37.4  Favored   5   5  0.46   7  0.24  molprobity     1  True   
 611   611  ?         -77.1   -49.1  Favored   5   5  0.26   7  0.24  molprobity     1  True   
 612   612  mt        -58.5   -46.1  Favored  11   8  0.43  11  0.17  molprobity     1  True   
 613   613  mt-30     -61.6   -35.7  Favored   8   9  0.37  12  0.25  molprobity     1  True   
 614   614  ?         -65.8   -33.2  Favored   5   5  0.40   7  0.29  molprobity     1  True   
 615   615  mt        -76.3   -28.7  Favored  11   8  0.35  11  0.31  molprobity     1  True   
 616   616  ?         105.0    17.0  Favored   3   4  0.38   5  0.14  molprobity     1  True   
 617   617  t         -83.7   130.7  Favored   9   7  0.34  10  0.41  molprobity     1  True   
 618   618  ?        -109.5   152.6  Favored   5   5  0.37   7  0.33  molprobity     1  True   
 619   619  mm-40     -40.6   112.0  Allowed   6   9  0.48  12  0.44  molprobity     1  True   
 620   620  ?         123.9   -17.1  Favored   3   4  0.46   5  0.32  molprobity     1  True   
 621   621  ?         -91.7   -33.4  Favored   3   4  0.45   5  0.17  molprobity     1  True   
 622   622  OUTLIER   -60.2   -33.0  Favored   6   9  0.57  12  0.45  molprobity     1  True   
 623   623  ptp180    -68.1    -5.4  Favored  13  11  1.28  14  0.70  molprobity     1  True   
 624   624  m        -141.4    81.9  Favored   5   6  0.39   9  0.55  molprobity     1  True   
 625   625  Cg_endo   -56.1   -16.2  Favored   7   8  0.44  11  0.29  molprobity     1  True   
 626   626  pt20      -59.1   -31.2  Favored   8   9  0.37  12  0.27  molprobity     1  True   
 627   627  t         -82.7   -23.9  Favored   5   6  0.52   8  0.20  molprobity     1  True   
 628   628  t         -71.7   -44.9  Favored   9   7  0.40  10  0.38  molprobity     1  True   
 629   629  ?          76.5   -76.5  Allowed   3   4  0.42   5  0.18  molprobity     1  True   
 630   630  p-90     -121.3   129.2  Favored  10  16  0.28  23  0.21  molprobity     1  True   
 631   631  ptt?     -152.8   145.0  Favored   9   8  0.40  11  0.53  molprobity     1  True   
 632   632  Cg_endo   -90.1   124.9  Allowed   7   8  0.41  11  0.38  molprobity     1  True   
 633   633  ?        -146.9   176.6  Favored   3   4  0.40   5  0.23  molprobity     1  True   
 634   634  tp        -97.5   132.1  Favored  11   8  0.39  11  0.20  molprobity     1  True   
 635   635  t-20      -95.0   143.4  Favored   6   8  0.35  11  0.29  molprobity     1  True   
 636   636  mm-40     -84.8   -55.8  Favored   6   9  0.44  12  0.41  molprobity     1  True   
 637   637  ttt180    -64.6   -56.0  Favored  13  11  1.22  14  0.50  molprobity     1  True   
 638   638  p         -81.5   -17.1  Favored   7   7  0.49  10  0.59  molprobity     1  True   
 639   639  mtp180     61.6    18.1  Favored  13  11  1.20  14  0.66  molprobity     1  True   
 640   640  mt-30     -86.5   164.7  Favored   8   9  0.42  12  0.37  molprobity     1  True   
 641   641  mtm180   -128.9   131.6  Favored  13  11  1.18  14  0.70  molprobity     1  True   
 642   642  ?         172.2  -170.3  Favored   3   4  0.34   5  0.36  molprobity     1  True   
 643   643  t70       -89.2   123.2  Favored   4   8  0.30  11  0.36  molprobity     1  True   
 644   644  p90      -129.8   151.3  Favored   9  12  0.49  17  0.36  molprobity     1  True   
 645   645  Cg_endo   -77.3   120.4  Favored   7   8  0.38  11  0.29  molprobity     1  True   
 646   646  ?         -77.6    16.2  Favored   3   4  0.59   5  0.21  molprobity     1  True   
 647   647  m         -81.3   -20.6  Favored   7   7  0.46  10  0.42  molprobity     1  True   
 648   648  m-85     -104.9    12.3  Favored   9  13  0.42  18  0.33  molprobity     1  True   
 649   649  m        -122.0   146.0  Favored   9   7  0.40  10  0.61  molprobity     1  True   
 650   650  mm-40     -93.7   130.7  Favored   6   9  0.40  12  0.45  molprobity     1  True   
 651   651  t80       -70.4   100.2  Allowed   9  12  0.39  16  0.17  molprobity     1  True   
 652   652  mt        -74.8   -47.7  Favored  11   8  0.38  11  0.32  molprobity     1  True   
 653   653  ?         148.8   177.0  Favored   3   4  0.53   6  0.60  molprobity     1  True   
 654   654  Cg_exo    -80.3   137.6  Favored   7   8  0.44  11  0.41  molprobity     1  True   
 655   655  mp        -80.1   148.3  Favored  11   8  0.42  11  0.30  molprobity     1  True   
 656   656  tt0           ?       ?  ?         6   8  0.63   9  0.39  molprobity     ?  False  
 657   657  OUTLIER       ?       ?  ?        11   8  0.63  10  0.33  molprobity     ?  False  
 658   658  ?         -83.1  -158.2  Allowed   5   5  0.63   7  0.70  molprobity     ?  False  
 659   659  ?        -173.5   -82.2  OUTLIER   3   4  0.84   6  0.73  molprobity     ?  False  
 660   660  Cg_exo    -68.0    16.0  Allowed   7   8  0.63  11  0.69  molprobity     ?  False  
 661   661  tp10      -62.8   -31.4  Favored   6   9  0.39  12  0.41  molprobity     ?  False  
 662   662  ?        -175.2  -174.7  Favored   3   4  0.27   5  0.19  molprobity     1  True   
 663   663  m-85     -131.6   146.2  Favored   9  12  0.41  16  0.26  molprobity     1  True   
 664   664  mt-30    -101.4   128.3  Favored   8   9  0.38  12  0.28  molprobity     1  True   
 665   665  m-85     -119.4   128.2  Favored   9  13  0.33  18  0.20  molprobity     1  True   
 666   666  ttp180    -98.1   121.0  Favored  13  11  1.22  14  0.46  molprobity     1  True   
 667   667  ?         -74.1   114.7  Favored   5   5  0.39   7  0.22  molprobity     1  True   
 668   668  mt        -82.2   -43.7  Favored  11   8  0.36  11  0.24  molprobity     1  True   
 669   669  m-85     -117.7   140.9  Favored   9  13  0.43  19  0.40  molprobity     1  True   
 670   670  Cg_endo   -65.7   123.6  Favored   7   8  0.35  11  0.31  molprobity     1  True   
 671   671  t80      -116.4   113.6  Favored   9  12  0.36  16  0.18  molprobity     1  True   
 672   672  ptm180    -89.2   147.6  Favored  13  11  1.20  14  0.58  molprobity     ?  False  
 673   673  tpt180   -119.2   124.3  Favored  13  11  1.19  14  0.29  molprobity     ?  False  
 674   674  tp10      -59.8   -28.1  Favored   6   9  0.38  12  0.41  molprobity     ?  False  
 675   675  mmm180   -117.4   113.2  Favored  13  11  1.21  15  0.59  molprobity     ?  False  
 676   676  Cg_endo   -62.1     6.6  Allowed   7   8  0.60  11  0.35  molprobity     ?  False  
 677   677  mt-10     -71.9   -24.3  Favored   6   9  0.37  12  0.36  molprobity     ?  False  
 678   678  m-20      -94.5  -169.7  Favored   4   8  0.33  11  0.32  molprobity     ?  False  
 679   679  tp       -107.8   119.6  Favored  11   8  0.41  11  0.24  molprobity     1  True   
 680   680  mt-10     -84.5   142.4  Favored   6   9  0.32  12  0.36  molprobity     1  True   
 681   681  mt       -116.2   142.0  Favored  11   8  0.41  11  0.29  molprobity     1  True   
 682   682  mm?      -114.9   153.5  Favored  11   8  0.60  12  0.41  molprobity     1  True   
 683   683  Cg_endo   -61.7   117.2  Favored   7   8  0.38  11  0.28  molprobity     1  True   
 684   684  ?          97.3    16.9  Favored   3   4  0.40   5  0.19  molprobity     1  True   
 685   685  m-20      -77.2   135.7  Favored   4   8  0.26  11  0.45  molprobity     1  True   
 686   686  t        -100.2    97.1  Favored   9   7  0.35  10  0.38  molprobity     1  True   
 687   687  mp        -82.0   132.9  Favored  11   8  0.39  11  0.33  molprobity     1  True   
 688   688  t         -94.0   109.4  Favored   9   7  0.31  10  0.37  molprobity     1  True   
 689   689  t        -118.2   117.9  Favored   9   7  0.36  10  0.42  molprobity     1  True   
 690   690  p         -68.0   141.5  Favored   5   6  0.42   8  0.26  molprobity     1  True   
 691   691  ppt_?     -67.0   -23.8  Favored  13  11  1.20  14  0.43  molprobity     1  True   
 692   692  ?         -62.5   -38.2  Favored   5   5  0.23   7  0.20  molprobity     1  True   
 693   693  ?         -60.9   -44.2  Favored   5   5  0.30   7  0.24  molprobity     1  True   
 694   694  mt        -58.8   -45.1  Favored  11   8  0.35  11  0.21  molprobity     1  True   
 695   695  mt-30     -59.8   -40.4  Favored   8   9  0.36  12  0.21  molprobity     1  True   
 696   696  ?         -63.5   -35.2  Favored   5   5  0.34   7  0.29  molprobity     1  True   
 697   697  mt        -75.2   -17.6  Favored  11   8  0.43  11  0.21  molprobity     1  True   
 698   698  ?          94.0    18.2  Favored   3   4  0.50   5  0.14  molprobity     1  True   
 699   699  t         -83.6   114.4  Favored   9   7  0.40  10  0.44  molprobity     1  True   
 700   700  ?         -91.6   151.0  Favored   5   5  0.37   7  0.18  molprobity     1  True   
 701   701  pt-20     -50.1   146.1  Favored   6   9  0.37  12  0.38  molprobity     1  True   
 702   702  ?         102.1   -26.3  Favored   3   4  0.40   5  0.33  molprobity     1  True   
 703   703  ?        -117.9     1.5  Favored   3   4  0.41   5  0.16  molprobity     1  True   
 704   704  OUTLIER   -63.9   -38.4  Favored   6   9  0.50  12  0.43  molprobity     1  True   
 705   705  ptt180    -81.5     9.8  Favored  13  11  1.22  14  0.40  molprobity     1  True   
 706   706  m        -122.4    72.9  Favored   5   6  0.54   9  0.50  molprobity     1  True   
 707   707  Cg_endo   -63.7   -23.1  Favored   7   8  0.40  11  0.22  molprobity     1  True   
 708   708  tp60      -57.4   -34.6  Favored   8   9  0.40  12  0.28  molprobity     1  True   
 709   709  t         -71.8   -41.6  Favored   5   6  0.47   8  0.26  molprobity     1  True   
 710   710  t         -65.5   -38.3  Favored   9   7  0.40  10  0.46  molprobity     1  True   
 711   711  ?          95.0   -79.1  Allowed   3   4  0.41   5  0.14  molprobity     1  True   
 712   712  p-90     -121.1   142.4  Favored  10  16  0.24  23  0.15  molprobity     1  True   
 713   713  mtm      -138.9   140.7  Favored   9   8  0.41  11  0.55  molprobity     1  True   
 714   714  Cg_endo   -83.2   117.5  Favored   7   8  0.42  11  0.35  molprobity     1  True   
 715   715  ?        -148.7   178.3  Favored   3   4  0.47   5  0.29  molprobity     1  True   
 716   716  tp       -104.2   132.7  Favored  11   8  0.41  11  0.27  molprobity     1  True   
 717   717  t-20     -100.0   149.2  Favored   6   8  0.46  11  0.32  molprobity     1  True   
 718   718  mm-40     -92.0   -35.8  Favored   6   9  0.48  12  0.40  molprobity     1  True   
 719   719  tpp180    -56.7   -51.6  Favored  13  11  1.27  14  0.67  molprobity     1  True   
 720   720  p        -100.1   -15.0  Favored   7   7  0.41  10  0.59  molprobity     1  True   
 721   721  mtp180     64.2    18.1  Favored  13  11  1.27  14  0.26  molprobity     1  True   
 722   722  mm100    -103.4   157.5  Favored   8   9  0.39  12  0.35  molprobity     1  True   
 723   723  mtp180    -98.3   149.7  Favored  13  11  1.18  14  0.33  molprobity     1  True   
 724   724  ?         176.3  -178.7  Favored   3   4  0.31   5  0.19  molprobity     1  True   
 725   725  m-20      -96.1   125.0  Favored   4   8  0.25  11  0.38  molprobity     1  True   
 726   726  p90      -123.7   143.0  Favored   9  12  0.42  17  0.41  molprobity     1  True   
 727   727  Cg_endo   -68.7   116.1  Favored   7   8  0.41  11  0.23  molprobity     1  True   
 728   728  ?         -59.6   -17.6  Favored   3   4  0.61   5  0.32  molprobity     1  True   
 729   729  t         -57.0   -32.5  Favored   7   7  0.54  10  0.53  molprobity     1  True   
 730   730  m-85      -81.3   -16.9  Favored   9  13  0.43  18  0.32  molprobity     1  True   
 731   731  m        -108.9   145.4  Favored   9   7  0.38  10  0.50  molprobity     1  True   
 732   732  pt-20    -111.5   154.7  Favored   6   9  0.44  12  0.32  molprobity     1  True   
 733   733  t80       -84.1   126.5  Favored   9  12  0.37  16  0.19  molprobity     1  True   
 734   734  mt       -100.0   -68.1  Allowed  11   8  0.44  11  0.26  molprobity     1  True   
 735   735  ?        -176.8  -178.7  Favored   3   4  0.47   6  0.60  molprobity     1  True   
 736   736  Cg_exo    -72.8   166.2  Favored   7   8  0.48  11  0.37  molprobity     1  True   
 737   737  pp       -127.6   151.2  Favored  11   8  0.46  11  0.36  molprobity     1  True   
 738   738  pt-20         ?       ?  ?         6   8  0.71   9  0.47  molprobity     ?  False  
 739   739  mmt           ?       ?  ?        11   8  0.64  10  0.24  molprobity     ?  False  
 740   740  ?        -164.2   149.3  Favored   5   5  0.47   7  0.24  molprobity     ?  False  
 741   741  ?        -120.9    91.1  Allowed   3   4  0.68   6  0.63  molprobity     ?  False  
 742   742  Cg_endo   -70.4   176.1  Favored   7   8  0.43  11  0.46  molprobity     ?  False  
 743   743  mm-40     -77.3    12.6  Allowed   6   9  0.47  12  0.59  molprobity     ?  False  
 744   744  ?         -91.4  -167.5  Favored   3   4  0.39   5  0.44  molprobity     1  True   
 745   745  m-85     -119.5   147.9  Favored   9  12  0.36  16  0.24  molprobity     1  True   
 746   746  mt-30     -92.8   133.1  Favored   8   9  0.38  12  0.29  molprobity     1  True   
 747   747  m-85     -118.4   139.2  Favored   9  13  0.37  18  0.22  molprobity     1  True   
 748   748  ttm180   -108.0   127.7  Favored  13  11  1.22  14  0.35  molprobity     1  True   
 749   749  ?         -82.4   128.2  Favored   5   5  0.32   7  0.14  molprobity     1  True   
 750   750  mt        -68.3   -62.1  Allowed  11   8  0.47  11  0.32  molprobity     1  True   
 751   751  m-85     -118.2   171.9  Favored   9  13  0.41  19  0.35  molprobity     1  True   
 752   752  Cg_endo   -70.8   117.7  Favored   7   8  0.36  11  0.25  molprobity     1  True   
 753   753  m-85     -112.9   122.1  Favored   9  12  0.39  16  0.35  molprobity     1  True   
 754   754  ptp180    -82.8   153.9  Favored  13  11  1.18  14  0.44  molprobity     ?  False  
 755   755  mmm180   -116.7   154.8  Favored  13  11  1.13  14  0.39  molprobity     ?  False  
 756   756  mt-10     -67.1   -42.3  Favored   6   9  0.35  12  0.41  molprobity     ?  False  
 757   757  mtp85    -122.0   147.8  Favored  13  11  1.23  15  0.63  molprobity     ?  False  
 758   758  Cg_exo    -69.5    -2.1  Favored   7   8  0.44  11  0.36  molprobity     ?  False  
 759   759  mt-10     -80.4   -16.1  Favored   6   9  0.41  12  0.47  molprobity     ?  False  
 760   760  m-20      -86.8  -165.2  Allowed   4   8  0.30  11  0.38  molprobity     ?  False  
 761   761  tp       -125.1   123.7  Favored  11   8  0.44  11  0.18  molprobity     1  True   
 762   762  mp0       -76.0   155.8  Favored   6   9  0.44  12  0.40  molprobity     1  True   
 763   763  mt       -112.1   143.1  Favored  11   8  0.38  11  0.19  molprobity     1  True   
 764   764  mm?      -114.7   154.3  Favored  11   8  0.61  12  0.40  molprobity     1  True   
