data_7SZ0

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7SZ0       
EMDB  EMD-25558  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   "electron microscopy"
#
_pdbx_vrpt_summary.entry_id                    7SZ0
_pdbx_vrpt_summary.PDB_deposition_date         2021-11-25
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2021-12-22
_pdbx_vrpt_summary.EMDB_deposition_date        2021-11-25
_pdbx_vrpt_summary.report_creation_date        2022-11-26:23:51
_pdbx_vrpt_summary.attempted_validation_steps  visualanalysis,molprobity,validation-pack,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "Epidermal growth factor receptor"  
2  polymer  "Epidermal growth factor"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  1  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb  
2  all  "electron microscopy"  
#
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  48.46  158937  ?     ?     
2  2  1  56.74    4297  ?     ?     
3  1  2  43.90  154571  ?     ?     
4  2  2  51.85    4023  ?     ?     
5  1  3  62.40  154315  ?     ?     
6  2  3  39.02    3826  ?     ?     
#
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   47.33  
 2  4  2  A  1  1  A   76.50  
 3  5  3  A  1  1  A   60.43  
 4  6  3  A  1  1  A   78.34  
 5  3  2  B  1  2  C  100.00  
 6  4  2  B  1  2  C  100.00  
 7  5  3  B  1  2  C   48.54  
 8  6  3  B  1  2  C   72.67  
 9  3  2  C  1  1  B   28.63  
10  4  2  C  1  1  B   60.69  
11  5  3  C  1  1  B   60.43  
12  6  3  C  1  1  B   78.34  
13  3  2  D  1  2  D  100.00  
14  4  2  D  1  2  D  100.00  
15  5  3  D  1  2  D   48.54  
16  6  3  D  1  2  D   72.67  
#
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  0.49  0.30  4806  6501  
2  1  2  B  C  0.47  0.35   396   536  
3  1  1  C  B  0.50  0.32  4806  6501  
4  1  2  D  D  0.46  0.36   396   536  
#
loop_
_pdbx_vrpt_summary_entity_fit_to_map.ordinal
_pdbx_vrpt_summary_entity_fit_to_map.PDB_model_num
_pdbx_vrpt_summary_entity_fit_to_map.entity_id
_pdbx_vrpt_summary_entity_fit_to_map.label_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.auth_asym_id
_pdbx_vrpt_summary_entity_fit_to_map.average_residue_inclusion
_pdbx_vrpt_summary_entity_fit_to_map.Q_score
1  1  1  A  A  0.9775  0.468  
2  1  2  B  C  0.9873  0.491  
3  1  1  C  B  0.9704  0.453  
4  1  2  D  D  0.9870  0.500  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.30
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.74
_pdbx_vrpt_summary_geometry.clashscore                     6.15
_pdbx_vrpt_summary_geometry.num_H_reduce                   9800
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 10404
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.31
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                14074
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.49
#
_pdbx_vrpt_summary_em.exp_method                 "electron microscopy"
_pdbx_vrpt_summary_em.ordinal                    1
_pdbx_vrpt_summary_em.contour_level_primary_map  0.2
_pdbx_vrpt_summary_em.atom_inclusion_all_atoms   0.9744
_pdbx_vrpt_summary_em.atom_inclusion_backbone    0.9951
_pdbx_vrpt_summary_em.EMDB_resolution            3.3
_pdbx_vrpt_summary_em.Q_score                    0.463
#
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   25  LEU  A    1  .  ?        ?  
   2  1  1  A   26  GLU  A    2  .  ?        ?  
   3  1  1  A   27  GLU  A    3  .  ?        ?  
   4  1  1  A   28  LYS  A    4  .  ?        ?  
   5  1  1  A   29  LYS  A    5  .  ?        ?  
   6  1  1  A   30  VAL  A    6  .  ?        ?  
   7  1  1  A   31  CYS  A    7  .  ?        ?  
   8  1  1  A   32  GLN  A    8  .  ?        ?  
   9  1  1  A   33  GLY  A    9  .  ?        ?  
  10  1  1  A   34  THR  A   10  .  ?        ?  
  11  1  1  A   35  SER  A   11  .  ?        ?  
  12  1  1  A   36  ASN  A   12  .  ?        ?  
  13  1  1  A   37  LYS  A   13  .  ?        1  
  14  1  1  A   38  LEU  A   14  .  ?        ?  
  15  1  1  A   39  THR  A   15  .  ?        ?  
  16  1  1  A   40  GLN  A   16  .  ?        ?  
  17  1  1  A   41  LEU  A   17  .  ?        ?  
  18  1  1  A   42  GLY  A   18  .  ?        ?  
  19  1  1  A   43  THR  A   19  .  ?        ?  
  20  1  1  A   44  PHE  A   20  .  ?        ?  
  21  1  1  A   45  GLU  A   21  .  ?        1  
  22  1  1  A   46  ASP  A   22  .  ?        ?  
  23  1  1  A   47  HIS  A   23  .  ?        ?  
  24  1  1  A   48  PHE  A   24  .  ?        ?  
  25  1  1  A   49  LEU  A   25  .  ?        1  
  26  1  1  A   50  SER  A   26  .  ?        ?  
  27  1  1  A   51  LEU  A   27  .  ?        ?  
  28  1  1  A   52  GLN  A   28  .  ?        ?  
  29  1  1  A   53  ARG  A   29  .  ?        ?  
  30  1  1  A   54  MET  A   30  .  ?        ?  
  31  1  1  A   55  PHE  A   31  .  ?        ?  
  32  1  1  A   56  ASN  A   32  .  ?        ?  
  33  1  1  A   57  ASN  A   33  .  ?        ?  
  34  1  1  A   58  CYS  A   34  .  ?        ?  
  35  1  1  A   59  GLU  A   35  .  ?        ?  
  36  1  1  A   60  VAL  A   36  .  ?        ?  
  37  1  1  A   61  VAL  A   37  .  ?        ?  
  38  1  1  A   62  LEU  A   38  .  ?        ?  
  39  1  1  A   63  GLY  A   39  .  ?        ?  
  40  1  1  A   64  ASN  A   40  .  ?        ?  
  41  1  1  A   65  LEU  A   41  .  ?        ?  
  42  1  1  A   66  GLU  A   42  .  ?        ?  
  43  1  1  A   67  ILE  A   43  .  ?        1  
  44  1  1  A   68  THR  A   44  .  ?        ?  
  45  1  1  A   69  TYR  A   45  .  ?        ?  
  46  1  1  A   70  VAL  A   46  .  ?        ?  
  47  1  1  A   71  GLN  A   47  .  ?        ?  