 765   765  Cg_endo   -62.8   120.5  Favored   7   8  0.42  11  0.26  molprobity     1  True   
 766   766  ?          66.7    20.1  Favored   3   4  0.44   5  0.13  molprobity     1  True   
 767   767  t70       -86.8   155.6  Favored   4   8  0.25  11  0.45  molprobity     1  True   
 768   768  t        -108.3   129.6  Favored   9   7  0.34  10  0.49  molprobity     1  True   
 769   769  mp       -124.4   121.3  Favored  11   8  0.45  11  0.21  molprobity     1  True   
 770   770  t         -94.1   124.1  Favored   9   7  0.38  10  0.47  molprobity     1  True   
 771   771  t        -115.0   118.3  Favored   9   7  0.43  10  0.42  molprobity     1  True   
 772   772  m         -68.3   142.4  Favored   5   6  0.49   8  0.25  molprobity     1  True   
 773   773  mtm180    -60.5   -30.4  Favored  13  11  1.27  14  0.40  molprobity     1  True   
 774   774  ?         -56.6   -45.4  Favored   5   5  0.31   7  0.31  molprobity     1  True   
 775   775  ?         -63.2   -40.8  Favored   5   5  0.27   7  0.21  molprobity     1  True   
 776   776  mt        -56.8   -46.8  Favored  11   8  0.38  11  0.19  molprobity     1  True   
 777   777  mt-30     -61.6   -39.7  Favored   8   9  0.36  12  0.18  molprobity     1  True   
 778   778  ?         -59.0   -43.9  Favored   5   5  0.38   7  0.29  molprobity     1  True   
 779   779  mt        -66.8   -28.6  Favored  11   8  0.40  11  0.30  molprobity     1  True   
 780   780  ?          97.3    27.6  Favored   3   4  0.46   5  0.20  molprobity     1  True   
 781   781  t         -91.3   118.5  Favored   9   7  0.31  10  0.42  molprobity     1  True   
 782   782  ?         -80.5   149.8  Favored   5   5  0.28   7  0.25  molprobity     1  True   
 783   783  tt0       -58.2   119.2  Favored   6   9  0.39  12  0.36  molprobity     1  True   
 784   784  ?         116.8    -4.8  Favored   3   4  0.48   5  0.21  molprobity     1  True   
 785   785  ?        -111.0   -33.3  Favored   3   4  0.57   5  0.30  molprobity     1  True   
 786   786  OUTLIER   -57.0   -21.2  Favored   6   9  0.54  12  0.38  molprobity     1  True   
 787   787  ptt180    -57.8   -21.2  Favored  13  11  1.13  14  0.36  molprobity     1  True   
 788   788  m        -134.5    88.4  Favored   5   6  0.42   9  0.51  molprobity     1  True   
 789   789  Cg_endo   -57.7   -16.9  Favored   7   8  0.45  11  0.27  molprobity     1  True   
 790   790  pp0?      -57.6   -22.4  Favored   8   9  0.49  12  0.37  molprobity     1  True   
 791   791  t         -77.8    -9.8  Favored   5   6  0.56   8  0.25  molprobity     1  True   
 792   792  t        -106.5   -37.8  Favored   9   7  0.42  10  0.47  molprobity     1  True   
 793   793  ?          95.4   -78.2  Allowed   3   4  0.43   5  0.24  molprobity     1  True   
 794   794  OUTLIER  -120.8   137.4  Favored  10  16  0.30  23  0.23  molprobity     1  True   
 795   795  mtp      -139.5   139.4  Favored   9   8  0.42  11  0.56  molprobity     1  True   
 796   796  Cg_endo   -82.2   117.4  Favored   7   8  0.39  11  0.35  molprobity     1  True   
 797   797  ?        -143.6   171.6  Favored   3   4  0.44   5  0.32  molprobity     1  True   
 798   798  tp        -96.7   109.2  Favored  11   8  0.37  11  0.23  molprobity     1  True   
 799   799  t-20      -79.7   116.6  Favored   6   8  0.37  11  0.26  molprobity     1  True   
 800   800  mm-40     -69.9   -21.5  Favored   6   9  0.42  12  0.36  molprobity     1  True   
 801   801  OUTLIER   -60.6   -35.6  Favored  13  11  1.21  14  0.51  molprobity     1  True   
 802   802  p        -119.6    -8.6  Favored   7   7  0.46  10  0.58  molprobity     1  True   
 803   803  mmm-85     62.4    17.6  Favored  13  11  1.19  14  1.13  molprobity     1  True   
 804   804  mm-40    -107.1   154.3  Favored   8   9  0.42  12  0.31  molprobity     1  True   
 805   805  ttp180   -101.2   134.7  Favored  13  11  1.21  14  0.70  molprobity     1  True   
 806   806  ?        -157.0   172.1  Favored   3   4  0.40   5  0.16  molprobity     1  True   
 807   807  t70       -90.7   113.2  Favored   4   8  0.31  11  0.33  molprobity     1  True   
 808   808  p90      -121.5   149.3  Favored   9  12  0.43  17  0.35  molprobity     1  True   
 809   809  Cg_exo    -66.3    95.2  Allowed   7   8  0.45  11  0.32  molprobity     1  True   
 810   810  ?         -58.2   -19.7  Favored   3   4  0.56   5  0.17  molprobity     1  True   
 811   811  t         -61.8   -15.1  Favored   7   7  0.52  10  0.57  molprobity     1  True   
 812   812  m-85     -102.1    -1.5  Favored   9  13  0.41  18  0.34  molprobity     1  True   
 813   813  m        -114.0   163.9  Favored   9   7  0.40  10  0.44  molprobity     1  True   
 814   814  pt-20    -117.1   148.8  Favored   6   9  0.36  12  0.40  molprobity     1  True   
 815   815  t80       -79.0   118.2  Favored   9  12  0.38  16  0.24  molprobity     1  True   
 816   816  mt        -90.0   -66.3  Allowed  11   8  0.41  11  0.24  molprobity     1  True   
 817   817  ?         166.6   178.2  Favored   3   4  0.58   6  0.65  molprobity     1  True   
 818   818  Cg_endo   -75.4   152.4  Favored   7   8  0.38  11  0.25  molprobity     1  True   
 819   819  mp        -80.8   112.5  Favored  11   8  0.35  11  0.23  molprobity     1  True   
 820   820  tm-20         ?       ?  ?         6   8  0.68   9  0.48  molprobity     ?  False  
 821   821  mmt           ?       ?  ?        11   8  0.58  10  0.25  molprobity     ?  False  
 822   822  ?         -61.0   -71.1  Allowed   5   5  0.41   7  0.45  molprobity     ?  False  
 823   823  ?         160.4   179.1  Favored   3   4  0.49   6  0.55  molprobity     ?  False  
 824   824  Cg_endo   -94.5    91.0  Allowed   7   8  0.35  11  0.32  molprobity     ?  False  
 825   825  mp0       -57.4   -29.8  Favored   6   9  0.42  12  0.38  molprobity     ?  False  
 826   826  ?         179.7  -172.8  Favored   3   4  0.30   5  0.26  molprobity     1  True   
 827   827  m-85     -129.2   171.3  Favored   9  12  0.39  16  0.22  molprobity     1  True   
 828   828  mt-30    -129.9   136.8  Favored   8   9  0.36  12  0.36  molprobity     1  True   
 829   829  m-85     -116.0   170.7  Favored   9  13  0.33  18  0.21  molprobity     1  True   
 830   830  ttm180   -135.8   128.7  Favored  13  11  1.27  14  0.51  molprobity     1  True   
 831   831  ?         -66.1   114.7  Favored   5   5  0.35   7  0.29  molprobity     1  True   
 832   832  mt        -81.5   -58.3  Favored  11   8  0.38  11  0.18  molprobity     1  True   
 833   833  m-85     -115.7   150.2  Favored   9  13  0.40  19  0.37  molprobity     1  True   
 834   834  Cg_endo   -70.9   118.0  Favored   7   8  0.32  11  0.27  molprobity     1  True   
 835   835  t80      -121.4   133.3  Favored   9  12  0.32  16  0.23  molprobity     1  True   
 836   836  mtm180   -125.7   159.0  Favored  13  11  1.18  14  0.65  molprobity     ?  False  
 837   837  OUTLIER  -122.5   145.5  Favored  13  11  1.14  14  0.43  molprobity     ?  False  
 838   838  pt-20     -58.9   -21.5  Favored   6   9  0.40  12  0.37  molprobity     ?  False  
 839   839  mtt180   -129.1   153.1  Favored  13  11  1.23  15  0.61  molprobity     ?  False  
 840   840  Cg_endo   -70.6     6.5  Allowed   7   8  0.48  11  0.26  molprobity     ?  False  
 841   841  tp10      -58.2   -54.0  Favored   6   9  0.40  12  0.45  molprobity     ?  False  
 842   842  m-20      -84.8  -179.9  Favored   4   8  0.37  11  0.40  molprobity     ?  False  
 843   843  tp       -100.7   119.8  Favored  11   8  0.42  11  0.21  molprobity     1  True   
 844   844  mp0       -79.6   138.2  Favored   6   9  0.52  12  0.37  molprobity     1  True   
 845   845  mt       -122.7   138.7  Favored  11   8  0.38  11  0.28  molprobity     1  True   
 846   846  mm?      -122.1   140.7  Favored  11   8  0.54  12  0.50  molprobity     1  True   
 847   847  Cg_endo   -57.9   106.3  Allowed   7   8  0.42  11  0.35  molprobity     1  True   
 848   848  ?         125.6    -1.1  Favored   3   4  0.55   5  0.65  molprobity     1  True   
 849   849  p30       -94.8   156.4  Favored   4   8  0.37  11  0.46  molprobity     1  True   
 850   850  t        -101.9   133.7  Favored   9   7  0.28  10  0.46  molprobity     1  True   
 851   851  mp       -106.6   110.3  Favored  11   8  0.35  11  0.22  molprobity     1  True   
 852   852  t         -93.5   120.2  Favored   9   7  0.35  10  0.40  molprobity     1  True   
 853   853  t        -125.9   135.3  Favored   9   7  0.42  10  0.45  molprobity     1  True   
 854   854  p         -92.0   148.2  Favored   5   6  0.45   8  0.21  molprobity     1  True   
 855   855  ptt180    -58.4   -28.4  Favored  13  11  1.11  14  0.33  molprobity     1  True   
 856   856  ?         -55.4   -39.5  Favored   5   5  0.39   7  0.30  molprobity     1  True   
 857   857  ?         -67.2   -45.1  Favored   5   5  0.32   7  0.26  molprobity     1  True   
 858   858  mt        -59.8   -42.5  Favored  11   8  0.40  11  0.20  molprobity     1  True   
 859   859  mm100     -61.9   -39.1  Favored   8   9  0.38  12  0.26  molprobity     1  True   
 860   860  ?         -64.2   -43.0  Favored   5   5  0.33   7  0.26  molprobity     1  True   
 861   861  mt        -66.7   -24.7  Favored  11   8  0.41  11  0.26  molprobity     1  True   
 862   862  ?          87.1    20.7  Favored   3   4  0.40   5  0.07  molprobity     1  True   
 863   863  t         -66.0   125.0  Favored   9   7  0.37  10  0.41  molprobity     1  True   
 864   864  ?         -67.4   131.2  Favored   5   5  0.31   7  0.18  molprobity     1  True   
 865   865  pt-20     -56.1   127.0  Favored   6   9  0.37  12  0.42  molprobity     1  True   
 866   866  ?         102.1    -2.9  Favored   3   4  0.50   5  0.25  molprobity     1  True   
 867   867  ?        -114.9    -7.7  Favored   3   4  0.48   5  0.18  molprobity     1  True   
 868   868  OUTLIER   -69.5   -20.1  Favored   6   9  0.50  12  0.38  molprobity     1  True   
 869   869  mtp180    -71.2   -13.7  Favored  13  11  1.25  14  0.49  molprobity     1  True   
 870   870  m        -119.8    84.6  Favored   5   6  0.44   9  0.50  molprobity     1  True   
 871   871  Cg_endo   -63.7   -27.2  Favored   7   8  0.37  11  0.21  molprobity     1  True   
 872   872  mp0       -67.2   -17.5  Favored   8   9  0.45  12  0.38  molprobity     1  True   
 873   873  m         -87.3   -25.2  Favored   5   6  0.40   8  0.22  molprobity     1  True   
 874   874  t         -88.1   -55.2  Favored   9   7  0.31  10  0.46  molprobity     1  True   
 875   875  ?         120.8   -92.2  Allowed   3   4  0.43   5  0.13  molprobity     1  True   
 876   876  OUTLIER  -121.1   141.4  Favored  10  16  0.32  23  0.26  molprobity     1  True   
 877   877  mpp?     -138.2   146.9  Favored   9   8  0.42  11  0.54  molprobity     1  True   
 878   878  Cg_endo   -79.2   126.7  Favored   7   8  0.40  11  0.32  molprobity     1  True   
 879   879  ?        -152.1   172.9  Favored   3   4  0.49   5  0.26  molprobity     1  True   
 880   880  tp        -97.5   119.1  Favored  11   8  0.40  11  0.19  molprobity     1  True   
 881   881  t-20      -91.0   121.4  Favored   6   8  0.43  11  0.21  molprobity     1  True   
 882   882  mt-10     -73.7    -8.1  Favored   6   9  0.48  12  0.52  molprobity     1  True   
 883   883  mtt-85    -81.7   -54.4  Favored  13  11  1.24  14  0.72  molprobity     1  True   
 884   884  p         -86.8   -11.6  Favored   7   7  0.42  10  0.56  molprobity     1  True   
 885   885  OUTLIER    62.6    16.9  Favored  13  11  1.25  14  0.69  molprobity     1  True   
 886   886  mm-40    -107.4   152.8  Favored   8   9  0.41  12  0.35  molprobity     1  True   
 887   887  OUTLIER   -98.6   129.6  Favored  13  11  1.22  14  0.37  molprobity     1  True   
 888   888  ?        -156.9   173.6  Favored   3   4  0.37   5  0.14  molprobity     1  True   
 889   889  m-20      -88.4   118.8  Favored   4   8  0.29  11  0.40  molprobity     1  True   
 890   890  p90      -117.3   148.8  Favored   9  12  0.49  17  0.40  molprobity     1  True   
 891   891  Cg_endo   -73.9   109.2  Favored   7   8  0.42  11  0.23  molprobity     1  True   
 892   892  ?         -63.6   -17.9  Favored   3   4  0.61   5  0.43  molprobity     1  True   
 893   893  t         -65.5   -15.3  Favored   7   7  0.47  10  0.50  molprobity     1  True   
 894   894  m-85      -99.8     3.0  Favored   9  13  0.38  18  0.24  molprobity     1  True   
 895   895  m        -124.0   153.1  Favored   9   7  0.36  10  0.48  molprobity     1  True   
 896   896  pt-20    -100.4   154.6  Favored   6   9  0.38  12  0.37  molprobity     1  True   
 897   897  t80       -89.9   113.7  Favored   9  12  0.39  16  0.17  molprobity     1  True   
 898   898  mt        -85.1   -61.7  Allowed  11   8  0.39  11  0.26  molprobity     1  True   
 899   899  ?         160.2  -155.0  Favored   3   4  0.54   6  0.67  molprobity     1  True   
 900   900  Cg_endo   -75.3   152.6  Favored   7   8  0.40  11  0.25  molprobity     1  True   
 901   901  pp        -91.3   161.1  Favored  11   8  0.50  11  0.47  molprobity     1  True   
 902   902  OUTLIER       ?       ?  ?         6   8  0.72   9  0.61  molprobity     ?  False  
 903   903  mmt           ?       ?  ?        11   8  0.59  10  0.36  molprobity     ?  False  
 904   904  ?        -118.5   -64.2  Allowed   5   5  0.36   7  0.32  molprobity     ?  False  
 905   905  ?          76.1  -124.8  Favored   3   4  0.74   6  0.68  molprobity     ?  False  
 906   906  Cg_exo    -71.0    25.0  Allowed   7   8  0.57  11  0.50  molprobity     ?  False  
 907   907  mm-40     -58.4   -30.9  Favored   6   9  0.46  12  0.37  molprobity     ?  False  
 908   908  ?        -173.6  -168.5  Favored   3   4  0.35   5  0.23  molprobity     1  True   
 909   909  m-85     -128.1   135.6  Favored   9  12  0.40  16  0.18  molprobity     1  True   
 910   910  mt-30     -97.8   136.1  Favored   8   9  0.40  12  0.40  molprobity     1  True   
 911   911  m-85     -113.3   169.3  Favored   9  13  0.34  18  0.21  molprobity     1  True   
 912   912  ttm-85   -119.2   127.8  Favored  13  11  1.14  14  0.52  molprobity     1  True   
 913   913  ?         -81.0   116.7  Favored   5   5  0.26   7  0.19  molprobity     1  True   
 914   914  mt        -75.1   -50.4  Favored  11   8  0.42  11  0.21  molprobity     1  True   
 915   915  m-85     -124.2   156.8  Favored   9  13  0.42  19  0.40  molprobity     1  True   
 916   916  Cg_endo   -72.0   128.3  Favored   7   8  0.29  11  0.32  molprobity     1  True   
 917   917  m-85     -125.0   123.4  Favored   9  12  0.36  16  0.22  molprobity     1  True   
 918   918  ptt180   -110.5   133.8  Favored  13  11  1.27  14  0.58  molprobity     ?  False  
 919   919  mmt85    -134.2   117.5  Favored  13  11  1.18  14  0.53  molprobity     ?  False  