  48  1  1  A   72  ARG  A   48  .  ?        ?  
  49  1  1  A   73  ASN  A   49  .  ?        ?  
  50  1  1  A   74  TYR  A   50  .  ?        ?  
  51  1  1  A   75  ASP  A   51  .  ?        ?  
  52  1  1  A   76  LEU  A   52  .  ?        ?  
  53  1  1  A   77  SER  A   53  .  ?        ?  
  54  1  1  A   78  PHE  A   54  .  ?        ?  
  55  1  1  A   79  LEU  A   55  .  ?        ?  
  56  1  1  A   80  LYS  A   56  .  ?        ?  
  57  1  1  A   81  THR  A   57  .  ?        ?  
  58  1  1  A   82  ILE  A   58  .  ?        ?  
  59  1  1  A   83  GLN  A   59  .  ?        ?  
  60  1  1  A   84  GLU  A   60  .  ?        ?  
  61  1  1  A   85  VAL  A   61  .  ?        1  
  62  1  1  A   86  ALA  A   62  .  ?        ?  
  63  1  1  A   87  GLY  A   63  .  ?        1  
  64  1  1  A   88  TYR  A   64  .  ?        1  
  65  1  1  A   89  VAL  A   65  .  ?        ?  
  66  1  1  A   90  LEU  A   66  .  ?        ?  
  67  1  1  A   91  ILE  A   67  .  ?        ?  
  68  1  1  A   92  ALA  A   68  .  ?        ?  
  69  1  1  A   93  LEU  A   69  .  ?        ?  
  70  1  1  A   94  ASN  A   70  .  ?        2  
  71  1  1  A   95  THR  A   71  .  ?        ?  
  72  1  1  A   96  VAL  A   72  .  ?        ?  
  73  1  1  A   97  GLU  A   73  .  ?        ?  
  74  1  1  A   98  ARG  A   74  B  ?        1  
  75  1  1  A   99  ILE  A   75  .  ?        ?  
  76  1  1  A  100  PRO  A   76  .  ?        ?  
  77  1  1  A  101  LEU  A   77  .  ?        ?  
  78  1  1  A  102  GLU  A   78  .  ?        1  
  79  1  1  A  103  ASN  A   79  .  ?        ?  
  80  1  1  A  104  LEU  A   80  .  ?        ?  
  81  1  1  A  105  GLN  A   81  .  ?        ?  
  82  1  1  A  106  ILE  A   82  .  ?        ?  
  83  1  1  A  107  ILE  A   83  .  ?        ?  
  84  1  1  A  108  ARG  A   84  .  ?        ?  
  85  1  1  A  109  GLY  A   85  .  ?        ?  
  86  1  1  A  110  ASN  A   86  .  ?        ?  
  87  1  1  A  111  MET  A   87  .  ?        ?  
  88  1  1  A  112  TYR  A   88  .  ?        ?  
  89  1  1  A  113  TYR  A   89  .  ?        ?  
  90  1  1  A  114  GLU  A   90  .  ?        ?  
  91  1  1  A  115  ASN  A   91  .  ?        ?  
  92  1  1  A  116  SER  A   92  .  ?        ?  
  93  1  1  A  117  TYR  A   93  .  ?        ?  
  94  1  1  A  118  ALA  A   94  .  ?        ?  
  95  1  1  A  119  LEU  A   95  .  ?        ?  
  96  1  1  A  120  ALA  A   96  .  ?        ?  
  97  1  1  A  121  VAL  A   97  .  ?        ?  
  98  1  1  A  122  LEU  A   98  .  ?        ?  
  99  1  1  A  123  SER  A   99  .  ?        ?  
 100  1  1  A  124  ASN  A  100  .  ?        1  
 101  1  1  A  125  TYR  A  101  .  ?        1  
 102  1  1  A  126  ASP  A  102  .  ?        ?  
 103  1  1  A  127  ALA  A  103  .  ?        ?  
 104  1  1  A  128  ASN  A  104  .  ?        ?  
 105  1  1  A  129  LYS  A  105  .  ?        ?  
 106  1  1  A  130  THR  A  106  .  ?        ?  
 107  1  1  A  131  GLY  A  107  .  ?        ?  
 108  1  1  A  132  LEU  A  108  .  ?        ?  
 109  1  1  A  133  LYS  A  109  .  ?        ?  
 110  1  1  A  134  GLU  A  110  .  ?        ?  
 111  1  1  A  135  LEU  A  111  .  ?        ?  
 112  1  1  A  136  PRO  A  112  .  ?        ?  
 113  1  1  A  137  MET  A  113  .  ?        ?  
 114  1  1  A  138  ARG  A  114  .  ?        1  
 115  1  1  A  139  ASN  A  115  .  ?        ?  
 116  1  1  A  140  LEU  A  116  .  ?        ?  
 117  1  1  A  141  GLN  A  117  .  ?        ?  
 118  1  1  A  142  GLU  A  118  .  ?        1  
 119  1  1  A  143  ILE  A  119  .  ?        ?  
 120  1  1  A  144  LEU  A  120  .  ?        ?  
 121  1  1  A  145  HIS  A  121  .  ?        ?  
 122  1  1  A  146  GLY  A  122  .  ?        ?  
 123  1  1  A  147  ALA  A  123  .  ?        ?  
 124  1  1  A  148  VAL  A  124  .  ?        ?  
 125  1  1  A  149  ARG  A  125  .  ?        ?  
 126  1  1  A  150  PHE  A  126  .  ?        ?  
 127  1  1  A  151  SER  A  127  .  ?        ?  
 128  1  1  A  152  ASN  A  128  .  ?        ?  
 129  1  1  A  153  ASN  A  129  .  ?        ?  
 130  1  1  A  154  PRO  A  130  .  ?        1  
 131  1  1  A  155  ALA  A  131  .  ?        ?  
 132  1  1  A  156  LEU  A  132  .  ?        1  
 133  1  1  A  157  CYS  A  133  .  ?        ?  
 134  1  1  A  158  ASN  A  134  .  ?        ?  
 135  1  1  A  159  VAL  A  135  .  ?        ?  
 136  1  1  A  160  GLU  A  136  .  ?        ?  
 137  1  1  A  161  SER  A  137  .  ?        ?  
 138  1  1  A  162  ILE  A  138  .  ?        ?  
 139  1  1  A  163  GLN  A  139  .  ?        ?  
 140  1  1  A  164  TRP  A  140  .  ?        ?  
 141  1  1  A  165  ARG  A  141  .  ?        1  
 142  1  1  A  166  ASP  A  142  .  ?        ?  