 920   920  mt-10     -64.8   -26.5  Favored   6   9  0.35  12  0.43  molprobity     ?  False  
 921   921  mmt180    -88.7   112.0  Favored  13  11  1.23  15  0.54  molprobity     ?  False  
 922   922  Cg_endo   -63.9    -2.2  Favored   7   8  0.43  11  0.25  molprobity     ?  False  
 923   923  tt0       -58.5   -39.2  Favored   6   9  0.32  12  0.41  molprobity     ?  False  
 924   924  t70       -92.5  -154.4  Allowed   4   8  0.41  11  0.68  molprobity     ?  False  
 925   925  tp       -156.0   137.8  Favored  11   8  0.42  11  0.34  molprobity     1  True   
 926   926  mp0       -57.6   105.9  Allowed   6   9  0.43  12  0.34  molprobity     1  True   
 927   927  mt       -106.8   142.4  Favored  11   8  0.42  11  0.19  molprobity     1  True   
 928   928  mm?      -115.3   150.7  Favored  11   8  0.60  12  0.41  molprobity     1  True   
 929   929  Cg_endo   -66.8   116.0  Favored   7   8  0.34  11  0.27  molprobity     1  True   
 930   930  ?          85.2    21.8  Favored   3   4  0.35   5  0.21  molprobity     1  True   
 931   931  t70       -91.5   162.2  Favored   4   8  0.33  11  0.33  molprobity     1  True   
 932   932  t        -114.2   131.9  Favored   9   7  0.33  10  0.39  molprobity     1  True   
 933   933  mp       -108.1   116.8  Favored  11   8  0.38  11  0.21  molprobity     1  True   
 934   934  t         -93.7   108.7  Favored   9   7  0.31  10  0.42  molprobity     1  True   
 935   935  t        -105.9   128.8  Favored   9   7  0.33  10  0.37  molprobity     1  True   
 936   936  p         -71.3   147.3  Favored   5   6  0.47   8  0.27  molprobity     1  True   
 937   937  ttm180    -59.0   -35.5  Favored  13  11  1.21  14  0.34  molprobity     1  True   
 938   938  ?         -58.7   -43.3  Favored   5   5  0.30   7  0.17  molprobity     1  True   
 939   939  ?         -57.7   -47.9  Favored   5   5  0.31   7  0.20  molprobity     1  True   
 940   940  mt        -61.8   -45.2  Favored  11   8  0.42  11  0.15  molprobity     1  True   
 941   941  mm-40     -60.5   -37.9  Favored   8   9  0.40  12  0.26  molprobity     1  True   
 942   942  ?         -66.9   -40.5  Favored   5   5  0.36   7  0.24  molprobity     1  True   
 943   943  mt        -66.8   -20.2  Favored  11   8  0.45  11  0.29  molprobity     1  True   
 944   944  ?          84.9    22.1  Favored   3   4  0.38   5  0.19  molprobity     1  True   
 945   945  t         -68.4   104.5  Allowed   9   7  0.30  10  0.39  molprobity     1  True   
 946   946  ?         -67.5   147.0  Favored   5   5  0.25   7  0.33  molprobity     1  True   
 947   947  mt-10     -57.0   104.8  Allowed   6   9  0.36  12  0.32  molprobity     1  True   
 948   948  ?         136.1   -18.8  Favored   3   4  0.53   5  0.26  molprobity     1  True   
 949   949  ?        -101.2   -12.5  Favored   3   4  0.52   5  0.17  molprobity     1  True   
 950   950  OUTLIER   -63.6   -27.5  Favored   6   9  0.54  12  0.46  molprobity     1  True   
 951   951  mtm180    -80.3     9.2  Favored  13  11  1.27  14  0.61  molprobity     1  True   
 952   952  t        -138.4    75.2  Favored   5   6  0.45   9  0.51  molprobity     1  True   
 953   953  Cg_endo   -62.6   -34.4  Favored   7   8  0.33  11  0.24  molprobity     1  True   
 954   954  pp0?      -64.9   -29.3  Favored   8   9  0.47  12  0.44  molprobity     1  True   
 955   955  t         -74.3   -37.7  Favored   5   6  0.48   8  0.22  molprobity     1  True   
 956   956  t         -66.9   -40.3  Favored   9   7  0.40  10  0.44  molprobity     1  True   
 957   957  ?          95.1  -133.1  Favored   3   4  0.45   5  0.17  molprobity     1  True   
 958   958  m95       -73.0   117.0  Favored  10  16  0.25  23  0.18  molprobity     1  True   
 959   959  mtm      -121.3   140.3  Favored   9   8  0.39  11  0.50  molprobity     1  True   
 960   960  Cg_endo   -78.9   121.0  Favored   7   8  0.43  11  0.35  molprobity     1  True   
 961   961  ?        -146.5   170.2  Favored   3   4  0.57   5  0.41  molprobity     1  True   
 962   962  tp        -97.8   132.2  Favored  11   8  0.39  11  0.25  molprobity     1  True   
 963   963  t-20      -88.6   116.5  Favored   6   8  0.41  11  0.29  molprobity     1  True   
 964   964  mm-40     -66.5   -19.5  Favored   6   9  0.46  12  0.46  molprobity     1  True   
 965   965  mmp_?     -73.5   -64.3  Allowed  13  11  1.27  14  0.82  molprobity     1  True   
 966   966  p         -89.0   -21.4  Favored   7   7  0.43  10  0.61  molprobity     1  True   
 967   967  mpt_?      70.6    19.1  Favored  13  11  1.25  14  0.44  molprobity     1  True   
 968   968  mm100     -86.2   134.6  Favored   8   9  0.36  12  0.27  molprobity     1  True   
 969   969  mtm-85    -95.0   126.5  Favored  13  11  1.19  14  0.50  molprobity     1  True   
 970   970  ?        -151.8  -164.0  Favored   3   4  0.37   5  0.23  molprobity     1  True   
 971   971  OUTLIER  -109.8   153.0  Favored   4   8  0.24  11  0.35  molprobity     1  True   
 972   972  p90      -154.2   138.4  Favored   9  12  0.42  17  0.34  molprobity     1  True   
 973   973  Cg_exo    -70.0   119.0  Favored   7   8  0.42  11  0.34  molprobity     1  True   
 974   974  ?         -53.1   -20.6  Favored   3   4  0.63   5  0.28  molprobity     1  True   
 975   975  t         -60.8   -16.7  Favored   7   7  0.52  10  0.59  molprobity     1  True   
 976   976  m-85      -98.4    -4.0  Favored   9  13  0.40  18  0.27  molprobity     1  True   
 977   977  m        -129.8   160.4  Favored   9   7  0.41  10  0.53  molprobity     1  True   
 978   978  pt-20    -110.1   152.0  Favored   6   9  0.40  12  0.33  molprobity     1  True   
 979   979  t80       -82.6   119.0  Favored   9  12  0.39  16  0.18  molprobity     1  True   
 980   980  mt        -90.5   -61.6  Allowed  11   8  0.39  11  0.25  molprobity     1  True   
 981   981  ?         156.5  -169.2  Favored   3   4  0.48   6  0.63  molprobity     1  True   
 982   982  Cg_endo   -73.7   173.2  Favored   7   8  0.41  11  0.27  molprobity     1  True   
 983   983  mp        -96.1   161.4  Favored  11   8  0.41  11  0.23  molprobity     1  True   
 984   984  mt-10         ?       ?  ?         6   8  0.56   9  0.43  molprobity     ?  False  
 985   985  mtm           ?       ?  ?        11   8  0.58  10  0.26  molprobity     ?  False  
 986   986  ?         -94.8   168.7  Favored   5   5  0.37   7  0.35  molprobity     ?  False  
 987   987  ?        -142.0    89.0  Allowed   3   4  0.65   6  0.74  molprobity     ?  False  
 988   988  Cg_exo    -37.8   105.8  OUTLIER   7   8  0.49  11  0.58  molprobity     ?  False  
 989   989  mp0       -95.5   -33.2  Favored   6   9  0.50  12  0.45  molprobity     ?  False  
 990   990  ?        -107.2   156.2  Favored   3   4  0.56   5  0.42  molprobity     1  True   
 991   991  m-85     -106.8   156.0  Favored   9  12  0.40  16  0.16  molprobity     1  True   
 992   992  mt-30    -103.5   123.3  Favored   8   9  0.42  12  0.44  molprobity     1  True   
 993   993  m-85     -109.8   170.4  Favored   9  13  0.36  18  0.18  molprobity     1  True   
 994   994  ttm180   -150.5   121.2  Favored  13  11  1.19  14  0.57  molprobity     1  True   
 995   995  ?         -80.2   151.5  Favored   5   5  0.38   7  0.34  molprobity     1  True   
 996   996  mt       -100.6   -29.4  Favored  11   8  0.43  11  0.21  molprobity     1  True   
 997   997  m-85     -135.3   145.3  Favored   9  13  0.43  19  0.38  molprobity     1  True   
 998   998  Cg_endo   -74.0   126.1  Favored   7   8  0.38  11  0.36  molprobity     1  True   
 999   999  m-85     -143.0   112.0  Favored   9  12  0.42  16  0.26  molprobity     1  True   
1000  1000  OUTLIER  -116.8   142.2  Favored  13  11  1.29  14  0.82  molprobity     ?  False  
1001  1001  OUTLIER  -134.7   146.9  Favored  13  11  1.22  14  0.58  molprobity     ?  False  
1002  1002  tt0       -77.5   -35.6  Favored   6   9  0.34  12  0.54  molprobity     ?  False  
1003  1003  mmm180    -81.0   142.1  Favored  13  11  1.31  15  0.56  molprobity     ?  False  
1004  1004  Cg_endo   -69.5     5.9  Allowed   7   8  0.45  11  0.35  molprobity     ?  False  
1005  1005  mp0       -78.8    -8.9  Favored   6   9  0.47  12  0.39  molprobity     ?  False  
1006  1006  m-20     -136.6   174.7  Favored   4   8  0.34  11  0.55  molprobity     ?  False  
1007  1007  tp       -129.9   148.2  Favored  11   8  0.43  11  0.17  molprobity     1  True   
1008  1008  mt-10     -71.1   106.8  Favored   6   9  0.37  12  0.36  molprobity     1  True   
1009  1009  mt        -99.8   144.9  Favored  11   8  0.39  11  0.27  molprobity     1  True   
1010  1010  mm?      -123.7   155.7  Favored  11   8  0.62  12  0.42  molprobity     1  True   
1011  1011  Cg_endo   -70.6   107.9  Favored   7   8  0.38  11  0.31  molprobity     1  True   
1012  1012  ?          80.7    41.0  Favored   3   4  0.48   5  0.20  molprobity     1  True   
1013  1013  p-10      -99.7   175.1  Favored   4   8  0.32  11  0.38  molprobity     1  True   
1014  1014  t        -119.9   134.8  Favored   9   7  0.29  10  0.32  molprobity     1  True   
1015  1015  mp       -118.1   122.2  Favored  11   8  0.39  11  0.25  molprobity     1  True   
1016  1016  t         -93.4   111.1  Favored   9   7  0.37  10  0.41  molprobity     1  True   
1017  1017  t        -111.7   119.2  Favored   9   7  0.31  10  0.43  molprobity     1  True   
1018  1018  m         -59.0   127.1  Favored   5   6  0.49   8  0.21  molprobity     1  True   
1019  1019  ttp180    -52.3   -35.9  Favored  13  11  1.19  14  0.27  molprobity     1  True   
1020  1020  ?         -52.7   -43.4  Favored   5   5  0.33   7  0.23  molprobity     1  True   
1021  1021  ?         -59.2   -44.6  Favored   5   5  0.34   7  0.24  molprobity     1  True   
1022  1022  mt        -62.8   -44.9  Favored  11   8  0.39  11  0.21  molprobity     1  True   
1023  1023  mm100     -65.9   -23.9  Favored   8   9  0.38  12  0.22  molprobity     1  True   
1024  1024  ?         -75.5   -41.9  Favored   5   5  0.37   7  0.33  molprobity     1  True   
1025  1025  mt        -68.4   -28.4  Favored  11   8  0.41  11  0.27  molprobity     1  True   
1026  1026  ?         100.6    23.7  Favored   3   4  0.47   5  0.14  molprobity     1  True   
1027  1027  t         -77.3   100.6  Favored   9   7  0.32  10  0.39  molprobity     1  True   
1028  1028  ?         -76.3   149.9  Favored   5   5  0.38   7  0.33  molprobity     1  True   
1029  1029  tt0       -46.2   129.9  Favored   6   9  0.38  12  0.43  molprobity     1  True   
1030  1030  ?         102.8   -50.1  Allowed   3   4  0.44   5  0.29  molprobity     1  True   
1031  1031  ?         -63.7   -22.0  Favored   3   4  0.45   5  0.55  molprobity     1  True   
1032  1032  pt-20     -51.9   -31.2  Favored   6   9  0.40  12  0.44  molprobity     1  True   
1033  1033  mtm180    -85.7     7.0  Favored  13  11  1.24  14  0.52  molprobity     1  True   
1034  1034  t        -146.2    68.6  Favored   5   6  0.52   9  0.51  molprobity     1  True   
1035  1035  Cg_endo   -63.8   -15.2  Favored   7   8  0.41  11  0.28  molprobity     1  True   
1036  1036  pt20      -61.0   -19.5  Favored   8   9  0.32  12  0.27  molprobity     1  True   
1037  1037  t         -81.9   -12.1  Favored   5   6  0.51   8  0.26  molprobity     1  True   
1038  1038  t        -101.4   -59.1  Favored   9   7  0.37  10  0.52  molprobity     1  True   
1039  1039  ?         118.1   -81.9  Allowed   3   4  0.34   5  0.09  molprobity     1  True   
1040  1040  m0       -118.9   117.7  Favored  10  16  0.27  23  0.22  molprobity     1  True   
1041  1041  mpp?     -120.9   138.8  Favored   9   8  0.45  11  0.51  molprobity     1  True   
1042  1042  Cg_endo   -77.4   117.0  Favored   7   8  0.44  11  0.36  molprobity     1  True   
1043  1043  ?        -143.7   171.2  Favored   3   4  0.42   5  0.40  molprobity     1  True   
1044  1044  tp       -103.9   123.2  Favored  11   8  0.39  11  0.18  molprobity     1  True   
1045  1045  t-20      -85.2   128.7  Favored   6   8  0.43  11  0.33  molprobity     1  True   
1046  1046  mm-40     -80.6     0.9  Favored   6   9  0.51  12  0.49  molprobity     1  True   
1047  1047  mmp_?    -100.8   -47.7  Favored  13  11  1.27  14  0.65  molprobity     1  True   
1048  1048  p         -96.9   -25.0  Favored   7   7  0.46  10  0.61  molprobity     1  True   
1049  1049  mmt85      63.4    24.0  Favored  13  11  1.17  14  0.57  molprobity     1  True   
1050  1050  mm-40     -94.3   143.0  Favored   8   9  0.37  12  0.28  molprobity     1  True   
1051  1051  mtt85    -100.0   128.4  Favored  13  11  1.18  14  0.57  molprobity     1  True   
1052  1052  ?        -169.1  -178.2  Favored   3   4  0.39   5  0.21  molprobity     1  True   
1053  1053  m-20      -95.3   109.6  Favored   4   8  0.27  11  0.49  molprobity     1  True   
1054  1054  p90      -100.1   142.4  Favored   9  12  0.45  17  0.38  molprobity     1  True   
1055  1055  Cg_endo   -68.3   111.5  Favored   7   8  0.49  11  0.23  molprobity     1  True   
1056  1056  ?         -64.9    -8.7  Favored   3   4  0.54   5  0.28  molprobity     1  True   
1057  1057  p         -78.6   -13.8  Favored   7   7  0.46  10  0.53  molprobity     1  True   
1058  1058  m-85     -111.3     6.1  Favored   9  13  0.38  18  0.23  molprobity     1  True   
1059  1059  m        -128.1   141.2  Favored   9   7  0.44  10  0.52  molprobity     1  True   
1060  1060  pt-20     -92.2   159.8  Favored   6   9  0.37  12  0.35  molprobity     1  True   
1061  1061  t80      -105.1   124.4  Favored   9  12  0.39  16  0.19  molprobity     1  True   
1062  1062  mt        -90.7   -59.6  Favored  11   8  0.46  11  0.25  molprobity     1  True   
1063  1063  ?         146.9  -172.7  Favored   3   4  0.52   6  0.59  molprobity     1  True   
1064  1064  Cg_endo   -67.3   134.9  Favored   7   8  0.35  11  0.18  molprobity     1  True   
1065  1065  pp        -66.0   161.5  Favored  11   8  0.50  11  0.49  molprobity     1  True   
1066  1066  mp0           ?       ?  ?         6   8  0.74   9  0.46  molprobity     ?  False  
1067  1067  ptt?          ?       ?  ?        11   8  0.68  10  0.31  molprobity     ?  False  
1068  1068  ?         -78.9    88.9  Favored   5   5  0.44   7  0.36  molprobity     ?  False  
1069  1069  ?          93.8  -161.7  Favored   3   4  0.60   6  0.65  molprobity     ?  False  
1070  1070  Cg_endo   -78.3   148.9  Favored   7   8  0.34  11  0.30  molprobity     ?  False  
1071  1071  mt-10     -78.1    14.8  Allowed   6   9  0.39  12  0.41  molprobity     ?  False  
1072  1072  ?         -76.1  -134.6  Allowed   3   4  0.49   5  0.14  molprobity     1  True   
1073  1073  m-85     -139.8   155.3  Favored   9  12  0.42  16  0.18  molprobity     1  True   
1074  1074  mt-30    -112.4   136.6  Favored   8   9  0.39  12  0.33  molprobity     1  True   