 143  1  1  A  167  ILE  A  143  .  ?        ?  
 144  1  1  A  168  VAL  A  144  .  ?        ?  
 145  1  1  A  169  SER  A  145  .  ?        ?  
 146  1  1  A  170  SER  A  146  .  ?        ?  
 147  1  1  A  171  ASP  A  147  .  ?        ?  
 148  1  1  A  172  PHE  A  148  .  ?        ?  
 149  1  1  A  173  LEU  A  149  .  ?        1  
 150  1  1  A  174  SER  A  150  .  ?        ?  
 151  1  1  A  175  ASN  A  151  .  ?        ?  
 152  1  1  A  176  MET  A  152  .  ?        ?  
 153  1  1  A  177  SER  A  153  .  ?        ?  
 154  1  1  A  178  MET  A  154  .  ?        ?  
 155  1  1  A  179  ASP  A  155  .  ?        ?  
 156  1  1  A  180  PHE  A  156  .  ?        ?  
 157  1  1  A  181  GLN  A  157  .  ?        ?  
 158  1  1  A  182  ASN  A  158  .  ?        1  
 159  1  1  A  183  HIS  A  159  .  ?        ?  
 160  1  1  A  184  LEU  A  160  .  ?        ?  
 161  1  1  A  185  GLY  A  161  .  ?        ?  
 162  1  1  A  186  SER  A  162  .  ?        2  
 163  1  1  A  187  CYS  A  163  .  ?        ?  
 164  1  1  A  188  GLN  A  164  .  ?        ?  
 165  1  1  A  189  LYS  A  165  .  ?        ?  
 166  1  1  A  190  CYS  A  166  .  ?        ?  
 167  1  1  A  191  ASP  A  167  .  ?        ?  
 168  1  1  A  192  PRO  A  168  .  ?        ?  
 169  1  1  A  193  SER  A  169  .  ?        ?  
 170  1  1  A  194  CYS  A  170  .  ?        ?  
 171  1  1  A  195  PRO  A  171  .  ?        ?  
 172  1  1  A  196  ASN  A  172  .  ?        ?  
 173  1  1  A  197  GLY  A  173  .  ?        ?  
 174  1  1  A  198  SER  A  174  .  ?        ?  
 175  1  1  A  199  CYS  A  175  .  ?        ?  
 176  1  1  A  200  TRP  A  176  .  ?        1  
 177  1  1  A  201  GLY  A  177  .  ?        ?  
 178  1  1  A  202  ALA  A  178  .  ?        ?  
 179  1  1  A  203  GLY  A  179  .  ?        ?  
 180  1  1  A  204  GLU  A  180  .  ?        ?  
 181  1  1  A  205  GLU  A  181  .  ?        ?  
 182  1  1  A  206  ASN  A  182  .  ?        ?  
 183  1  1  A  207  CYS  A  183  .  ?        ?  
 184  1  1  A  208  GLN  A  184  .  ?        ?  
 185  1  1  A  209  LYS  A  185  .  ?        ?  
 186  1  1  A  210  LEU  A  186  .  ?        ?  
 187  1  1  A  211  THR  A  187  .  ?        1  
 188  1  1  A  212  LYS  A  188  .  ?        ?  
 189  1  1  A  213  ILE  A  189  .  ?        ?  
 190  1  1  A  214  ILE  A  190  .  ?        ?  
 191  1  1  A  215  CYS  A  191  .  ?        ?  
 192  1  1  A  216  ALA  A  192  .  ?        ?  
 193  1  1  A  217  GLN  A  193  .  ?        ?  
 194  1  1  A  218  GLN  A  194  .  ?        ?  
 195  1  1  A  219  CYS  A  195  .  ?        ?  
 196  1  1  A  220  SER  A  196  .  ?        ?  
 197  1  1  A  221  GLY  A  197  .  ?        ?  
 198  1  1  A  222  ARG  A  198  .  ?        2  
 199  1  1  A  223  CYS  A  199  .  ?        ?  
 200  1  1  A  224  ARG  A  200  .  ?        ?  
 201  1  1  A  225  GLY  A  201  .  ?        ?  
 202  1  1  A  226  LYS  A  202  .  ?        ?  
 203  1  1  A  227  SER  A  203  .  ?        1  
 204  1  1  A  228  PRO  A  204  .  ?        1  
 205  1  1  A  229  SER  A  205  .  ?        1  
 206  1  1  A  230  ASP  A  206  .  ?        1  
 207  1  1  A  231  CYS  A  207  .  ?        ?  
 208  1  1  A  232  CYS  A  208  .  ?        ?  
 209  1  1  A  233  HIS  A  209  .  ?        ?  
 210  1  1  A  234  ASN  A  210  .  ?        ?  
 211  1  1  A  235  GLN  A  211  .  ?        ?  
 212  1  1  A  236  CYS  A  212  .  ?        ?  
 213  1  1  A  237  ALA  A  213  .  ?        ?  
 214  1  1  A  238  ALA  A  214  .  ?        ?  
 215  1  1  A  239  GLY  A  215  .  ?        ?  
 216  1  1  A  240  CYS  A  216  .  ?        ?  
 217  1  1  A  241  THR  A  217  .  ?        ?  
 218  1  1  A  242  GLY  A  218  .  ?        ?  
 219  1  1  A  243  PRO  A  219  .  ?        ?  
 220  1  1  A  244  ARG  A  220  .  ?        1  
 221  1  1  A  245  GLU  A  221  .  ?        ?  
 222  1  1  A  246  SER  A  222  .  ?        ?  
 223  1  1  A  247  ASP  A  223  .  ?        ?  
 224  1  1  A  248  CYS  A  224  .  ?        ?  
 225  1  1  A  249  LEU  A  225  .  ?        ?  
 226  1  1  A  250  VAL  A  226  .  ?        ?  
 227  1  1  A  251  CYS  A  227  .  ?        ?  
 228  1  1  A  252  ARG  A  228  .  ?        ?  
 229  1  1  A  253  LYS  A  229  .  ?        ?  
 230  1  1  A  254  PHE  A  230  .  ?        ?  
 231  1  1  A  255  ARG  A  231  .  ?        ?  
 232  1  1  A  256  ASN  A  232  .  ?        ?  
 233  1  1  A  257  GLU  A  233  .  ?        ?  
 234  1  1  A  258  ALA  A  234  .  ?        ?  
 235  1  1  A  259  THR  A  235  .  ?        ?  
 236  1  1  A  260  CYS  A  236  .  ?        ?  
 237  1  1  A  261  LYS  A  237  .  ?        ?  
 238  1  1  A  262  ASP  A  238  .  ?        ?  
 239  1  1  A  263  THR  A  239  .  ?        ?  
 240  1  1  A  264  CYS  A  240  .  ?        ?  
 241  1  1  A  265  PRO  A  241  .  ?        1  
 242  1  1  A  266  PRO  A  242  .  ?        1  
 243  1  1  A  267  LEU  A  243  .  ?        ?  
 244  1  1  A  268  MET  A  244  .  ?        ?  
 245  1  1  A  269  LEU  A  245  .  ?        ?  
 246  1  1  A  270  TYR  A  246  .  ?        ?  
 247  1  1  A  271  ASN  A  247  .  ?        ?  
 248  1  1  A  272  PRO  A  248  .  ?        ?  
 249  1  1  A  273  THR  A  249  .  ?        ?  
 250  1  1  A  274  THR  A  250  .  ?        ?  
 251  1  1  A  275  TYR  A  251  .  ?        ?  
 252  1  1  A  276  GLN  A  252  .  ?        ?  
 253  1  1  A  277  MET  A  253  .  ?        ?  
 254  1  1  A  278  ASP  A  254  .  ?        ?  
 255  1  1  A  279  VAL  A  255  .  ?        ?  
 256  1  1  A  280  ASN  A  256  .  ?        ?  
 257  1  1  A  281  PRO  A  257  .  ?        ?  
 258  1  1  A  282  GLU  A  258  .  ?        ?  
 259  1  1  A  283  GLY  A  259  .  ?        ?  
 260  1  1  A  284  LYS  A  260  .  ?        1  
 261  1  1  A  285  TYR  A  261  .  ?        ?  
 262  1  1  A  286  SER  A  262  .  ?        ?  
 263  1  1  A  287  PHE  A  263  .  ?        ?  
 264  1  1  A  288  GLY  A  264  .  ?        ?  
 265  1  1  A  289  ALA  A  265  .  ?        ?  
 266  1  1  A  290  THR  A  266  .  ?        ?  
 267  1  1  A  291  CYS  A  267  .  ?        ?  
 268  1  1  A  292  VAL  A  268  .  ?        ?  
 269  1  1  A  293  LYS  A  269  .  ?        1  
 270  1  1  A  294  LYS  A  270  .  ?        ?  
 271  1  1  A  295  CYS  A  271  .  ?        ?  
 272  1  1  A  296  PRO  A  272  .  ?        ?  
 273  1  1  A  297  ARG  A  273  .  ?        ?  
 274  1  1  A  298  ASN  A  274  .  ?        ?  
 275  1  1  A  299  TYR  A  275  .  ?        ?  
 276  1  1  A  300  VAL  A  276  .  ?        ?  
 277  1  1  A  301  VAL  A  277  .  ?        ?  
 278  1  1  A  302  THR  A  278  .  ?        ?  
 279  1  1  A  303  ASP  A  279  .  ?        ?  
 280  1  1  A  304  HIS  A  280  .  ?        ?  
 281  1  1  A  305  GLY  A  281  .  ?        ?  
 282  1  1  A  306  SER  A  282  .  ?        ?  
 283  1  1  A  307  CYS  A  283  .  ?        ?  
 284  1  1  A  308  VAL  A  284  .  ?        ?  
 285  1  1  A  309  ARG  A  285  .  ?        1  
 286  1  1  A  310  ALA  A  286  .  ?        ?  
 287  1  1  A  311  CYS  A  287  .  ?        ?  
 288  1  1  A  312  GLY  A  288  .  ?        ?  
 289  1  1  A  313  ALA  A  289  .  ?        ?  
 290  1  1  A  314  ASP  A  290  .  ?        ?  
 291  1  1  A  315  SER  A  291  .  ?        1  
 292  1  1  A  316  TYR  A  292  .  ?        ?  
 293  1  1  A  317  GLU  A  293  .  ?        ?  
 294  1  1  A  318  MET  A  294  .  ?        ?  
 295  1  1  A  319  GLU  A  295  .  ?        1  
 296  1  1  A  320  GLU  A  296  .  ?        ?  
 297  1  1  A  321  ASP  A  297  .  ?        ?  
 298  1  1  A  322  GLY  A  298  .  ?        1  
 299  1  1  A  323  VAL  A  299  .  ?        ?  
 300  1  1  A  324  ARG  A  300  .  ?        ?  
 301  1  1  A  325  LYS  A  301  .  ?        ?  
 302  1  1  A  326  CYS  A  302  .  ?        ?  
 303  1  1  A  327  LYS  A  303  .  ?        1  
 304  1  1  A  328  LYS  A  304  .  ?        ?  
 305  1  1  A  329  CYS  A  305  .  ?        ?  
 306  1  1  A  330  GLU  A  306  .  ?        ?  
 307  1  1  A  331  GLY  A  307  .  ?        ?  
 308  1  1  A  332  PRO  A  308  .  ?        ?  
 309  1  1  A  333  CYS  A  309  .  ?        ?  
 310  1  1  A  334  ARG  A  310  .  ?        ?  
 311  1  1  A  335  LYS  A  311  .  ?        ?  
 312  1  1  A  336  VAL  A  312  .  ?        ?  
 313  1  1  A  337  CYS  A  313  .  ?        ?  
 314  1  1  A  338  ASN  A  314  .  ?        ?  
 315  1  1  A  339  GLY  A  315  .  ?        ?  
 316  1  1  A  340  ILE  A  316  .  ?        ?  
 317  1  1  A  341  GLY  A  317  .  ?        ?  
 318  1  1  A  342  ILE  A  318  .  ?        ?  
 319  1  1  A  343  GLY  A  319  .  ?        ?  
 320  1  1  A  344  GLU  A  320  .  ?        ?  
 321  1  1  A  345  PHE  A  321  .  ?        ?  
 322  1  1  A  346  LYS  A  322  .  ?        ?  
 323  1  1  A  347  ASP  A  323  .  ?        ?  
 324  1  1  A  348  SER  A  324  .  ?        ?  
 325  1  1  A  349  LEU  A  325  .  ?        ?  
 326  1  1  A  350  SER  A  326  .  ?        1  
 327  1  1  A  351  ILE  A  327  .  ?        2  
 328  1  1  A  352  ASN  A  328  .  ?        ?  
 329  1  1  A  353  ALA  A  329  .  ?        ?  
 330  1  1  A  354  THR  A  330  .  ?        ?  
 331  1  1  A  355  ASN  A  331  .  ?        ?  
 332  1  1  A  356  ILE  A  332  .  ?        ?  
 333  1  1  A  357  LYS  A  333  .  ?        ?  