1075  1075  m-85     -113.7   173.3  Favored   9  13  0.32  18  0.18  molprobity     1  True   
1076  1076  ttt180   -136.3   121.3  Favored  13  11  1.20  14  0.50  molprobity     1  True   
1077  1077  ?         -70.9   125.5  Favored   5   5  0.37   7  0.29  molprobity     1  True   
1078  1078  mt        -81.2   -45.7  Favored  11   8  0.39  11  0.27  molprobity     1  True   
1079  1079  m-85     -137.3   158.5  Favored   9  13  0.43  19  0.37  molprobity     1  True   
1080  1080  Cg_endo   -66.7   124.7  Favored   7   8  0.35  11  0.36  molprobity     1  True   
1081  1081  t80      -125.9   122.4  Favored   9  12  0.36  16  0.17  molprobity     1  True   
1082  1082  ppt_?    -135.1   156.9  Favored  13  11  1.26  14  0.43  molprobity     ?  False  
1083  1083  mtp180   -131.9   153.4  Favored  13  11  1.31  14  0.70  molprobity     ?  False  
1084  1084  mt-10     -69.0   -39.5  Favored   6   9  0.35  12  0.47  molprobity     ?  False  
1085  1085  mtp180    -85.0   121.6  Favored  13  11  1.26  15  0.69  molprobity     ?  False  
1086  1086  Cg_endo   -69.5     5.9  Allowed   7   8  0.58  11  0.45  molprobity     ?  False  
1087  1087  tt0       -76.8   -22.4  Favored   6   9  0.38  12  0.35  molprobity     ?  False  
1088  1088  OUTLIER   -86.3  -163.5  Allowed   4   8  0.39  11  0.41  molprobity     ?  False  
1089  1089  tp       -135.5   119.6  Favored  11   8  0.42  11  0.25  molprobity     1  True   
1090  1090  mp0       -65.5   117.2  Favored   6   9  0.43  12  0.37  molprobity     1  True   
1091  1091  mt       -103.3   135.0  Favored  11   8  0.36  11  0.20  molprobity     1  True   
1092  1092  mm?      -111.8   146.3  Favored  11   8  0.52  12  0.42  molprobity     1  True   
1093  1093  Cg_endo   -64.0   125.0  Favored   7   8  0.37  11  0.27  molprobity     1  True   
1094  1094  ?          90.2     4.0  Favored   3   4  0.48   5  0.18  molprobity     1  True   
1095  1095  t70       -93.2   149.3  Favored   4   8  0.33  11  0.37  molprobity     1  True   
1096  1096  t         -98.6   132.5  Favored   9   7  0.35  10  0.44  molprobity     1  True   
1097  1097  mp       -103.8   116.6  Favored  11   8  0.43  11  0.26  molprobity     1  True   
1098  1098  t         -93.7   118.0  Favored   9   7  0.37  10  0.41  molprobity     1  True   
1099  1099  t        -115.7   120.5  Favored   9   7  0.34  10  0.39  molprobity     1  True   
1100  1100  m         -67.7   148.4  Favored   5   6  0.48   8  0.26  molprobity     1  True   
1101  1101  tpp180    -55.1   -47.4  Favored  13  11  1.20  14  0.52  molprobity     1  True   
1102  1102  ?         -53.3   -32.4  Favored   5   5  0.40   7  0.24  molprobity     1  True   
1103  1103  ?         -63.4   -49.5  Favored   5   5  0.26   7  0.26  molprobity     1  True   
1104  1104  mt        -65.2   -35.0  Favored  11   8  0.40  11  0.18  molprobity     1  True   
1105  1105  mm100     -60.6   -44.0  Favored   8   9  0.36  12  0.32  molprobity     1  True   
1106  1106  ?         -64.3   -40.6  Favored   5   5  0.35   7  0.26  molprobity     1  True   
1107  1107  mt        -63.0   -18.3  Favored  11   8  0.45  11  0.29  molprobity     1  True   
1108  1108  ?          79.3    38.7  Favored   3   4  0.39   5  0.19  molprobity     1  True   
1109  1109  t        -104.5   122.8  Favored   9   7  0.37  10  0.45  molprobity     1  True   
1110  1110  ?         -83.6   138.8  Favored   5   5  0.33   7  0.18  molprobity     1  True   
1111  1111  tt0       -53.2   117.6  Favored   6   9  0.38  12  0.32  molprobity     1  True   
1112  1112  ?         130.3   -13.6  Favored   3   4  0.51   5  0.24  molprobity     1  True   
1113  1113  ?         -99.2   -38.6  Favored   3   4  0.45   5  0.30  molprobity     1  True   
1114  1114  OUTLIER   -58.1   -23.8  Favored   6   9  0.50  12  0.40  molprobity     1  True   
1115  1115  mtp180    -55.0   -22.0  Favored  13  11  1.30  14  0.54  molprobity     1  True   
1116  1116  p        -115.8    81.5  Favored   5   6  0.48   9  0.57  molprobity     1  True   
1117  1117  Cg_exo    -54.9   -42.2  Favored   7   8  0.31  11  0.30  molprobity     1  True   
1118  1118  tt0       -61.0   -31.5  Favored   8   9  0.38  12  0.25  molprobity     1  True   
1119  1119  t         -73.8   -38.4  Favored   5   6  0.45   8  0.26  molprobity     1  True   
1120  1120  t         -67.2   -40.9  Favored   9   7  0.36  10  0.41  molprobity     1  True   
1121  1121  ?          93.7   -76.2  Allowed   3   4  0.39   5  0.16  molprobity     1  True   
1122  1122  p-90     -119.0   132.4  Favored  10  16  0.26  23  0.18  molprobity     1  True   
1123  1123  mtm      -144.9   132.0  Favored   9   8  0.42  11  0.51  molprobity     1  True   
1124  1124  Cg_endo   -80.5   127.7  Favored   7   8  0.37  11  0.37  molprobity     1  True   
1125  1125  ?        -156.8   176.7  Favored   3   4  0.43   5  0.30  molprobity     1  True   
1126  1126  tp       -108.7   131.3  Favored  11   8  0.41  11  0.22  molprobity     1  True   
1127  1127  t-20      -96.7   149.2  Favored   6   8  0.45  11  0.30  molprobity     1  True   
1128  1128  mt-10     -92.0   -33.9  Favored   6   9  0.45  12  0.42  molprobity     1  True   
1129  1129  OUTLIER   -67.0   -64.7  Allowed  13  11  1.24  14  0.50  molprobity     1  True   
1130  1130  p         -75.2   -21.5  Favored   7   7  0.43  10  0.61  molprobity     1  True   
1131  1131  mtp180     58.3    20.5  Favored  13  11  1.18  14  0.21  molprobity     1  True   
1132  1132  mm-40     -98.3   163.9  Favored   8   9  0.34  12  0.35  molprobity     1  True   
1133  1133  mtp180   -107.9   129.7  Favored  13  11  1.24  14  0.73  molprobity     1  True   
1134  1134  ?        -167.0  -172.4  Favored   3   4  0.37   5  0.44  molprobity     1  True   
1135  1135  t70      -115.6   109.4  Favored   4   8  0.26  11  0.35  molprobity     1  True   
1136  1136  p90      -103.5   149.1  Favored   9  12  0.51  17  0.43  molprobity     1  True   
1137  1137  Cg_endo   -76.1   113.5  Favored   7   8  0.45  11  0.22  molprobity     1  True   
1138  1138  ?         -57.0   -16.1  Favored   3   4  0.61   5  0.32  molprobity     1  True   
1139  1139  t         -59.2   -33.4  Favored   7   7  0.54  10  0.52  molprobity     1  True   
1140  1140  m-85      -89.5     5.0  Favored   9  13  0.38  18  0.31  molprobity     1  True   
1141  1141  m        -127.5   148.2  Favored   9   7  0.39  10  0.49  molprobity     1  True   
1142  1142  pt-20    -102.8   146.4  Favored   6   9  0.47  12  0.39  molprobity     1  True   
1143  1143  t80       -78.3   128.6  Favored   9  12  0.41  16  0.20  molprobity     1  True   
1144  1144  mt        -94.7   -67.5  Allowed  11   8  0.37  11  0.25  molprobity     1  True   
1145  1145  ?         165.7  -174.1  Favored   3   4  0.56   6  0.63  molprobity     1  True   
1146  1146  Cg_endo   -78.0  -176.8  Favored   7   8  0.38  11  0.21  molprobity     1  True   
1147  1147  mp       -116.1   150.3  Favored  11   8  0.52  11  0.20  molprobity     1  True   
1148  1148  OUTLIER       ?       ?  ?         6   8  0.64   9  0.47  molprobity     ?  False  
1149  1149  mmm           ?       ?  ?        11   8  0.61  10  0.33  molprobity     ?  False  
1150  1150  ?         -78.9   -27.7  Favored   5   5  0.35   7  0.26  molprobity     ?  False  
1151  1151  ?         107.6  -168.6  Favored   3   4  0.48   6  0.58  molprobity     ?  False  
1152  1152  Cg_endo   -73.9    85.1  Allowed   7   8  0.29  11  0.22  molprobity     ?  False  
1153  1153  mt-10     -60.8   -41.2  Favored   6   9  0.32  12  0.40  molprobity     ?  False  
1154  1154  ?        -143.2   167.1  Favored   3   4  0.30   5  0.18  molprobity     1  True   
1155  1155  m-85     -119.9   160.9  Favored   9  12  0.35  16  0.27  molprobity     1  True   
1156  1156  mt-30    -107.7   126.9  Favored   8   9  0.36  12  0.26  molprobity     1  True   
1157  1157  m-85     -110.3   130.2  Favored   9  13  0.35  18  0.19  molprobity     1  True   
1158  1158  ttt180    -97.6   123.3  Favored  13  11  1.24  14  0.56  molprobity     1  True   
1159  1159  ?         -78.5   131.8  Favored   5   5  0.28   7  0.27  molprobity     1  True   
1160  1160  mt        -76.3   -60.4  Favored  11   8  0.44  11  0.25  molprobity     1  True   
1161  1161  m-85     -132.6   165.1  Favored   9  13  0.44  19  0.35  molprobity     1  True   
1162  1162  Cg_endo   -68.4   118.9  Favored   7   8  0.41  11  0.33  molprobity     1  True   
1163  1163  m-85     -120.3   152.7  Favored   9  12  0.39  16  0.20  molprobity     1  True   
1164  1164  ptt180   -135.2   140.1  Favored  13  11  1.26  14  0.72  molprobity     ?  False  
1165  1165  tpp180   -113.1   153.5  Favored  13  11  1.21  14  0.87  molprobity     ?  False  
1166  1166  pt-20     -64.8   -37.8  Favored   6   9  0.42  12  0.34  molprobity     ?  False  
1167  1167  mtp180   -110.4   126.9  Favored  13  11  1.24  15  0.70  molprobity     ?  False  
1168  1168  Cg_exo    -68.3    -1.6  Favored   7   8  0.49  11  0.34  molprobity     ?  False  
1169  1169  tt0       -72.5   -21.8  Favored   6   9  0.46  12  0.40  molprobity     ?  False  
1170  1170  t70       -78.8  -143.6  OUTLIER   4   8  0.31  11  0.62  molprobity     ?  False  
1171  1171  tp       -156.2   119.9  Favored  11   8  0.38  11  0.29  molprobity     1  True   
1172  1172  mp0       -65.2   151.9  Favored   6   9  0.39  12  0.44  molprobity     1  True   
1173  1173  mt       -118.3   134.5  Favored  11   8  0.36  11  0.17  molprobity     1  True   
1174  1174  mm?      -114.9   155.0  Favored  11   8  0.60  12  0.41  molprobity     1  True   
1175  1175  Cg_endo   -63.2   117.1  Favored   7   8  0.43  11  0.28  molprobity     1  True   
1176  1176  ?          73.6    20.7  Favored   3   4  0.46   5  0.21  molprobity     1  True   
1177  1177  t0        -82.8   156.2  Favored   4   8  0.29  11  0.34  molprobity     1  True   
1178  1178  t        -117.4   118.9  Favored   9   7  0.33  10  0.50  molprobity     1  True   
1179  1179  mp       -107.1   133.6  Favored  11   8  0.40  11  0.24  molprobity     1  True   
1180  1180  t         -93.7   115.7  Favored   9   7  0.44  10  0.45  molprobity     1  True   
1181  1181  t        -127.4   118.9  Favored   9   7  0.41  10  0.43  molprobity     1  True   
1182  1182  p         -76.1   155.6  Favored   5   6  0.46   8  0.34  molprobity     1  True   
1183  1183  mtp180    -62.0   -26.5  Favored  13  11  1.22  14  0.61  molprobity     1  True   
1184  1184  ?         -63.8   -47.5  Favored   5   5  0.28   7  0.28  molprobity     1  True   
1185  1185  ?         -58.6   -41.6  Favored   5   5  0.37   7  0.28  molprobity     1  True   
1186  1186  mt        -59.0   -49.2  Favored  11   8  0.41  11  0.18  molprobity     1  True   
1187  1187  mm-40     -61.8   -34.6  Favored   8   9  0.40  12  0.27  molprobity     1  True   
1188  1188  ?         -65.4   -22.1  Favored   5   5  0.36   7  0.23  molprobity     1  True   
1189  1189  mt        -85.6    -5.7  Favored  11   8  0.36  11  0.35  molprobity     1  True   
1190  1190  ?          67.8    43.9  Favored   3   4  0.39   5  0.29  molprobity     1  True   
1191  1191  t         -76.4   143.7  Favored   9   7  0.38  10  0.39  molprobity     1  True   
1192  1192  ?         -67.4   150.9  Favored   5   5  0.32   7  0.32  molprobity     1  True   
1193  1193  tp10      -52.9   101.5  OUTLIER   6   9  0.50  12  0.44  molprobity     1  True   
1194  1194  ?          99.3    -9.5  Favored   3   4  0.63   5  0.25  molprobity     1  True   
1195  1195  ?         -73.7     1.2  Favored   3   4  0.65   5  0.26  molprobity     1  True   
1196  1196  pt-20     -60.2   -18.2  Favored   6   9  0.48  12  0.48  molprobity     1  True   
1197  1197  ptt180    -84.9     8.5  Favored  13  11  1.24  14  0.73  molprobity     1  True   
1198  1198  m        -133.7    76.9  Favored   5   6  0.50   9  0.55  molprobity     1  True   
1199  1199  Cg_endo   -64.2   -32.9  Favored   7   8  0.39  11  0.22  molprobity     1  True   
1200  1200  tt0       -61.4   -37.7  Favored   8   9  0.37  12  0.28  molprobity     1  True   
1201  1201  t         -61.8   -40.0  Favored   5   6  0.45   8  0.21  molprobity     1  True   
1202  1202  t         -75.8   -39.8  Favored   9   7  0.39  10  0.44  molprobity     1  True   
1203  1203  ?          86.2   -71.3  Favored   3   4  0.49   5  0.17  molprobity     1  True   
1204  1204  p-90      -98.6   129.1  Favored  10  16  0.26  23  0.13  molprobity     1  True   
1205  1205  mtp      -143.7   120.8  Favored   9   8  0.38  11  0.50  molprobity     1  True   
1206  1206  Cg_endo   -81.8   138.4  Favored   7   8  0.28  11  0.31  molprobity     1  True   
1207  1207  ?        -165.2   176.8  Favored   3   4  0.33   5  0.17  molprobity     1  True   
1208  1208  tp       -100.8   118.9  Favored  11   8  0.40  11  0.20  molprobity     1  True   
1209  1209  t-20      -87.8   100.3  Favored   6   8  0.37  11  0.24  molprobity     1  True   
1210  1210  mt-10     -66.9   -20.5  Favored   6   9  0.36  12  0.32  molprobity     1  True   
1211  1211  tpt180    -58.8   -49.5  Favored  13  11  1.21  14  0.66  molprobity     1  True   
1212  1212  p        -110.5    -1.9  Favored   7   7  0.46  10  0.56  molprobity     1  True   
1213  1213  mpt_?      63.5    20.5  Favored  13  11  1.23  14  0.60  molprobity     1  True   
1214  1214  mm100    -102.4   157.9  Favored   8   9  0.37  12  0.33  molprobity     1  True   
1215  1215  mtm180   -103.8   151.2  Favored  13  11  1.26  14  0.52  molprobity     1  True   
1216  1216  ?         175.7  -178.8  Favored   3   4  0.33   5  0.40  molprobity     1  True   
1217  1217  t70      -109.7   108.6  Favored   4   8  0.22  11  0.29  molprobity     1  True   
1218  1218  p90      -100.9   149.0  Favored   9  12  0.47  17  0.41  molprobity     1  True   
1219  1219  Cg_endo   -70.5   101.1  Allowed   7   8  0.42  11  0.24  molprobity     1  True   
1220  1220  ?         -58.2   -17.4  Favored   3   4  0.59   5  0.24  molprobity     1  True   
1221  1221  t         -65.1   -14.2  Favored   7   7  0.51  10  0.57  molprobity     1  True   
1222  1222  m-85     -107.5     8.5  Favored   9  13  0.37  18  0.31  molprobity     1  True   
1223  1223  m        -125.2   155.9  Favored   9   7  0.39  10  0.46  molprobity     1  True   
1224  1224  pt-20    -112.9   148.6  Favored   6   9  0.39  12  0.40  molprobity     1  True   
1225  1225  t80       -78.2   119.2  Favored   9  12  0.39  16  0.26  molprobity     1  True   
1226  1226  mt        -90.2   -59.5  Favored  11   8  0.39  11  0.26  molprobity     1  True   
1227  1227  ?         154.2  -160.6  Favored   3   4  0.48   6  0.67  molprobity     1  True   
1228  1228  Cg_endo   -67.0   147.4  Favored   7   8  0.36  11  0.22  molprobity     1  True   
1229  1229  pp        -92.7   150.6  Favored  11   8  0.44  11  0.51  molprobity     1  True   
1230  1230  tt0           ?       ?  ?         6   8  0.59   9  0.41  molprobity     ?  False  
1231  1231  OUTLIER       ?       ?  ?        11   8  0.67  10  0.37  molprobity     ?  False  
1232  1232  ?         -71.8    96.0  Allowed   5   5  0.37   7  0.30  molprobity     ?  False  
1233  1233  ?         157.5   -67.1  Allowed   3   4  0.45   6  0.65  molprobity     ?  False  
1234  1234  Cg_endo   -81.9   101.5  Allowed   7   8  0.38  11  0.20  molprobity     ?  False  
1235  1235  mm-40     -57.4   -30.1  Favored   6   9  0.44  12  0.51  molprobity     ?  False  
1236  1236  ?          80.0   163.5  Favored   3   4  0.36   5  0.23  molprobity     1  True   
1237  1237  m-85     -136.8   156.9  Favored   9  12  0.38  16  0.33  molprobity     1  True   
1238  1238  mt-30    -121.9   133.4  Favored   8   9  0.36  12  0.28  molprobity     1  True   
1239  1239  m-85     -122.9   137.5  Favored   9  13  0.35  18  0.20  molprobity     1  True   
1240  1240  ttm180    -98.7   122.6  Favored  13  11  1.17  14  0.53  molprobity     1  True   
1241  1241  ?         -71.0   120.5  Favored   5   5  0.32   7  0.21  molprobity     1  True   
1242  1242  mt        -90.7   -46.8  Favored  11   8  0.36  11  0.18  molprobity     1  True   
1243  1243  m-85     -110.2   138.0  Favored   9  13  0.41  19  0.43  molprobity     1  True   
1244  1244  Cg_endo   -78.9   146.1  Favored   7   8  0.35  11  0.33  molprobity     1  True   
1245  1245  m-85     -143.1   129.0  Favored   9  12  0.37  16  0.19  molprobity     1  True   
1246  1246  ptt180   -136.1   114.8  Favored  13  11  1.21  14  0.53  molprobity     ?  False  
1247  1247  mmt180   -116.7   148.8  Favored  13  11  1.18  14  0.60  molprobity     ?  False  
1248  1248  tp10      -86.2    26.9  Allowed   6   9  0.49  12  0.62  molprobity     ?  False  
1249  1249  mmt180   -133.8   129.0  Favored  13  11  1.17  15  0.54  molprobity     ?  False  
1250  1250  Cg_endo   -70.6    -4.7  Favored   7   8  0.47  11  0.36  molprobity     ?  False  
1251  1251  mp0       -75.8   -38.9  Favored   6   9  0.41  12  0.43  molprobity     ?  False  
1252  1252  t70       -79.8  -175.6  Favored   4   8  0.42  11  0.48  molprobity     ?  False  
1253  1253  tp       -132.3   136.1  Favored  11   8  0.39  11  0.27  molprobity     1  True   
1254  1254  mt-10     -71.4   117.8  Favored   6   9  0.42  12  0.32  molprobity     1  True   
1255  1255  mt       -135.7   136.4  Favored  11   8  0.41  11  0.50  molprobity     1  True   
1256  1256  mm?      -115.3   157.2  Favored  11   8  0.58  12  0.43  molprobity     1  True   
1257  1257  Cg_exo    -64.9   109.0  Allowed   7   8  0.45  11  0.32  molprobity     1  True   
1258  1258  ?         108.2    15.3  Favored   3   4  0.65   5  0.18  molprobity     1  True   
1259  1259  m-20      -79.4   151.3  Favored   4   8  0.27  11  0.39  molprobity     1  True   
1260  1260  t        -102.4   120.2  Favored   9   7  0.34  10  0.42  molprobity     1  True   
1261  1261  mp       -103.4   124.1  Favored  11   8  0.40  11  0.31  molprobity     1  True   
1262  1262  t         -94.0   116.8  Favored   9   7  0.35  10  0.38  molprobity     1  True   
1263  1263  t        -118.4   135.9  Favored   9   7  0.40  10  0.43  molprobity     1  True   
1264  1264  p         -86.8   133.8  Favored   5   6  0.48   8  0.26  molprobity     1  True   
1265  1265  ttt180    -65.7   -25.4  Favored  13  11  1.22  14  0.83  molprobity     1  True   
1266  1266  ?         -59.2   -40.8  Favored   5   5  0.29   7  0.26  molprobity     1  True   
1267  1267  ?         -62.7   -47.2  Favored   5   5  0.23   7  0.25  molprobity     1  True   
1268  1268  mt        -58.5   -43.9  Favored  11   8  0.36  11  0.18  molprobity     1  True   
1269  1269  mt-30     -62.4   -38.3  Favored   8   9  0.33  12  0.24  molprobity     1  True   
1270  1270  ?         -65.8   -27.8  Favored   5   5  0.40   7  0.27  molprobity     1  True   
1271  1271  mt        -81.5    -4.7  Favored  11   8  0.46  11  0.28  molprobity     1  True   
1272  1272  ?          82.0    13.4  Favored   3   4  0.51   5  0.11  molprobity     1  True   
1273  1273  t         -74.1   109.1  Favored   9   7  0.36  10  0.43  molprobity     1  True   
1274  1274  ?         -72.8   148.3  Favored   5   5  0.35   7  0.31  molprobity     1  True   
1275  1275  tt0       -53.7   119.0  Favored   6   9  0.35  12  0.42  molprobity     1  True   
1276  1276  ?         116.2   -14.2  Favored   3   4  0.47   5  0.27  molprobity     1  True   
1277  1277  ?         -96.5   -26.8  Favored   3   4  0.52   5  0.16  molprobity     1  True   
1278  1278  OUTLIER   -63.4   -27.1  Favored   6   9  0.50  12  0.37  molprobity     1  True   
1279  1279  ptt180    -67.4   -15.5  Favored  13  11  1.24  14  0.55  molprobity     1  True   
1280  1280  m        -132.8    69.4  Favored   5   6  0.51   9  0.55  molprobity     1  True   
1281  1281  Cg_endo   -60.6   -21.6  Favored   7   8  0.45  11  0.27  molprobity     1  True   
1282  1282  pt20      -55.8   -25.1  Favored   8   9  0.40  12  0.29  molprobity     1  True   
1283  1283  t         -77.7   -17.0  Favored   5   6  0.51   8  0.26  molprobity     1  True   
1284  1284  t         -96.2   -20.4  Favored   9   7  0.45  10  0.48  molprobity     1  True   
1285  1285  ?          99.7  -110.3  Favored   3   4  0.41   5  0.16  molprobity     1  True   
1286  1286  OUTLIER  -121.4   143.8  Favored  10  16  0.33  23  0.44  molprobity     1  True   
1287  1287  mtm      -134.4   149.4  Favored   9   8  0.50  11  0.54  molprobity     1  True   
1288  1288  Cg_endo   -69.4   123.2  Favored   7   8  0.45  11  0.34  molprobity     1  True   
1289  1289  ?        -146.8   163.5  Favored   3   4  0.51   5  0.32  molprobity     1  True   
1290  1290  tp       -107.2   124.7  Favored  11   8  0.39  11  0.25  molprobity     1  True   
1291  1291  t-20      -87.5   122.9  Favored   6   8  0.50  11  0.25  molprobity     1  True   
1292  1292  mm-40     -72.1   -15.0  Favored   6   9  0.51  12  0.47  molprobity     1  True   
1293  1293  mtp180    -86.9   -68.0  Allowed  13  11  1.15  14  0.47  molprobity     1  True   
1294  1294  p         -71.6   -22.9  Favored   7   7  0.45  10  0.61  molprobity     1  True   
1295  1295  mmm-85     66.0     8.7  Favored  13  11  1.19  14  0.39  molprobity     1  True   
1296  1296  mm100     -78.5   149.5  Favored   8   9  0.32  12  0.21  molprobity     1  True   
1297  1297  OUTLIER  -113.1   134.6  Favored  13  11  1.18  14  0.50  molprobity     1  True   
1298  1298  ?        -173.3   176.2  Favored   3   4  0.28   5  0.11  molprobity     1  True   
1299  1299  m-20      -88.6   107.9  Favored   4   8  0.21  11  0.42  molprobity     1  True   
1300  1300  p90       -97.5   140.2  Favored   9  12  0.45  17  0.37  molprobity     1  True   
1301  1301  Cg_exo    -62.1   116.7  Favored   7   8  0.39  11  0.44  molprobity     1  True   
1302  1302  ?         -71.6    26.5  Allowed   3   4  0.75   5  0.33  molprobity     1  True   
1303  1303  t        -104.0   -32.1  Favored   7   7  0.47  10  0.54  molprobity     1  True   
1304  1304  p90       -88.6     4.8  Favored   9  13  0.45  18  0.31  molprobity     1  True   
1305  1305  m        -112.9   146.8  Favored   9   7  0.35  10  0.62  molprobity     1  True   
1306  1306  pt-20    -103.0   138.7  Favored   6   9  0.40  12  0.35  molprobity     1  True   
1307  1307  t80       -75.4   115.3  Favored   9  12  0.43  16  0.19  molprobity     1  True   
1308  1308  mt        -85.3   -56.0  Favored  11   8  0.37  11  0.25  molprobity     1  True   
1309  1309  ?         152.0  -156.0  Favored   3   4  0.44   6  0.64  molprobity     1  True   
1310  1310  Cg_endo   -83.7   178.6  Favored   7   8  0.38  11  0.28  molprobity     1  True   
1311  1311  mt        -75.9   144.3  Favored  11   8  0.41  11  0.22  molprobity     1  True   
1312  1312  OUTLIER       ?       ?  ?         6   8  0.67   9  0.57  molprobity     ?  False  
1313  1313  mtt           ?       ?  ?        11   8  0.60  10  0.31  molprobity     ?  False  
1314  1314  ?         -98.2   -80.6  Allowed   5   5  0.42   7  0.39  molprobity     ?  False  
1315  1315  ?         135.9   130.9  Favored   3   4  0.62   6  0.60  molprobity     ?  False  
1316  1316  Cg_endo   -70.7   102.6  Allowed   7   8  0.30  11  0.24  molprobity     ?  False  
1317  1317  mt-10     -61.4   -24.4  Favored   6   9  0.35  12  0.39  molprobity     ?  False  
1318  1318  ?        -169.6  -155.6  Favored   3   4  0.32   5  0.18  molprobity     1  True   
1319  1319  m-85     -125.0   156.0  Favored   9  12  0.38  16  0.26  molprobity     1  True   
1320  1320  mt-30     -95.0   123.4  Favored   8   9  0.36  12  0.29  molprobity     1  True   
1321  1321  m-85     -113.8   126.0  Favored   9  13  0.35  18  0.20  molprobity     1  True   
1322  1322  ttt180    -97.8   120.5  Favored  13  11  1.30  14  0.64  molprobity     1  True   
1323  1323  ?         -68.4   120.0  Favored   5   5  0.36   7  0.31  molprobity     1  True   
1324  1324  mt        -72.9   -59.9  Favored  11   8  0.39  11  0.28  molprobity     1  True   
1325  1325  m-85     -127.1   156.8  Favored   9  13  0.41  19  0.35  molprobity     1  True   
1326  1326  Cg_endo   -64.6   119.2  Favored   7   8  0.34  11  0.35  molprobity     1  True   
1327  1327  t80      -121.8   111.8  Favored   9  12  0.38  16  0.18  molprobity     1  True   
1328  1328  ptt180    -89.2   125.8  Favored  13  11  1.21  14  0.61  molprobity     ?  False  
1329  1329  tpt180    -70.7   153.8  Favored  13  11  1.21  14  0.31  molprobity     ?  False  
1330  1330  mm-40     -45.1   -49.7  Favored   6   9  0.43  12  0.45  molprobity     ?  False  
1331  1331  mtm180   -131.0   147.3  Favored  13  11  1.22  15  0.60  molprobity     ?  False  
1332  1332  Cg_exo    -58.4    -5.5  Favored   7   8  0.49  11  0.38  molprobity     ?  False  
1333  1333  tt0       -53.3   -41.7  Favored   6   9  0.39  12  0.41  molprobity     ?  False  
1334  1334  m-20      -91.2  -162.2  Allowed   4   8  0.32  11  0.29  molprobity     ?  False  
1335  1335  tp        -99.9   134.8  Favored  11   8  0.40  11  0.25  molprobity     1  True   
1336  1336  mt-10    -108.8   140.6  Favored   6   9  0.34  12  0.37  molprobity     1  True   
1337  1337  mt       -100.8   131.4  Favored  11   8  0.42  11  0.33  molprobity     1  True   
1338  1338  mm?      -115.2   149.0  Favored  11   8  0.58  12  0.42  molprobity     1  True   
1339  1339  Cg_endo   -66.4   105.5  Allowed   7   8  0.39  11  0.29  molprobity     1  True   
1340  1340  ?         115.4    -4.6  Favored   3   4  0.49   5  0.17  molprobity     1  True   
1341  1341  OUTLIER   -68.4   130.9  Favored   4   8  0.32  11  0.32  molprobity     1  True   
1342  1342  t         -96.9   105.2  Favored   9   7  0.29  10  0.41  molprobity     1  True   
1343  1343  mp        -89.9   130.8  Favored  11   8  0.35  11  0.27  molprobity     1  True   
1344  1344  t         -94.3   106.2  Favored   9   7  0.38  10  0.41  molprobity     1  True   
1345  1345  t        -105.4   118.5  Favored   9   7  0.35  10  0.37  molprobity     1  True   
1346  1346  p         -69.4   140.9  Favored   5   6  0.43   8  0.31  molprobity     1  True   
1347  1347  ttp85     -60.3   -28.1  Favored  13  11  1.15  14  0.39  molprobity     1  True   
1348  1348  ?         -62.4   -44.5  Favored   5   5  0.34   7  0.20  molprobity     1  True   
1349  1349  ?         -59.4   -45.5  Favored   5   5  0.31   7  0.25  molprobity     1  True   
1350  1350  mt        -54.2   -43.4  Favored  11   8  0.40  11  0.20  molprobity     1  True   
1351  1351  mm-40     -59.7   -42.5  Favored   8   9  0.41  12  0.22  molprobity     1  True   
1352  1352  ?         -62.2   -39.3  Favored   5   5  0.41   7  0.31  molprobity     1  True   
1353  1353  mt        -66.5   -25.9  Favored  11   8  0.38  11  0.33  molprobity     1  True   
1354  1354  ?          96.0    23.2  Favored   3   4  0.44   5  0.24  molprobity     1  True   
1355  1355  t         -84.2   107.3  Favored   9   7  0.29  10  0.40  molprobity     1  True   
1356  1356  ?         -70.6   149.8  Favored   5   5  0.33   7  0.35  molprobity     1  True   
1357  1357  mt-10     -62.8   113.9  Favored   6   9  0.36  12  0.33  molprobity     1  True   
1358  1358  ?         119.5   -10.6  Favored   3   4  0.56   5  0.26  molprobity     1  True   
1359  1359  ?        -114.5     5.5  Favored   3   4  0.60   5  0.25  molprobity     1  True   
1360  1360  OUTLIER   -67.2   -23.8  Favored   6   9  0.48  12  0.37  molprobity     1  True   
1361  1361  mtm105    -78.0    -2.7  Favored  13  11  1.17  14  0.53  molprobity     1  True   
1362  1362  t        -118.2    86.3  Favored   5   6  0.41   9  0.47  molprobity     1  True   
1363  1363  Cg_endo   -66.6   -21.8  Favored   7   8  0.34  11  0.26  molprobity     1  True   
1364  1364  mt-30     -61.4   -48.8  Favored   8   9  0.33  12  0.27  molprobity     1  True   
1365  1365  t         -63.9   -28.1  Favored   5   6  0.46   8  0.31  molprobity     1  True   
1366  1366  t         -69.9   -38.0  Favored   9   7  0.41  10  0.51  molprobity     1  True   
1367  1367  ?          81.0   -79.5  Allowed   3   4  0.48   5  0.15  molprobity     1  True   
1368  1368  m0       -120.9   124.0  Favored  10  16  0.27  23  0.19  molprobity     1  True   
1369  1369  ptp      -136.2   148.0  Favored   9   8  0.42  11  0.50  molprobity     1  True   
1370  1370  Cg_endo   -88.0   140.7  Favored   7   8  0.39  11  0.40  molprobity     1  True   
1371  1371  ?        -147.3  -172.7  Favored   3   4  0.45   5  0.41  molprobity     1  True   
1372  1372  tp       -132.8   108.7  Favored  11   8  0.41  11  0.19  molprobity     1  True   
1373  1373  m120      -79.3   129.5  Favored   6   8  0.46  11  0.20  molprobity     1  True   
1374  1374  mt-10     -67.1   -23.3  Favored   6   9  0.43  12  0.35  molprobity     1  True   
1375  1375  mtt180    -75.4   -53.5  Favored  13  11  1.14  14  0.43  molprobity     1  True   
1376  1376  p         -68.4   -26.6  Favored   7   7  0.39  10  0.63  molprobity     1  True   
1377  1377  mmm180     64.8    10.6  Favored  13  11  1.24  14  0.42  molprobity     1  True   
1378  1378  mm-40    -127.4   160.7  Favored   8   9  0.35  12  0.39  molprobity     1  True   
1379  1379  mtp180    -91.3   176.8  Favored  13  11  1.20  14  0.68  molprobity     1  True   
1380  1380  ?         159.5   168.4  Favored   3   4  0.38   5  0.21  molprobity     1  True   
1381  1381  m-20      -97.3   127.5  Favored   4   8  0.28  11  0.38  molprobity     1  True   
1382  1382  p90      -133.4   156.2  Favored   9  12  0.49  17  0.35  molprobity     1  True   
1383  1383  Cg_endo   -74.3   120.9  Favored   7   8  0.38  11  0.26  molprobity     1  True   
1384  1384  ?         -69.7     1.5  Favored   3   4  0.59   5  0.21  molprobity     1  True   