 334  1  1  A  358  HIS  A  334  .  ?        ?  
 335  1  1  A  359  PHE  A  335  .  ?        ?  
 336  1  1  A  360  LYS  A  336  .  ?        ?  
 337  1  1  A  361  ASN  A  337  .  ?        ?  
 338  1  1  A  362  CYS  A  338  .  ?        ?  
 339  1  1  A  363  THR  A  339  .  ?        ?  
 340  1  1  A  364  SER  A  340  .  ?        ?  
 341  1  1  A  365  ILE  A  341  .  ?        ?  
 342  1  1  A  366  SER  A  342  .  ?        2  
 343  1  1  A  367  GLY  A  343  .  ?        1  
 344  1  1  A  368  ASP  A  344  .  ?        2  
 345  1  1  A  369  LEU  A  345  .  ?        1  
 346  1  1  A  370  HIS  A  346  .  ?        ?  
 347  1  1  A  371  ILE  A  347  .  ?        ?  
 348  1  1  A  372  LEU  A  348  .  ?        ?  
 349  1  1  A  373  PRO  A  349  .  ?        ?  
 350  1  1  A  374  VAL  A  350  .  ?        ?  
 351  1  1  A  375  ALA  A  351  .  ?        ?  
 352  1  1  A  376  PHE  A  352  .  ?        ?  
 353  1  1  A  377  ARG  A  353  .  ?        ?  
 354  1  1  A  378  GLY  A  354  .  ?        ?  
 355  1  1  A  379  ASP  A  355  .  ?        1  
 356  1  1  A  380  SER  A  356  .  ?        ?  
 357  1  1  A  381  PHE  A  357  .  ?        1  
 358  1  1  A  382  THR  A  358  .  ?        2  
 359  1  1  A  383  HIS  A  359  .  ?        ?  
 360  1  1  A  384  THR  A  360  .  ?        ?  
 361  1  1  A  385  PRO  A  361  .  ?        ?  
 362  1  1  A  386  PRO  A  362  .  ?        ?  
 363  1  1  A  387  LEU  A  363  .  ?        ?  
 364  1  1  A  388  ASP  A  364  .  ?        ?  
 365  1  1  A  389  PRO  A  365  .  ?        ?  
 366  1  1  A  390  GLN  A  366  .  ?        ?  
 367  1  1  A  391  GLU  A  367  .  ?        ?  
 368  1  1  A  392  LEU  A  368  .  ?        ?  
 369  1  1  A  393  ASP  A  369  .  ?        ?  
 370  1  1  A  394  ILE  A  370  .  ?        ?  
 371  1  1  A  395  LEU  A  371  .  ?        ?  
 372  1  1  A  396  LYS  A  372  .  ?        ?  
 373  1  1  A  397  THR  A  373  .  ?        ?  
 374  1  1  A  398  VAL  A  374  .  ?        ?  
 375  1  1  A  399  LYS  A  375  .  ?        ?  
 376  1  1  A  400  GLU  A  376  .  ?        ?  
 377  1  1  A  401  ILE  A  377  .  ?        ?  
 378  1  1  A  402  THR  A  378  .  ?        1  
 379  1  1  A  403  GLY  A  379  .  ?        1  
 380  1  1  A  404  PHE  A  380  .  ?        ?  
 381  1  1  A  405  LEU  A  381  .  ?        ?  
 382  1  1  A  406  LEU  A  382  .  ?        ?  
 383  1  1  A  407  ILE  A  383  .  ?        ?  
 384  1  1  A  408  GLN  A  384  .  ?        ?  
 385  1  1  A  409  ALA  A  385  .  ?        ?  
 386  1  1  A  410  TRP  A  386  .  ?        ?  
 387  1  1  A  411  PRO  A  387  .  ?        ?  
 388  1  1  A  412  GLU  A  388  .  ?        ?  
 389  1  1  A  413  ASN  A  389  .  ?        ?  
 390  1  1  A  414  ARG  A  390  .  ?        ?  
 391  1  1  A  415  THR  A  391  .  ?        ?  
 392  1  1  A  416  ASP  A  392  .  ?        ?  
 393  1  1  A  417  LEU  A  393  .  ?        ?  
 394  1  1  A  418  HIS  A  394  .  ?        ?  
 395  1  1  A  419  ALA  A  395  .  ?        ?  
 396  1  1  A  420  PHE  A  396  .  ?        ?  
 397  1  1  A  421  GLU  A  397  .  ?        1  
 398  1  1  A  422  ASN  A  398  .  ?        ?  
 399  1  1  A  423  LEU  A  399  .  ?        ?  
 400  1  1  A  424  GLU  A  400  .  ?        ?  
 401  1  1  A  425  ILE  A  401  .  ?        1  
 402  1  1  A  426  ILE  A  402  .  ?        ?  
 403  1  1  A  427  ARG  A  403  .  ?        1  
 404  1  1  A  428  GLY  A  404  .  ?        ?  
 405  1  1  A  429  ARG  A  405  .  ?        1  
 406  1  1  A  430  THR  A  406  .  ?        ?  
 407  1  1  A  431  LYS  A  407  .  ?        ?  
 408  1  1  A  432  GLN  A  408  .  ?        ?  
 409  1  1  A  433  HIS  A  409  .  ?        ?  
 410  1  1  A  434  GLY  A  410  .  ?        ?  
 411  1  1  A  435  GLN  A  411  .  ?        ?  
 412  1  1  A  436  PHE  A  412  .  ?        ?  
 413  1  1  A  437  SER  A  413  .  ?        ?  
 414  1  1  A  438  LEU  A  414  .  ?        1  
 415  1  1  A  439  ALA  A  415  .  ?        ?  
 416  1  1  A  440  VAL  A  416  .  ?        ?  
 417  1  1  A  441  VAL  A  417  .  ?        ?  
 418  1  1  A  442  SER  A  418  .  ?        ?  
 419  1  1  A  443  LEU  A  419  .  ?        ?  
 420  1  1  A  444  ASN  A  420  .  ?        ?  
 421  1  1  A  445  ILE  A  421  .  ?        ?  
 422  1  1  A  446  THR  A  422  .  ?        ?  
 423  1  1  A  447  SER  A  423  .  ?        ?  
 424  1  1  A  448  LEU  A  424  .  ?        1  
 425  1  1  A  449  GLY  A  425  .  ?        ?  
 426  1  1  A  450  LEU  A  426  .  ?        ?  
 427  1  1  A  451  ARG  A  427  .  ?        3  
 428  1  1  A  452  SER  A  428  .  ?        ?  
 429  1  1  A  453  LEU  A  429  .  ?        ?  