1385  1385  p         -74.7   -17.4  Favored   7   7  0.38  10  0.55  molprobity     1  True   
1386  1386  m-85     -108.3    17.5  Favored   9  13  0.34  18  0.31  molprobity     1  True   
1387  1387  m        -131.7   148.6  Favored   9   7  0.39  10  0.50  molprobity     1  True   
1388  1388  pt-20    -108.7   151.1  Favored   6   9  0.42  12  0.34  molprobity     1  True   
1389  1389  t80       -82.1   115.3  Favored   9  12  0.39  16  0.17  molprobity     1  True   
1390  1390  mt        -83.2   -59.7  Favored  11   8  0.38  11  0.27  molprobity     1  True   
1391  1391  ?         160.1  -176.6  Favored   3   4  0.51   6  0.63  molprobity     1  True   
1392  1392  Cg_endo   -81.8   157.0  Favored   7   8  0.36  11  0.26  molprobity     1  True   
1393  1393  mp        -93.8   160.8  Favored  11   8  0.49  11  0.19  molprobity     1  True   
1394  1394  pm0           ?       ?  ?         6   8  0.73   9  0.54  molprobity     ?  False  
1395  1395  mtp           ?       ?  ?        11   8  0.60  10  0.33  molprobity     ?  False  
1396  1396  ?        -119.0  -161.8  Allowed   5   5  0.37   7  0.47  molprobity     ?  False  
1397  1397  ?         142.9   158.4  Favored   3   4  0.52   6  0.52  molprobity     ?  False  
1398  1398  Cg_exo    -68.2    87.0  Allowed   7   8  0.36  11  0.34  molprobity     ?  False  
1399  1399  mt-10     -67.7   -17.0  Favored   6   9  0.43  12  0.40  molprobity     ?  False  
1400  1400  ?         175.7  -140.9  Favored   3   4  0.32   5  0.19  molprobity     1  True   
1401  1401  m-85     -130.5   144.0  Favored   9  12  0.39  16  0.26  molprobity     1  True   
1402  1402  mm-40     -92.7   131.0  Favored   8   9  0.39  12  0.44  molprobity     1  True   
1403  1403  m-85     -123.8   153.8  Favored   9  13  0.35  18  0.19  molprobity     1  True   
1404  1404  ttm180   -127.4   119.8  Favored  13  11  1.21  14  0.52  molprobity     1  True   
1405  1405  ?         -71.5   124.1  Favored   5   5  0.35   7  0.16  molprobity     1  True   
1406  1406  mt        -94.5   -21.2  Favored  11   8  0.43  11  0.23  molprobity     1  True   
1407  1407  m-85     -133.0   147.6  Favored   9  13  0.47  19  0.43  molprobity     1  True   
1408  1408  Cg_endo   -71.1   119.6  Favored   7   8  0.34  11  0.19  molprobity     1  True   
1409  1409  t80      -136.7   120.0  Favored   9  12  0.38  16  0.25  molprobity     1  True   
1410  1410  ttm180   -123.6   151.6  Favored  13  11  1.21  14  0.58  molprobity     ?  False  
1411  1411  mmm180   -134.2   142.2  Favored  13  11  1.19  14  0.27  molprobity     ?  False  
1412  1412  tp10      -71.3   -15.5  Favored   6   9  0.38  12  0.38  molprobity     ?  False  
1413  1413  mpt_?    -110.8   157.3  Favored  13  11  1.27  15  0.74  molprobity     ?  False  
1414  1414  Cg_endo   -70.9     6.1  Allowed   7   8  0.52  11  0.27  molprobity     ?  False  
1415  1415  mt-10     -55.0   -52.7  Favored   6   9  0.36  12  0.52  molprobity     ?  False  
1416  1416  m-20     -102.1  -173.7  Favored   4   8  0.33  11  0.43  molprobity     ?  False  
1417  1417  tp       -132.6   144.6  Favored  11   8  0.39  11  0.24  molprobity     1  True   
1418  1418  mt-10     -64.0   113.3  Favored   6   9  0.38  12  0.46  molprobity     1  True   
1419  1419  mt       -103.3   138.7  Favored  11   8  0.35  11  0.20  molprobity     1  True   
1420  1420  mm?      -122.7   150.7  Favored  11   8  0.63  12  0.43  molprobity     1  True   
1421  1421  Cg_endo   -60.9   117.8  Favored   7   8  0.42  11  0.30  molprobity     1  True   
1422  1422  ?          76.1    29.7  Favored   3   4  0.42   5  0.10  molprobity     1  True   
1423  1423  t70       -96.9   158.7  Favored   4   8  0.31  11  0.42  molprobity     1  True   
1424  1424  t        -102.0   132.6  Favored   9   7  0.38  10  0.50  molprobity     1  True   
1425  1425  mp       -121.9   111.4  Favored  11   8  0.43  11  0.27  molprobity     1  True   
1426  1426  t         -95.0   106.0  Favored   9   7  0.34  10  0.42  molprobity     1  True   
1427  1427  t        -101.4   132.6  Favored   9   7  0.35  10  0.44  molprobity     1  True   
1428  1428  t         -74.1   143.1  Favored   5   6  0.45   8  0.38  molprobity     1  True   
1429  1429  ptt180    -66.4   -33.0  Favored  13  11  1.16  14  0.37  molprobity     1  True   
1430  1430  ?         -63.2   -32.1  Favored   5   5  0.34   7  0.27  molprobity     1  True   
1431  1431  ?         -69.7   -45.4  Favored   5   5  0.32   7  0.24  molprobity     1  True   
1432  1432  mt        -58.4   -39.8  Favored  11   8  0.38  11  0.16  molprobity     1  True   
1433  1433  mm100     -60.3   -44.0  Favored   8   9  0.34  12  0.20  molprobity     1  True   
1434  1434  ?         -60.9   -40.0  Favored   5   5  0.36   7  0.26  molprobity     1  True   
1435  1435  mt        -66.8   -29.2  Favored  11   8  0.37  11  0.35  molprobity     1  True   
1436  1436  ?          88.6    31.9  Favored   3   4  0.37   5  0.17  molprobity     1  True   
1437  1437  t         -73.4   123.3  Favored   9   7  0.35  10  0.40  molprobity     1  True   
1438  1438  ?         -88.1   150.0  Favored   5   5  0.30   7  0.22  molprobity     1  True   
1439  1439  tt0       -47.3   126.7  Favored   6   9  0.38  12  0.37  molprobity     1  True   
1440  1440  ?         105.6   -42.4  Allowed   3   4  0.54   5  0.35  molprobity     1  True   
1441  1441  ?         -59.2   -26.2  Favored   3   4  0.47   5  0.56  molprobity     1  True   
1442  1442  pt-20     -52.0   -33.9  Favored   6   9  0.43  12  0.52  molprobity     1  True   
1443  1443  mtp180    -89.7    -3.0  Favored  13  11  1.29  14  0.35  molprobity     1  True   
1444  1444  m        -136.8    72.5  Favored   5   6  0.47   9  0.52  molprobity     1  True   
1445  1445  Cg_endo   -59.9   -26.8  Favored   7   8  0.41  11  0.23  molprobity     1  True   
1446  1446  mt-30     -63.0   -25.5  Favored   8   9  0.39  12  0.26  molprobity     1  True   
1447  1447  m         -83.9   -31.4  Favored   5   6  0.52   8  0.18  molprobity     1  True   
1448  1448  t         -75.5   -44.7  Favored   9   7  0.41  10  0.40  molprobity     1  True   
1449  1449  ?          94.9   -78.3  Allowed   3   4  0.46   5  0.16  molprobity     1  True   
1450  1450  m95      -111.8   114.4  Favored  10  16  0.24  23  0.21  molprobity     1  True   
1451  1451  mpp?     -126.4   134.6  Favored   9   8  0.38  11  0.51  molprobity     1  True   
1452  1452  Cg_endo   -81.9   123.8  Favored   7   8  0.32  11  0.38  molprobity     1  True   
1453  1453  ?        -148.2   176.4  Favored   3   4  0.38   5  0.37  molprobity     1  True   
1454  1454  tp        -97.4   121.7  Favored  11   8  0.35  11  0.18  molprobity     1  True   
1455  1455  t-20      -93.0   121.5  Favored   6   8  0.37  11  0.23  molprobity     1  True   
1456  1456  mm-40     -72.7   -27.0  Favored   6   9  0.37  12  0.42  molprobity     1  True   
1457  1457  tpm_?     -58.6   -52.6  Favored  13  11  1.27  14  0.66  molprobity     1  True   
1458  1458  p         -92.4   -15.8  Favored   7   7  0.42  10  0.57  molprobity     1  True   
1459  1459  mtp85      60.1    24.4  Favored  13  11  1.24  14  0.56  molprobity     1  True   
1460  1460  mm-40    -118.7   161.1  Favored   8   9  0.35  12  0.29  molprobity     1  True   
1461  1461  mtm180    -92.5   150.7  Favored  13  11  1.11  14  0.36  molprobity     1  True   
1462  1462  ?        -176.8  -175.3  Favored   3   4  0.43   5  0.11  molprobity     1  True   
1463  1463  m-20     -102.5   143.5  Favored   4   8  0.27  11  0.37  molprobity     1  True   
1464  1464  p90      -139.9   143.1  Favored   9  12  0.44  17  0.37  molprobity     1  True   
1465  1465  Cg_exo    -72.4   118.3  Favored   7   8  0.43  11  0.36  molprobity     1  True   
1466  1466  ?         -60.3   -14.4  Favored   3   4  0.50   5  0.27  molprobity     1  True   
1467  1467  t         -71.5    -5.7  Favored   7   7  0.51  10  0.54  molprobity     1  True   
1468  1468  m-85     -111.0     1.0  Favored   9  13  0.39  18  0.24  molprobity     1  True   
1469  1469  m        -128.4   148.6  Favored   9   7  0.39  10  0.52  molprobity     1  True   
1470  1470  pt-20     -98.8   167.2  Favored   6   9  0.42  12  0.36  molprobity     1  True   
1471  1471  t80       -99.0   123.3  Favored   9  12  0.39  16  0.19  molprobity     1  True   
1472  1472  mt        -94.3   -47.0  Favored  11   8  0.46  11  0.23  molprobity     1  True   
1473  1473  ?         140.7  -179.7  Favored   3   4  0.53   6  0.61  molprobity     1  True   
1474  1474  Cg_endo   -71.8   142.9  Favored   7   8  0.32  11  0.21  molprobity     1  True   
1475  1475  mp        -68.1   134.0  Favored  11   8  0.37  11  0.27  molprobity     1  True   
1476  1476  tp10          ?       ?  ?         6   8  0.60   9  0.42  molprobity     ?  False  
1477  1477  tpt           ?       ?  ?        11   8  0.61  10  0.25  molprobity     ?  False  
1478  1478  ?        -101.8   144.8  Favored   5   5  0.34   7  0.30  molprobity     ?  False  
1479  1479  ?         153.4  -145.8  Favored   3   4  0.52   6  0.63  molprobity     ?  False  
1480  1480  Cg_endo   -89.8  -174.7  Allowed   7   8  0.40  11  0.30  molprobity     ?  False  
1481  1481  pt-20    -118.4   -26.9  Favored   6   9  0.43  12  0.46  molprobity     ?  False  
1482  1482  ?         -80.0  -149.3  Favored   3   4  0.38   5  0.58  molprobity     1  True   
1483  1483  m-85     -112.5   163.4  Favored   9  12  0.37  16  0.20  molprobity     1  True   
1484  1484  mt-30    -108.0   126.2  Favored   8   9  0.38  12  0.40  molprobity     1  True   
1485  1485  m-85     -117.8   169.6  Favored   9  13  0.38  18  0.29  molprobity     1  True   
1486  1486  ttt85    -136.0   124.5  Favored  13  11  1.20  14  0.57  molprobity     1  True   
1487  1487  ?         -79.7   129.2  Favored   5   5  0.30   7  0.21  molprobity     1  True   
1488  1488  mt        -81.8   -49.6  Favored  11   8  0.42  11  0.23  molprobity     1  True   
1489  1489  m-85     -124.9   164.4  Favored   9  13  0.45  19  0.38  molprobity     1  True   
1490  1490  Cg_endo   -74.3   119.9  Favored   7   8  0.44  11  0.27  molprobity     1  True   
1491  1491  m-85     -125.2   143.1  Favored   9  12  0.37  16  0.18  molprobity     1  True   
1492  1492  mtp-105  -126.4   160.4  Favored  13  11  1.16  14  0.83  molprobity     ?  False  
1493  1493  tpp180   -104.9   149.9  Favored  13  11  1.21  14  0.81  molprobity     ?  False  
1494  1494  mp0       -57.7   -37.8  Favored   6   9  0.47  12  0.37  molprobity     ?  False  
1495  1495  mtt180   -115.9   146.5  Favored  13  11  1.20  15  0.56  molprobity     ?  False  
1496  1496  Cg_endo   -67.9     6.8  Allowed   7   8  0.54  11  0.38  molprobity     ?  False  
1497  1497  tp10      -62.3   -40.5  Favored   6   9  0.41  12  0.41  molprobity     ?  False  
1498  1498  m-20      -82.0  -163.3  Allowed   4   8  0.38  11  0.53  molprobity     ?  False  
1499  1499  tp       -124.0   120.2  Favored  11   8  0.41  11  0.23  molprobity     1  True   
1500  1500  OUTLIER   -64.6   154.6  Favored   6   9  0.38  12  0.49  molprobity     1  True   
1501  1501  mt       -116.1   139.0  Favored  11   8  0.36  11  0.23  molprobity     1  True   
1502  1502  mm?      -121.3   154.9  Favored  11   8  0.56  12  0.45  molprobity     1  True   
1503  1503  Cg_endo   -66.9   115.5  Favored   7   8  0.34  11  0.27  molprobity     1  True   
1504  1504  ?          90.5    22.1  Favored   3   4  0.44   5  0.14  molprobity     1  True   
1505  1505  m-20      -89.4   136.3  Favored   4   8  0.23  11  0.37  molprobity     1  True   
1506  1506  t         -95.2   125.5  Favored   9   7  0.35  10  0.38  molprobity     1  True   
1507  1507  mp       -121.0   127.5  Favored  11   8  0.41  11  0.29  molprobity     1  True   
1508  1508  t         -98.2   122.4  Favored   9   7  0.27  10  0.46  molprobity     1  True   
1509  1509  t        -109.5   125.1  Favored   9   7  0.35  10  0.41  molprobity     1  True   
1510  1510  m         -60.1   129.7  Favored   5   6  0.45   8  0.19  molprobity     1  True   
1511  1511  ptm180    -57.4   -30.4  Favored  13  11  1.11  14  0.41  molprobity     1  True   
1512  1512  ?         -56.9   -41.0  Favored   5   5  0.38   7  0.23  molprobity     1  True   
1513  1513  ?         -63.2   -46.5  Favored   5   5  0.35   7  0.26  molprobity     1  True   
1514  1514  mt        -53.2   -46.2  Favored  11   8  0.42  11  0.32  molprobity     1  True   
1515  1515  mt-30     -59.3   -52.1  Favored   8   9  0.34  12  0.29  molprobity     1  True   
1516  1516  ?         -61.1   -44.4  Favored   5   5  0.36   7  0.23  molprobity     1  True   
1517  1517  mt        -62.7   -28.8  Favored  11   8  0.42  11  0.24  molprobity     1  True   
1518  1518  ?         100.2    23.8  Favored   3   4  0.41   5  0.10  molprobity     1  True   
1519  1519  t         -68.9   110.5  Favored   9   7  0.35  10  0.36  molprobity     1  True   
1520  1520  ?         -76.3   149.9  Favored   5   5  0.27   7  0.24  molprobity     1  True   
1521  1521  tt0       -52.1   128.0  Favored   6   9  0.42  12  0.41  molprobity     1  True   
1522  1522  ?         108.6   -44.6  Allowed   3   4  0.45   5  0.38  molprobity     1  True   
1523  1523  ?         -64.9   -20.6  Favored   3   4  0.46   5  0.40  molprobity     1  True   
1524  1524  tp10      -50.8   -43.7  Favored   6   9  0.43  12  0.47  molprobity     1  True   
1525  1525  mmm180    -77.7    -5.2  Favored  13  11  1.24  14  0.40  molprobity     1  True   
1526  1526  m        -135.5    71.3  Favored   5   6  0.42   9  0.45  molprobity     1  True   
1527  1527  Cg_endo   -59.8   -24.2  Favored   7   8  0.30  11  0.55  molprobity     1  True   
1528  1528  pt20      -55.1   -26.1  Favored   8   9  0.43  12  0.38  molprobity     1  True   
1529  1529  t         -89.1   -33.6  Favored   5   6  0.54   8  0.27  molprobity     1  True   
1530  1530  t         -67.6   -58.8  Favored   9   7  0.43  10  0.47  molprobity     1  True   
1531  1531  ?         122.9  -116.6  Favored   3   4  0.58   5  0.15  molprobity     1  True   
1532  1532  m0       -102.4   127.8  Favored  10  16  0.31  23  0.18  molprobity     1  True   
1533  1533  mtm      -134.2   148.5  Favored   9   8  0.45  11  0.56  molprobity     1  True   
1534  1534  Cg_endo   -82.2   124.7  Favored   7   8  0.46  11  0.34  molprobity     1  True   
1535  1535  ?        -153.0  -174.0  Favored   3   4  0.51   5  0.43  molprobity     1  True   
1536  1536  tp       -106.7   115.3  Favored  11   8  0.43  11  0.30  molprobity     1  True   
1537  1537  t-20      -82.6   104.0  Favored   6   8  0.43  11  0.22  molprobity     1  True   
1538  1538  mt-10     -68.0    -9.0  Favored   6   9  0.45  12  0.52  molprobity     1  True   
1539  1539  ttp85     -81.5   -29.1  Favored  13  11  1.16  14  0.31  molprobity     1  True   