 430  1  1  A  454  LYS  A  430  .  ?        ?  
 431  1  1  A  455  GLU  A  431  .  ?        1  
 432  1  1  A  456  ILE  A  432  .  ?        ?  
 433  1  1  A  457  SER  A  433  .  ?        ?  
 434  1  1  A  458  ASP  A  434  .  ?        ?  
 435  1  1  A  459  GLY  A  435  .  ?        ?  
 436  1  1  A  460  ASP  A  436  .  ?        ?  
 437  1  1  A  461  VAL  A  437  .  ?        1  
 438  1  1  A  462  ILE  A  438  .  ?        ?  
 439  1  1  A  463  ILE  A  439  .  ?        1  
 440  1  1  A  464  SER  A  440  .  ?        ?  
 441  1  1  A  465  GLY  A  441  .  ?        ?  
 442  1  1  A  466  ASN  A  442  .  ?        ?  
 443  1  1  A  467  LYS  A  443  .  ?        ?  
 444  1  1  A  468  ASN  A  444  .  ?        1  
 445  1  1  A  469  LEU  A  445  .  ?        ?  
 446  1  1  A  470  CYS  A  446  .  ?        ?  
 447  1  1  A  471  TYR  A  447  .  ?        ?  
 448  1  1  A  472  ALA  A  448  .  ?        ?  
 449  1  1  A  473  ASN  A  449  .  ?        ?  
 450  1  1  A  474  THR  A  450  .  ?        ?  
 451  1  1  A  475  ILE  A  451  .  ?        1  
 452  1  1  A  476  ASN  A  452  .  ?        1  
 453  1  1  A  477  TRP  A  453  .  ?        ?  
 454  1  1  A  478  LYS  A  454  .  ?        ?  
 455  1  1  A  479  LYS  A  455  .  ?        1  
 456  1  1  A  480  LEU  A  456  .  ?        ?  
 457  1  1  A  481  PHE  A  457  .  ?        ?  
 458  1  1  A  482  GLY  A  458  .  ?        ?  
 459  1  1  A  483  THR  A  459  .  ?        1  
 460  1  1  A  484  SER  A  460  .  ?        ?  
 461  1  1  A  485  GLY  A  461  .  ?        ?  
 462  1  1  A  486  GLN  A  462  .  ?        1  
 463  1  1  A  487  LYS  A  463  .  ?        ?  
 464  1  1  A  488  THR  A  464  .  ?        ?  
 465  1  1  A  489  LYS  A  465  .  ?        ?  
 466  1  1  A  490  ILE  A  466  .  ?        ?  
 467  1  1  A  491  ILE  A  467  .  ?        1  
 468  1  1  A  492  SER  A  468  .  ?        ?  
 469  1  1  A  493  ASN  A  469  .  ?        ?  
 470  1  1  A  494  ARG  A  470  .  ?        1  
 471  1  1  A  495  GLY  A  471  .  ?        ?  
 472  1  1  A  496  GLU  A  472  .  ?        ?  
 473  1  1  A  497  ASN  A  473  .  ?        ?  
 474  1  1  A  498  SER  A  474  .  ?        ?  
 475  1  1  A  499  CYS  A  475  .  ?        ?  
 476  1  1  A  500  LYS  A  476  .  ?        ?  
 477  1  1  A  501  ALA  A  477  .  ?        ?  
 478  1  1  A  502  THR  A  478  .  ?        ?  
 479  1  1  A  503  GLY  A  479  .  ?        ?  
 480  1  1  A  504  GLN  A  480  .  ?        ?  
 481  1  1  A  505  VAL  A  481  .  ?        ?  
 482  1  1  A  506  CYS  A  482  .  ?        ?  
 483  1  1  A  507  HIS  A  483  .  ?        ?  
 484  1  1  A  508  ALA  A  484  .  ?        ?  
 485  1  1  A  509  LEU  A  485  .  ?        ?  
 486  1  1  A  510  CYS  A  486  .  ?        ?  
 487  1  1  A  511  SER  A  487  .  ?        1  
 488  1  1  A  512  PRO  A  488  .  ?        ?  
 489  1  1  A  513  GLU  A  489  .  ?        ?  
 490  1  1  A  514  GLY  A  490  .  ?        ?  
 491  1  1  A  515  CYS  A  491  .  ?        2  
 492  1  1  A  516  TRP  A  492  .  ?        1  
 493  1  1  A  517  GLY  A  493  .  ?        ?  
 494  1  1  A  518  PRO  A  494  .  ?        ?  
 495  1  1  A  519  GLU  A  495  .  ?        1  
 496  1  1  A  520  PRO  A  496  .  ?        ?  
 497  1  1  A  521  ARG  A  497  .  ?        1  
 498  1  1  A  522  ASP  A  498  .  ?        1  
 499  1  1  A  523  CYS  A  499  .  ?        1  
 500  1  1  A  524  VAL  A  500  .  ?        ?  
 501  1  1  A  525  SER  A  501  .  ?        1  
 502  1  1  A  526  CYS  A  502  .  ?        ?  
 503  1  1  A  527  ARG  A  503  .  ?        ?  
 504  1  1  A  528  ASN  A  504  .  ?        ?  
 505  1  1  A  529  VAL  A  505  .  ?        ?  
 506  1  1  A  530  SER  A  506  .  ?        ?  
 507  1  1  A  531  ARG  A  507  .  ?        1  
 508  1  1  A  532  GLY  A  508  .  ?        ?  
 509  1  1  A  533  ARG  A  509  .  ?        ?  
 510  1  1  A  534  GLU  A  510  .  ?        ?  
 511  1  1  A  535  CYS  A  511  .  ?        ?  
 512  1  1  A  536  VAL  A  512  .  ?        ?  
 513  1  1  A  537  ASP  A  513  .  ?        ?  
 514  1  1  A  538  LYS  A  514  .  ?        ?  
 515  1  1  A  539  CYS  A  515  .  ?        ?  
 516  1  1  A  540  ASN  A  516  .  ?        ?  
 517  1  1  A  541  LEU  A  517  .  ?        ?  
 518  1  1  A  542  LEU  A  518  .  ?        ?  
 519  1  1  A  543  GLU  A  519  .  ?        ?  
 520  1  1  A  544  GLY  A  520  .  ?        ?  
 521  1  1  A  545  GLU  A  521  .  ?        1  
 522  1  1  A  546  PRO  A  522  .  ?        1  
 523  1  1  A  547  ARG  A  523  .  ?        1  
 524  1  1  A  548  GLU  A  524  .  ?        1  
 525  1  1  A  549  PHE  A  525  .  ?        1  
 526  1  1  A  550  VAL  A  526  .  ?        ?  