1540  1540  p        -113.1   -11.6  Favored   7   7  0.44  10  0.53  molprobity     1  True   
1541  1541  OUTLIER    65.9    14.3  Favored  13  11  1.24  14  0.35  molprobity     1  True   
1542  1542  mm-40     -96.8   145.7  Favored   8   9  0.36  12  0.33  molprobity     1  True   
1543  1543  OUTLIER  -104.7   130.2  Favored  13  11  1.17  14  0.58  molprobity     1  True   
1544  1544  ?        -170.3  -175.8  Favored   3   4  0.39   5  0.20  molprobity     1  True   
1545  1545  m-20      -89.1   117.1  Favored   4   8  0.23  11  0.34  molprobity     1  True   
1546  1546  p90      -122.3   148.5  Favored   9  12  0.41  17  0.34  molprobity     1  True   
1547  1547  Cg_exo    -67.2    92.0  Allowed   7   8  0.44  11  0.31  molprobity     1  True   
1548  1548  ?         -66.7   -10.0  Favored   3   4  0.49   5  0.14  molprobity     1  True   
1549  1549  m         -61.5   -30.2  Favored   7   7  0.54  10  0.51  molprobity     1  True   
1550  1550  m-85      -93.8     4.7  Favored   9  13  0.38  18  0.39  molprobity     1  True   
1551  1551  m        -108.2   151.0  Favored   9   7  0.40  10  0.48  molprobity     1  True   
1552  1552  pt-20    -102.1   158.3  Favored   6   9  0.38  12  0.34  molprobity     1  True   
1553  1553  t80       -89.6   124.2  Favored   9  12  0.41  16  0.19  molprobity     1  True   
1554  1554  mt        -93.5   -45.1  Favored  11   8  0.42  11  0.27  molprobity     1  True   
1555  1555  ?         146.2   176.3  Favored   3   4  0.37   6  0.61  molprobity     1  True   
1556  1556  Cg_endo   -84.3   174.2  Favored   7   8  0.33  11  0.28  molprobity     1  True   
1557  1557  OUTLIER  -121.8   132.2  Favored  11   8  0.48  11  0.37  molprobity     1  True   
1558  1558  pt-20         ?       ?  ?         6   8  0.88   9  0.50  molprobity     ?  False  
1559  1559  ptp           ?       ?  ?        11   8  0.63  10  0.25  molprobity     ?  False  
1560  1560  ?        -164.3   152.7  Favored   5   5  0.40   7  0.31  molprobity     ?  False  
1561  1561  ?          78.7  -165.5  Favored   3   4  0.55   6  0.56  molprobity     ?  False  
1562  1562  Cg_endo   -72.5    98.9  Allowed   7   8  0.32  11  0.22  molprobity     ?  False  
1563  1563  tm-20     -67.6   -45.6  Favored   6   9  0.44  12  0.49  molprobity     ?  False  
1564  1564  ?        -156.2   177.8  Favored   3   4  0.43   5  0.17  molprobity     1  True   
1565  1565  m-85     -127.0   138.1  Favored   9  12  0.37  16  0.14  molprobity     1  True   
1566  1566  mt-30     -92.6   131.1  Favored   8   9  0.36  12  0.48  molprobity     1  True   
1567  1567  m-85     -119.9   163.2  Favored   9  13  0.35  18  0.31  molprobity     1  True   
1568  1568  ttm180   -140.7   125.6  Favored  13  11  1.12  14  0.25  molprobity     1  True   
1569  1569  ?         -77.4   127.5  Favored   5   5  0.29   7  0.30  molprobity     1  True   
1570  1570  mt        -80.6   -39.0  Favored  11   8  0.37  11  0.27  molprobity     1  True   
1571  1571  m-85     -130.7   141.1  Favored   9  13  0.37  19  0.37  molprobity     1  True   
1572  1572  Cg_endo   -65.9   120.9  Favored   7   8  0.31  11  0.25  molprobity     1  True   
1573  1573  t80      -131.7   123.7  Favored   9  12  0.39  16  0.16  molprobity     1  True   
1574  1574  mtp180   -103.6    99.1  Favored  13  11  1.25  14  0.77  molprobity     ?  False  
1575  1575  mtp180     64.3   140.5  OUTLIER  13  11  1.25  14  0.93  molprobity     ?  False  
1576  1576  mt-10    -103.9   -50.9  Favored   6   9  0.34  12  0.53  molprobity     ?  False  
1577  1577  mmt180    -89.1   159.4  Favored  13  11  1.31  15  0.69  molprobity     ?  False  
1578  1578  Cg_endo   -65.8    -8.5  Favored   7   8  0.47  11  0.23  molprobity     ?  False  
1579  1579  tt0       -96.8   -19.3  Favored   6   9  0.49  12  0.46  molprobity     ?  False  
1580  1580  m-20      -61.8   174.3  Allowed   4   8  0.36  11  0.58  molprobity     ?  False  
1581  1581  tp        -99.8   151.6  Favored  11   8  0.37  11  0.31  molprobity     1  True   
1582  1582  mt-10     -97.6   127.9  Favored   6   9  0.44  12  0.37  molprobity     1  True   
1583  1583  mt       -103.9   149.0  Favored  11   8  0.43  11  0.36  molprobity     1  True   
1584  1584  mm?      -119.9   155.9  Favored  11   8  0.58  12  0.42  molprobity     1  True   
1585  1585  Cg_endo   -71.3   105.2  Allowed   7   8  0.43  11  0.29  molprobity     1  True   
1586  1586  ?          87.1    49.5  Favored   3   4  0.55   5  0.18  molprobity     1  True   
1587  1587  p30      -106.8   174.7  Favored   4   8  0.36  11  0.31  molprobity     1  True   
1588  1588  t        -123.3   113.7  Favored   9   7  0.38  10  0.45  molprobity     1  True   
1589  1589  mp       -105.2   130.5  Favored  11   8  0.38  11  0.25  molprobity     1  True   
1590  1590  t        -103.8   111.8  Favored   9   7  0.36  10  0.42  molprobity     1  True   
1591  1591  t        -102.7   128.6  Favored   9   7  0.38  10  0.45  molprobity     1  True   
1592  1592  p         -72.6   142.6  Favored   5   6  0.50   8  0.27  molprobity     1  True   
1593  1593  ptt180    -54.8   -36.1  Favored  13  11  1.13  14  0.40  molprobity     1  True   
1594  1594  ?         -61.0   -33.8  Favored   5   5  0.35   7  0.22  molprobity     1  True   
1595  1595  ?         -66.3   -51.0  Favored   5   5  0.33   7  0.21  molprobity     1  True   
1596  1596  mt        -54.5   -43.4  Favored  11   8  0.43  11  0.21  molprobity     1  True   
1597  1597  mt-30     -69.3   -33.8  Favored   8   9  0.33  12  0.23  molprobity     1  True   
1598  1598  ?         -67.8   -22.5  Favored   5   5  0.40   7  0.32  molprobity     1  True   
1599  1599  mt        -86.8   -10.1  Favored  11   8  0.43  11  0.28  molprobity     1  True   
1600  1600  ?          71.7    33.2  Favored   3   4  0.40   5  0.09  molprobity     1  True   
1601  1601  t         -70.0   135.1  Favored   9   7  0.36  10  0.41  molprobity     1  True   
1602  1602  ?         -82.7   130.2  Favored   5   5  0.29   7  0.30  molprobity     1  True   
1603  1603  tm-20     -49.3   116.3  Allowed   6   9  0.46  12  0.48  molprobity     1  True   
1604  1604  ?         112.6     2.3  Favored   3   4  0.44   5  0.27  molprobity     1  True   
1605  1605  ?        -108.9     5.9  Favored   3   4  0.54   5  0.18  molprobity     1  True   
1606  1606  mp0       -59.0   -29.7  Favored   6   9  0.55  12  0.45  molprobity     1  True   
1607  1607  mtm180    -80.5    -2.7  Favored  13  11  1.21  14  0.64  molprobity     1  True   
1608  1608  m        -128.3    64.4  Favored   5   6  0.51   9  0.48  molprobity     1  True   
1609  1609  Cg_endo   -65.2   -22.4  Favored   7   8  0.34  11  0.27  molprobity     1  True   
1610  1610  pt20      -62.9   -21.1  Favored   8   9  0.36  12  0.29  molprobity     1  True   
1611  1611  t         -87.4    -4.0  Favored   5   6  0.53   8  0.22  molprobity     1  True   
1612  1612  t         -98.8   -54.5  Favored   9   7  0.36  10  0.42  molprobity     1  True   
1613  1613  ?         119.4  -120.3  Favored   3   4  0.42   5  0.16  molprobity     1  True   
1614  1614  m0        -92.1   111.6  Favored  10  16  0.21  23  0.19  molprobity     1  True   
1615  1615  mtm      -103.8   133.0  Favored   9   8  0.40  11  0.47  molprobity     1  True   
1616  1616  Cg_exo    -67.2   117.7  Favored   7   8  0.40  11  0.39  molprobity     1  True   
1617  1617  ?        -152.9   168.5  Favored   3   4  0.41   5  0.25  molprobity     1  True   
1618  1618  tp       -112.6   114.1  Favored  11   8  0.35  11  0.17  molprobity     1  True   
1619  1619  t-20      -82.0   104.3  Favored   6   8  0.43  11  0.19  molprobity     1  True   
1620  1620  mm-40     -70.0     0.5  Favored   6   9  0.41  12  0.47  molprobity     1  True   
1621  1621  tpm_?     -81.4   -43.5  Favored  13  11  1.29  14  0.68  molprobity     1  True   
1622  1622  p        -107.8    -6.8  Favored   7   7  0.46  10  0.67  molprobity     1  True   
1623  1623  mmm-85     59.2    19.4  Favored  13  11  1.26  14  0.49  molprobity     1  True   
1624  1624  mm100     -95.3   145.6  Favored   8   9  0.39  12  0.31  molprobity     1  True   
1625  1625  tpp180    -99.5   140.9  Favored  13  11  1.22  14  0.65  molprobity     1  True   
1626  1626  ?         168.2   177.3  Favored   3   4  0.39   5  0.28  molprobity     1  True   
1627  1627  m-20      -89.5   128.8  Favored   4   8  0.27  11  0.43  molprobity     1  True   
1628  1628  p90      -119.0   141.3  Favored   9  12  0.48  17  0.38  molprobity     1  True   
1629  1629  Cg_endo   -67.9   113.4  Favored   7   8  0.41  11  0.27  molprobity     1  True   
1630  1630  ?         -74.5    23.1  Allowed   3   4  0.64   5  0.42  molprobity     1  True   
1631  1631  p         -93.8   -18.6  Favored   7   7  0.42  10  0.56  molprobity     1  True   
1632  1632  m-85     -108.0     9.0  Favored   9  13  0.35  18  0.22  molprobity     1  True   
1633  1633  m        -122.5   151.1  Favored   9   7  0.42  10  0.60  molprobity     1  True   
1634  1634  pt-20    -110.4   160.6  Favored   6   9  0.40  12  0.36  molprobity     1  True   
1635  1635  t80       -93.1   115.4  Favored   9  12  0.43  16  0.24  molprobity     1  True   
1636  1636  mt        -84.6   -44.2  Favored  11   8  0.43  11  0.25  molprobity     1  True   
1637  1637  ?         127.0   178.0  Favored   3   4  0.70   6  0.64  molprobity     1  True   
1638  1638  Cg_exo    -65.5   164.2  Favored   7   8  0.47  11  0.31  molprobity     1  True   
1639  1639  mp        -99.6   151.3  Favored  11   8  0.46  11  0.21  molprobity     1  True   
1640  1640  OUTLIER       ?       ?  ?         6   8  0.75   9  0.54  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1     1  SD     1  0.48  2.78  
  2     1  N      1  0.48  2.78  
  3    14  HA     2  0.43  2.13  
  4    17  HG3    3  0.47  1.87  
  5    24  HB2    3  0.47  1.87  
  6    25  O      2  0.43  2.13  
  7    83  N      4  0.43  2.29  
  8    96  HA     5  0.42  2.15  
  9    99  HG3    6  0.62  1.69  
 10   100  HG3    7  0.56  1.77  
 11   101  HG3    7  0.56  1.77  
 12   106  HG3    6  0.62  1.69  
 13   106  HB2    8  0.45  1.89  
 14   107  O      5  0.42  2.15  
 15   123  HD21   9  0.44  1.90  
 16   140  HD3    9  0.44  1.90  
 17   143  O     10  0.49  2.07  
 18   146  HG21   8  0.45  1.89  
 19   147  HA    10  0.49  2.07  
 20   164  HG3    4  0.43  2.29  
 21   179  H     11  0.45  1.71  
 22   189  HB2   11  0.45  1.71  
 23   190  HG    12  0.42  1.92  
 24   195  HD12  13  0.42  2.30  
 25   195  N     13  0.42  2.30  
 26   227  HG2   12  0.42  1.92  
 27   247  SD    14  0.47  2.83  
 28   247  N     14  0.47  2.83  
 29   260  HA    15  0.41  2.16  
 30   262  HD2   16  0.41  2.15  
 31   262  O     16  0.41  2.15  
 32   271  O     15  0.41  2.16  
 33   283  HB1   17  0.43  1.90  
 34   297  HB3   18  0.42  2.55  
 35   303  SD    18  0.42  2.55  
 36   304  HG2   17  0.43  1.90  
 37   307  O     19  0.45  2.11  
 38   311  HA    19  0.45  2.11  
 39   342  HA    20  0.46  2.10  
 40   345  HG3   21  0.47  2.25  
 41   346  N     21  0.47  2.25  
 42   353  O     20  0.46  2.10  
 43   385  SD    22  0.42  2.92  
 44   385  N     22  0.42  2.92  
 45   411  SD    23  0.41  2.78  
 46   411  N     23  0.41  2.78  
 47   424  HA    24  0.43  2.14  
 48   435  O     24  0.43  2.14  
 49   462  HG2   25  0.46  1.87  
 50   483  HA    25  0.46  1.87  
 51   506  HA    26  0.44  2.12  
 52   509  HD3   27  0.45  1.88  
 53   516  HG2   27  0.45  1.88  
 54   517  O     26  0.44  2.12  
 55   549  SD    28  0.43  2.92  
 56   549  N     28  0.43  2.92  
 57   556  OG1   29  0.41  2.16  
 58   558  HG2   29  0.41  2.16  
 59   573  N     30  0.41  2.31  
 60   573  HD12  30  0.41  2.31  
 61   578  HB3   31  0.40  1.93  
 62   582  HG3   32  0.60  1.73  
 63   583  HA    33  0.43  2.13  
 64   591  HB2   34  0.62  1.71  
 65   591  HD3   35  0.41  1.74  
 66   592  H     35  0.41  1.74  
 67   598  HG2   34  0.62  1.71  
 68   650  O     33  0.43  2.13  
 69   654  HB3   31  0.40  1.93  
 70   655  HD11  32  0.60  1.73  
 71   655  HD12  36  0.41  2.31  
 72   655  N     36  0.41  2.31  
 73   657  SD    37  0.55  2.79  
 74   657  N     37  0.55  2.79  
 75   666  HA    38  0.42  2.13  
 76   673  HG2   39  0.41  1.93  
 77   678  HB2   39  0.41  1.93  
 78   685  O     38  0.42  2.13  
 79   742  HD2   40  0.43  1.90  
 80   752  HA    41  0.48  2.08  
 81   763  O     41  0.48  2.08  
 82   819  HD22  40  0.43  1.90  
 83   838  HG3   42  0.60  1.73  
 84   839  HG3   42  0.60  1.73  
 85   846  HB2   43  0.47  2.25  
 86   851  HD12  44  0.44  2.27  
 87   851  N     44  0.44  2.27  
 88   883  NE    43  0.47  2.25  
 89   919  HG3   45  0.44  1.90  
 90   924  HB3   45  0.44  1.90  
 91   933  HD12  46  0.42  2.30  
 92   933  N     46  0.42  2.30  
 93   948  HA2   47  0.47  2.25  
 94   948  HA2   48  0.44  1.73  
 95   951  NH2   47  0.47  2.25  
 96   951  HH21  48  0.44  1.73  
 97   952  SG    49  0.63  2.72  
 98   952  SG    50  0.46  2.51  
 99   954  NE2   49  0.63  2.72  
100   955  HB2   50  0.46  2.51  
101   983  N     51  0.41  2.31  
102   983  HD12  51  0.41  2.31  
103   998  HA    52  0.46  2.11  
104  1001  HE    53  0.47  1.68  
105  1001  HA    53  0.47  1.68  
106  1009  O     52  0.46  2.11  
107  1034  SG    54  0.47  2.50  
108  1036  HG2   54  0.47  2.50  
109  1041  SD    55  0.44  2.91  
110  1041  N     55  0.44  2.91  
111  1080  HA    56  0.41  2.16  
112  1091  O     56  0.41  2.16  
113  1097  HD12  57  0.43  2.28  
114  1097  N     57  0.43  2.28  
115  1116  SG    58  0.49  2.47  
116  1119  HB3   58  0.49  2.47  
117  1162  HA    59  0.52  2.05  
118  1173  O     59  0.52  2.05  
119  1231  SD    60  0.53  2.87  
120  1231  C     60  0.53  2.87  
121  1255  HD13  61  0.45  2.46  
122  1304  CZ    61  0.45  2.46  
123  1329  HG2   62  0.41  1.91  
124  1334  HB2   62  0.41  1.91  
125  1335  HB2   63  0.41  1.92  
126  1380  HA3   63  0.41  1.92  
127  1393  N     64  0.45  2.27  
128  1393  HD12  64  0.45  2.27  
129  1400  HA3   65  0.41  2.14  
130  1408  HA    66  0.48  2.09  
131  1419  O     66  0.48  2.09  
132  1427  O     65  0.41  2.14  
133  1435  HD11  67  0.40  1.92  
134  1442  HG3   68  0.46  1.87  
135  1443  HG3   68  0.46  1.87  
136  1446  HG2   69  0.51  1.82  
137  1452  HD2   67  0.40  1.92  
138  1467  HA    69  0.51  1.82  
139  1482  HA3   70  0.42  2.14  
140  1490  HA    71  0.48  2.08  
141  1501  O     71  0.48  2.08  
142  1509  O     70  0.42  2.14  
143  1528  HA    72  0.40  1.92  
144  1548  O     73  0.45  2.12  
145  1549  HA    72  0.40  1.92  
146  1551  HG22  73  0.45  2.12  
147  1589  HD12  74  0.42  2.29  
148  1589  N     74  0.42  2.29  
149  1639  N     75  0.44  2.27  
150  1639  HD12  75  0.44  2.27  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  1  ?     
 3  1  ?     
 4  3  ?     
 5  1  ?     
 6  1  ?     
 7  1  ?     
 8  1  ?     
 9  1  ?     
10  1  ?     
11  1  True  
12  1  ?     
13  2  ?     
14  1  ?     
15  1  ?     
16  1  ?     
17  1  ?     
18  1  ?     
19  3  True  
20  2  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  69
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.580
_pdbx_vrpt_cyrange_domain.medoid_model        18
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.745
_pdbx_vrpt_cyrange_domain.residue_string      "A:6-A:15, A:23-A:81"
#
_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           966
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           966
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            966
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  ALA   2  0.112  
 2  A  GLY   3  0.107  
 3  A  PRO   4  0.089  
 4  A  GLU   5  0.063  
 5  A  GLY   6  0.035  
 6  A  PHE   7  0.020  
 7  A  GLN   8  0.014  
 8  A  TYR   9  0.015  
 9  A  ARG  10  0.019  
10  A  ALA  11  0.025  
11  A  LEU  12  0.027  
12  A  TYR  13  0.024  
13  A  PRO  14  0.024  
14  A  PHE  15  0.034  
15  A  ARG  16  0.054  
16  A  ARG  17  0.069  
17  A  GLU  18  0.070  
18  A  ARG  19  0.057  
19  A  PRO  20  0.042  
20  A  GLU  21  0.032  
21  A  ASP  22  0.028  
22  A  LEU  23  0.027  
23  A  GLU  24  0.032  
24  A  LEU  25  0.034  
25  A  LEU  26  0.036  
26  A  PRO  27  0.033  
27  A  GLY  28  0.031  
28  A  ASP  29  0.025  
29  A  VAL  30  0.021  
30  A  LEU  31  0.017  
31  A  VAL  32  0.019  
32  A  VAL  33  0.021  
33  A  SER  34  0.025  
34  A  ARG  35  0.024  
35  A  ALA  36  0.023  
36  A  ALA  37  0.021  
37  A  LEU  38  0.020  
38  A  GLN  39  0.023  
39  A  ALA  40  0.037  
40  A  LEU  41  0.060  
41  A  GLY  42  0.084  
42  A  VAL  43  0.082  
43  A  ALA  44  0.063  
44  A  GLU  45  0.038  
45  A  GLY  46  0.025  
46  A  GLY  47  0.020  
47  A  GLU  48  0.019  
48  A  ARG  49  0.020  
49  A  CYS  50  0.024  
50  A  PRO  51  0.030  
51  A  GLN  52  0.036  
52  A  SER  53  0.053  
53  A  VAL  54  0.065  
54  A  GLY  55  0.073  
55  A  TRP  56  0.055  
56  A  MET  57  0.036  
57  A  PRO  58  0.020  
58  A  GLY  59  0.017  
59  A  LEU  60  0.018  
60  A  ASN  61  0.021  
61  A  GLU  62  0.022  
62  A  ARG  63  0.025  
63  A  THR  64  0.026  
64  A  ARG  65  0.024  
65  A  GLN  66  0.021  
66  A  ARG  67  0.017  
67  A  GLY  68  0.015  
68  A  ASP  69  0.015  
69  A  PHE  70  0.016  
70  A  PRO  71  0.017  
71  A  GLY  72  0.024  
72  A  THR  73  0.023  
73  A  TYR  74  0.021  
74  A  VAL  75  0.013  
75  A  GLU  76  0.017  
76  A  PHE  77  0.023  
77  A  LEU  78  0.029  
78  A  GLY  79  0.030  
79  A  PRO  80  0.037  
80  A  LEU  81  0.052  
81  A  GLU  82  0.064  
#
loop_
_pdbx_vrpt_chemical_shift_outlier.ordinal
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id
_pdbx_vrpt_chemical_shift_outlier.rescode
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id
_pdbx_vrpt_chemical_shift_outlier.label_atom_id
_pdbx_vrpt_chemical_shift_outlier.value
_pdbx_vrpt_chemical_shift_outlier.zscore
_pdbx_vrpt_chemical_shift_outlier.prediction
_pdbx_vrpt_chemical_shift_outlier.method
1  A  GLU  48  HG2  0.980  -6.250  1.24~3.3   BMRB-Statistics  
2  A  GLU  48  HG3  0.742  -7.180  1.2~3.3    BMRB-Statistics  
3  A  THR  64  HG1  5.972  22.910  0.08~2.19  BMRB-Statistics  
4  A  PRO  71  HG3  0.057  -5.870  0.33~3.48  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   0.05  74  
2  CA  0.50  0.15  -0.11  81  
3  CB  0.50  0.16  -0.17  69  
4  N   0.50  0.42  -0.08  67  
#
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  16   16  stereomethyl  stereomethyl  
 2  853  86  939  overall       Total         
 3  336   7  343  backbone      Total         
 4  451  66  517  sidechain     Total         
 5   66  13   79  aromatic      Total         
 6  478  40  518  overall       H             
 7  140   2  142  backbone      H             
 8  305  33  338  sidechain     H             
 9   33   5   38  aromatic      H             
10  308  26  334  overall       C             
11  135   3  138  backbone      C             
12  140  16  156  sidechain     C             
13   33   7   40  aromatic      C             
14   67  20   87  overall       N             
15   61   2   63  backbone      N             
16    6  17   23  sidechain     N             
17    0   1    1  aromatic      N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1    0   16    16  stereomethyl  stereomethyl  
 2  965  154  1119  overall       Total         
 3  381   24   405  backbone      Total         
 4  518  117   635  sidechain     Total         
 5   66   13    79  aromatic      Total         
 6  542   74   616  overall       H             
 7  159    8   167  backbone      H             
 8  350   61   411  sidechain     H             
 9   33    5    38  aromatic      H             
10  350   46   396  overall       C             
11  155    9   164  backbone      C             
12  162   30   192  sidechain     C             
13   33    7    40  aromatic      C             
14   73   34   107  overall       N             
15   67    7    74  backbone      N             
16    6   26    32  sidechain     N             
17    0    1     1  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    1017  
 2  "Intra-residue (|i-j|=0)"                       246  
 3  "Sequential (|i-j|=1)"                          262  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            112  
 5  "Long range (|i-j|>=5)"                         397  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"               108  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             12.8  
12  "Number of long range restraints per residue"   4.5  
#
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                  246   24.2  0  0.0  0.0  1  0.1  0.4  
 2  Intra-residue  BackboneBackbone       0    0.0  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    204   20.1  0  0.0  0.0  1  0.1  0.5  
 4  Intra-residue  SidechainSidechain    42    4.1  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  262   25.8  0  0.0  0.0  1  0.1  0.4  
 6  Sequential     BackboneBackbone      64    6.3  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    161   15.8  0  0.0  0.0  1  0.1  0.6  
 8  Sequential     SidechainSidechain    37    3.6  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  112   11.0  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone      21    2.1  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain     54    5.3  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain    37    3.6  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  397   39.0  0  0.0  0.0  1  0.1  0.3  
14  LongRange      BackboneBackbone      45    4.4  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    122   12.0  0  0.0  0.0  1  0.1  0.8  
16  LongRange      SidechainSidechain   230   22.6  0  0.0  0.0  0  0.0  0.0  
17  InterChain     all                    0    0.0  0  0.0  0.0  0  0.0  0.0  
18  InterChain     BackboneBackbone       0    0.0  0  0.0  0.0  0  0.0  0.0  
19  InterChain     BackboneSidechain      0    0.0  0  0.0  0.0  0  0.0  0.0  
20  InterChain     SidechainSidechain     0    0.0  0  0.0  0.0  0  0.0  0.0  
21  HydrogenBond   all                    0    0.0  0  0.0  0.0  0  0.0  0.0  
22  DisulfideBond  all                    0    0.0  0  0.0  0.0  0  0.0  0.0  
23  Total          all                 1017  100.0  0  0.0  0.0  3  0.3  0.3  
24  Total          BackboneBackbone     130   12.8  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    541   53.2  0  0.0  0.0  3  0.3  0.6  
26  Total          SidechainSidechain   346   34.0  0  0.0  0.0  0  0.0  0.0  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  0.00  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  0.13  0.12  0.12  0.01  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.12  0.12  0.12  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          1  
 41   7  interchain    0  
 42   7  total         2  
 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  1  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  1  
  2   1  sequential    1  
  3   1  medium        0  
  4   1  long          1  
  5   1  interchain    0  
  6   1  total         3  
  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  0.1   0.1   
2  0.2-0.5  None  None  
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  132  1   500   573  H    HD21  0.13  
2  132  1   500   573  H    HD22  0.13  
3  132  1   500   573  H    HD23  0.13  
4  985  1  1131  1131  H    HD2   0.12  
5  985  1  1131  1131  H    HD3   0.12  
6  850  1   512   513  HG2  H     0.12  
7  850  1   512   513  HG3  H     0.12  
#
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  PSI     57   52.8  0  0.0  0.0  12  11.1  21.1  
2  PHI     51   47.2  0  0.0  0.0   8   7.4  15.7  
3  Total  108  100.0  0  0.0  0.0  20  18.5  18.5  
#
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  1.50  1.50  1.50  0.00  
 3   3  2.20  1.75  1.75  0.45  
 4   4  2.20  2.20  2.20  0.00  
 5   5  1.30  1.30  1.30  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  1.30  1.15  1.10  0.09  
 8   8  3.20  2.20  2.20  1.00  
 9   9  1.60  1.52  1.55  0.08  
10  10  2.20  1.65  1.65  0.55  
11  11  1.90  1.75  1.75  0.15  
12  12  1.10  1.10  1.10  0.00  
13  13  2.90  2.10  2.10  0.80  
14  14  2.70  2.70  2.70  0.00  
15  15  1.50  1.30  1.30  0.20  
16  16  2.10  1.70  1.70  0.40  
17  17  1.20  1.20  1.20  0.00  
18  18  1.10  1.10  1.10  0.00  
19  19  1.90  1.90  1.90  0.00  
20  20  2.40  1.80  1.80  0.60  
#
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  PSI    0  
 2   1  PHI    0  
 3   1  Total  0  
 4   2  PSI    1  
 5   2  PHI    1  
 6   2  Total  2  
 7   3  PSI    0  
 8   3  PHI    2  
 9   3  Total  2  
10   4  PSI    1  
11   4  PHI    0  
12   4  Total  1  
13   5  PSI    1  
14   5  PHI    0  
15   5  Total  1  
16   6  PSI    0  
17   6  PHI    0  
18   6  Total  0  
19   7  PSI    2  
20   7  PHI    2  
21   7  Total  4  
22   8  PSI    1  
23   8  PHI    1  
24   8  Total  2  
25   9  PSI    3  
26   9  PHI    1  
27   9  Total  4  
28  10  PSI    1  
29  10  PHI    1  
30  10  Total  2  
31  11  PSI    2  
32  11  PHI    0  
33  11  Total  2  
34  12  PSI    1  
35  12  PHI    0  
36  12  Total  1  
37  13  PSI    2  
38  13  PHI    0  
39  13  Total  2  
40  14  PSI    1  
41  14  PHI    0  
42  14  Total  1  
43  15  PSI    2  
44  15  PHI    0  
45  15  Total  2  
46  16  PSI    1  
47  16  PHI    1  
48  16  Total  2  
49  17  PSI    0  
50  17  PHI    1  
51  17  Total  1  
52  18  PSI    1  
53  18  PHI    0  
54  18  Total  1  
55  19  PSI    1  
56  19  PHI    0  
57  19  Total  1  
58  20  PSI    2  
59  20  PHI    0  
60  20  Total  2  
#
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  PSI     7  
 2   1  PHI     6  
 3   1  Total  13  
 4   2  PSI     1  
 5   2  PHI     2  
 6   2  Total   3  
 7   3  PSI     2  
 8   3  PHI     0  
 9   3  Total   2  
10   4  PSI     2  
11   4  PHI     0  
12   4  Total   2  
13   5  PSI     0  
14   5  PHI     0  
15   5  Total   0  
16   6  PSI     0  
17   6  PHI     0  
18   6  Total   0  
19   7  PSI     0  
20   7  PHI     0  
21   7  Total   0  
22   8  PSI     0  
23   8  PHI     0  
24   8  Total   0  
25   9  PSI     0  
26   9  PHI     0  
27   9  Total   0  
28  10  PSI     0  
29  10  PHI     0  
30  10  Total   0  
31  11  PSI     0  
32  11  PHI     0  
33  11  Total   0  
34  12  PSI     0  
35  12  PHI     0  
36  12  Total   0  
37  13  PSI     0  
38  13  PHI     0  
39  13  Total   0  
40  14  PSI     0  
41  14  PHI     0  
42  14  Total   0  
43  15  PSI     0  
44  15  PHI     0  
45  15  Total   0  
46  16  PSI     0  
47  16  PHI     0  
48  16  Total   0  
49  17  PSI     0  
50  17  PHI     0  
51  17  Total   0  
52  18  PSI     0  
53  18  PHI     0  
54  18  Total   0  
55  19  PSI     0  
56  19  PHI     0  
57  19  Total   0  
58  20  PSI     0  
59  20  PHI     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   3.2   1.6   
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   61  1  .  A  44  ALA  ?     1  A  44  N  A  .  44  ALA  44  A  1  ?     CA  .  A  44  ALA  ?     1  A  44  C   A  .  45  GLU  45  A  1  ?     N  4  2.12  1.90  0.68  
2   20  1  .  A  20  PRO  ?     1  A  20  N  A  .  20  PRO  20  A  1  ?     CA  .  A  20  PRO  ?     1  A  20  C   A  .  21  GLU  21  A  1  ?     N  4  1.55  1.60  0.29  
3   15  1  .  A  14  PRO  ?     1  A  14  N  A  .  14  PRO  14  A  1  ?     CA  .  A  14  PRO  ?     1  A  14  C   A  .  15  PHE  15  A  1  ?     N  3  1.73  1.90  0.46  
4  108  1  .  A  81  LEU  ?     1  A  81  N  A  .  81  LEU  81  A  1  ?     CA  .  A  81  LEU  ?     1  A  81  C   A  .  82  GLU  82  A  1  ?     N  3  1.30  1.30  0.16  
5   33  1  .  A  29  ASP  ?     1  A  29  N  A  .  29  ASP  29  A  1  ?     CA  .  A  29  ASP  ?     1  A  29  C   A  .  30  VAL  30  A  1  ?     N  2  2.65  2.65  0.25  
6   18  1  .  A  15  PHE  ?     1  A  15  C  A  .  16  ARG  16  A  1  ?     N   .  A  16  ARG  ?     1  A  16  CA  A  .  16  ARG  16  A  1  ?     C  2  1.30  1.30  0.00  
7   23  1  .  A  22  ASP  ?     1  A  22  C  A  .  23  LEU  23  A  1  ?     N   .  A  23  LEU  ?     1  A  23  CA  A  .  23  LEU  23  A  1  ?     C  2  1.25  1.25  0.05  
#
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   61  1   618   618   618   619  N  CA  C   N  3.20  
 2   33  1  1013  1013  1013  1014  N  CA  C   N  2.90  
 3    2  1  1071  1071  1071  1072  N  CA  C   N  2.70  
 4   33  1  1587  1587  1587  1588  N  CA  C   N  2.40  
 5   75  1   219   220   220   220  C  N   CA  C  2.20  
 6   61  1   290   290   290   291  N  CA  C   N  2.20  
 7   15  1   752   752   752   753  N  CA  C   N  2.20  
 8   30  1  1256  1256  1256  1257  N  CA  C   N  2.10  
 9   20  1  1496  1496  1496  1497  N  CA  C   N  1.90  
10   15  1   834   834   834   835  N  CA  C   N  1.90  
11   61  1   700   700   700   701  N  CA  C   N  1.60  
12   20  1   676   676   676   677  N  CA  C   N  1.60  
13   20  1   840   840   840   841  N  CA  C   N  1.60  
14   61  1  1192  1192  1192  1193  N  CA  C   N  1.50  
15   60  1   125   126   126   126  C  N   CA  C  1.50  
16  108  1   163   163   163   164  N  CA  C   N  1.50  
17  107  1   736   737   737   737  C  N   CA  C  1.50  
18   67  1   705   705   705   706  N  CA  C   N  1.40  
19   24  1   351   351   351   352  N  CA  C   N  1.30  
20   23  1   514   515   515   515  C  N   CA  C  1.30  
21   18  1   179   180   180   180  C  N   CA  C  1.30  
22   18  1  1245  1246  1246  1246  C  N   CA  C  1.30  
23  108  1  1065  1065  1065  1066  N  CA  C   N  1.30  
24   94  1  1378  1379  1379  1379  C  N   CA  C  1.20  
25   31  1  1585  1585  1585  1586  N  CA  C   N  1.20  
26   23  1   596   597   597   597  C  N   CA  C  1.20  
27   96  1   560   561   561   561  C  N   CA  C  1.10  
28   80  1   797   798   798   798  C  N   CA  C  1.10  
29   35  1   522   522   522   523  N  CA  C   N  1.10  
30   20  1  1414  1414  1414  1415  N  CA  C   N  1.10  
31   19  1   508   508   508   509  N  CA  C   N  1.10  
32   15  1  1162  1162  1162  1163  N  CA  C   N  1.10  
33  108  1   983   983   983   984  N  CA  C   N  1.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