 527  1  1  A  551  GLU  A  527  .  ?        ?  
 528  1  1  A  552  ASN  A  528  .  ?        ?  
 529  1  1  A  553  SER  A  529  .  ?        ?  
 530  1  1  A  554  GLU  A  530  .  ?        ?  
 531  1  1  A  555  CYS  A  531  .  ?        ?  
 532  1  1  A  556  ILE  A  532  .  ?        ?  
 533  1  1  A  557  GLN  A  533  .  ?        ?  
 534  1  1  A  558  CYS  A  534  .  ?        ?  
 535  1  1  A  559  HIS  A  535  .  ?        ?  
 536  1  1  A  560  PRO  A  536  .  ?        ?  
 537  1  1  A  561  GLU  A  537  .  ?        ?  
 538  1  1  A  562  CYS  A  538  .  ?        ?  
 539  1  1  A  563  LEU  A  539  .  ?        1  
 540  1  1  A  564  PRO  A  540  .  ?        2  
 541  1  1  A  565  GLN  A  541  .  ?        ?  
 542  1  1  A  566  ALA  A  542  .  ?        ?  
 543  1  1  A  567  MET  A  543  .  ?        ?  
 544  1  1  A  568  ASN  A  544  .  ?        ?  
 545  1  1  A  569  ILE  A  545  .  ?        ?  
 546  1  1  A  570  THR  A  546  .  ?        ?  
 547  1  1  A  571  CYS  A  547  .  ?        ?  
 548  1  1  A  572  THR  A  548  .  ?        ?  
 549  1  1  A  573  GLY  A  549  .  ?        ?  
 550  1  1  A  574  ARG  A  550  .  ?        1  
 551  1  1  A  575  GLY  A  551  .  ?        ?  
 552  1  1  A  576  PRO  A  552  .  ?        ?  
 553  1  1  A  577  ASP  A  553  .  ?        ?  
 554  1  1  A  578  ASN  A  554  .  ?        ?  
 555  1  1  A  579  CYS  A  555  .  ?        ?  
 556  1  1  A  580  ILE  A  556  .  ?        ?  
 557  1  1  A  581  GLN  A  557  .  ?        ?  
 558  1  1  A  582  CYS  A  558  .  ?        ?  
 559  1  1  A  583  ALA  A  559  .  ?        ?  
 560  1  1  A  584  HIS  A  560  .  ?        1  
 561  1  1  A  585  TYR  A  561  .  ?        ?  
 562  1  1  A  586  ILE  A  562  .  ?        ?  
 563  1  1  A  587  ASP  A  563  .  ?        ?  
 564  1  1  A  588  GLY  A  564  .  ?        1  
 565  1  1  A  589  PRO  A  565  .  ?        ?  
 566  1  1  A  590  HIS  A  566  .  ?        ?  
 567  1  1  A  591  CYS  A  567  .  ?        ?  
 568  1  1  A  592  VAL  A  568  .  ?        1  
 569  1  1  A  593  LYS  A  569  .  ?        1  
 570  1  1  A  594  THR  A  570  .  ?        1  
 571  1  1  A  595  CYS  A  571  .  ?        1  
 572  1  1  A  596  PRO  A  572  .  ?        ?  
 573  1  1  A  597  ALA  A  573  .  ?        ?  
 574  1  1  A  598  GLY  A  574  .  ?        ?  
 575  1  1  A  599  VAL  A  575  .  ?        ?  
 576  1  1  A  600  MET  A  576  .  ?        ?  
 577  1  1  A  601  GLY  A  577  .  ?        ?  
 578  1  1  A  602  GLU  A  578  .  ?        ?  
 579  1  1  A  603  ASN  A  579  .  ?        ?  
 580  1  1  A  604  ASN  A  580  .  ?        ?  
 581  1  1  A  605  THR  A  581  .  ?        ?  
 582  1  1  A  606  LEU  A  582  .  ?        ?  
 583  1  1  A  607  VAL  A  583  .  ?        ?  
 584  1  1  A  608  TRP  A  584  .  ?        ?  
 585  1  1  A  609  LYS  A  585  .  ?        2  
 586  1  1  A  610  TYR  A  586  .  ?        ?  
 587  1  1  A  611  ALA  A  587  .  ?        ?  
 588  1  1  A  612  ASP  A  588  .  ?        ?  
 589  1  1  A  613  ALA  A  589  .  ?        ?  
 590  1  1  A  614  GLY  A  590  .  ?        ?  
 591  1  1  A  615  HIS  A  591  .  ?        ?  
 592  1  1  A  616  VAL  A  592  .  ?        1  
 593  1  1  A  617  CYS  A  593  .  ?        1  
 594  1  1  A  618  HIS  A  594  .  ?        ?  
 595  1  1  A  619  LEU  A  595  .  ?        ?  
 596  1  1  A  620  CYS  A  596  .  ?        ?  
 597  1  1  A  621  HIS  A  597  .  ?        1  
 598  1  1  A  622  PRO  A  598  .  ?        ?  
 599  1  1  A  623  ASN  A  599  .  ?        2  
 600  1  1  A  624  CYS  A  600  .  ?        ?  
 601  1  1  A  625  THR  A  601  .  ?        ?  
 602  1  1  A  626  TYR  A  602  .  ?        ?  
 603  1  1  A  627  GLY  A  603  .  ?        ?  
 604  1  1  A  628  CYS  A  604  .  ?        ?  
 605  1  1  A  629  THR  A  605  .  ?        1  
 606  1  1  A  630  GLY  A  606  .  ?        ?  
 607  1  1  A  631  PRO  A  607  .  ?        ?  
 608  1  1  A  632  GLY  A  608  .  ?        ?  
 609  1  1  A  633  LEU  A  609  .  ?        1  
 610  1  1  A  634  GLU  A  610  .  ?        ?  
 611  1  1  A  635  GLY  A  611  .  ?        1  
 612  1  1  A  636  CYS  A  612  .  ?        ?  
 613  1  1  A  637  PRO  A  613  .  ?        ?  
 614  1  1  A  638  THR  A  614  .  ?        ?  
 615  1  2  B    5  GLU  C    5  .  ?        ?  
 616  1  2  B    6  CYS  C    6  .  ?        ?  
 617  1  2  B    7  PRO  C    7  .  ?        ?  
 618  1  2  B    8  LEU  C    8  .  ?        ?  
 619  1  2  B    9  SER  C    9  .  ?        ?  
 620  1  2  B   10  HIS  C   10  .  ?        ?  
 621  1  2  B   11  ASP  C   11  .  ?        ?  
 622  1  2  B   12  GLY  C   12  .  ?        ?  
 623  1  2  B   13  TYR  C   13  .  ?        ?  
 624  1  2  B   14  CYS  C   14  .  ?        ?  
 625  1  2  B   15  LEU  C   15  .  ?        ?  
 626  1  2  B   16  HIS  C   16  .  ?        ?  
 627  1  2  B   17  ASP  C   17  .  ?        ?  
 628  1  2  B   18  GLY  C   18  .  ?        ?  
 629  1  2  B   19  VAL  C   19  .  ?        ?  
 630  1  2  B   20  CYS  C   20  .  ?        ?  
 631  1  2  B   21  MET  C   21  .  ?        ?  
 632  1  2  B   22  TYR  C   22  .  ?        ?  
 633  1  2  B   23  ILE  C   23  .  ?        ?  
 634  1  2  B   24  GLU  C   24  .  ?        ?  
 635  1  2  B   25  ALA  C   25  .  ?        ?  
 636  1  2  B   26  LEU  C   26  .  ?        ?  
 637  1  2  B   27  ASP  C   27  .  ?        ?  
 638  1  2  B   28  LYS  C   28  .  ?        ?  
 639  1  2  B   29  TYR  C   29  .  ?        ?  
 640  1  2  B   30  ALA  C   30  .  ?        ?  
 641  1  2  B   31  CYS  C   31  .  ?        ?  
 642  1  2  B   32  ASN  C   32  .  ?        ?  
 643  1  2  B   33  CYS  C   33  .  ?        ?  
 644  1  2  B   34  VAL  C   34  .  ?        ?  
 645  1  2  B   35  VAL  C   35  .  ?        ?  
 646  1  2  B   36  GLY  C   36  .  ?        ?  
 647  1  2  B   37  TYR  C   37  .  ?        ?  
 648  1  2  B   38  ILE  C   38  .  ?        ?  
 649  1  2  B   39  GLY  C   39  .  ?        ?  
 650  1  2  B   40  GLU  C   40  .  ?        ?  
 651  1  2  B   41  ARG  C   41  .  ?        ?  
 652  1  2  B   42  CYS  C   42  .  ?        ?  
 653  1  2  B   43  GLN  C   43  .  ?        1  
 654  1  2  B   44  TYR  C   44  .  ?        1  
 655  1  2  B   45  ARG  C   45  .  ?        ?  
 656  1  2  B   46  ASP  C   46  .  ?        ?  
 657  1  2  B   47  LEU  C   47  .  ?        ?  
 658  1  2  B   48  LYS  C   48  .  ?        ?  
 659  1  2  B   49  TRP  C   49  .  ?        ?  
 660  1  2  B   50  TRP  C   50  .  ?        ?  
 661  1  2  B   51  GLU  C   51  .  ?        1  
 662  1  1  C   25  LEU  B    1  .  ?        ?  
 663  1  1  C   26  GLU  B    2  .  ?        ?  
 664  1  1  C   27  GLU  B    3  .  ?        ?  
 665  1  1  C   28  LYS  B    4  .  ?        ?  
 666  1  1  C   29  LYS  B    5  .  ?        ?  
 667  1  1  C   30  VAL  B    6  .  ?        ?  
 668  1  1  C   31  CYS  B    7  .  ?        ?  
 669  1  1  C   32  GLN  B    8  .  ?        ?  
 670  1  1  C   33  GLY  B    9  .  ?        ?  
 671  1  1  C   34  THR  B   10  .  ?        ?  
 672  1  1  C   35  SER  B   11  .  ?        ?  
 673  1  1  C   36  ASN  B   12  .  ?        1  
 674  1  1  C   37  LYS  B   13  .  ?        ?  
 675  1  1  C   38  LEU  B   14  .  ?        2  
 676  1  1  C   39  THR  B   15  .  ?        1  
 677  1  1  C   40  GLN  B   16  .  ?        ?  
 678  1  1  C   41  LEU  B   17  .  ?        ?  
 679  1  1  C   42  GLY  B   18  .  ?        ?  
 680  1  1  C   43  THR  B   19  .  ?        ?  
 681  1  1  C   44  PHE  B   20  .  ?        ?  
 682  1  1  C   45  GLU  B   21  .  ?        ?  
 683  1  1  C   46  ASP  B   22  .  ?        ?  
 684  1  1  C   47  HIS  B   23  .  ?        ?  
 685  1  1  C   48  PHE  B   24  .  ?        ?  
 686  1  1  C   49  LEU  B   25  .  ?        ?  
 687  1  1  C   50  SER  B   26  .  ?        ?  
 688  1  1  C   51  LEU  B   27  .  ?        ?  
 689  1  1  C   52  GLN  B   28  .  ?        ?  
 690  1  1  C   53  ARG  B   29  .  ?        ?  
 691  1  1  C   54  MET  B   30  .  ?        ?  
 692  1  1  C   55  PHE  B   31  .  ?        ?  
 693  1  1  C   56  ASN  B   32  .  ?        ?  
 694  1  1  C   57  ASN  B   33  .  ?        ?  
 695  1  1  C   58  CYS  B   34  .  ?        ?  
 696  1  1  C   59  GLU  B   35  .  ?        ?  
 697  1  1  C   60  VAL  B   36  .  ?        ?  
 698  1  1  C   61  VAL  B   37  .  ?        ?  
 699  1  1  C   62  LEU  B   38  .  ?        ?  
 700  1  1  C   63  GLY  B   39  .  ?        ?  
 701  1  1  C   64  ASN  B   40  .  ?        ?  
 702  1  1  C   65  LEU  B   41  .  ?        ?  
 703  1  1  C   66  GLU  B   42  .  ?        ?  
 704  1  1  C   67  ILE  B   43  .  ?        1  
 705  1  1  C   68  THR  B   44  .  ?        ?  
 706  1  1  C   69  TYR  B   45  .  ?        ?  
 707  1  1  C   70  VAL  B   46  .  ?        ?  
 708  1  1  C   71  GLN  B   47  .  ?        ?  
 709  1  1  C   72  ARG  B   48  .  ?        ?  
 710  1  1  C   73  ASN  B   49  .  ?        ?  
 711  1  1  C   74  TYR  B   50  .  ?        ?  
 712  1  1  C   75  ASP  B   51  .  ?        1  
 713  1  1  C   76  LEU  B   52  .  ?        1  
 714  1  1  C   77  SER  B   53  .  ?        1  
 715  1  1  C   78  PHE  B   54  .  ?        ?  
 716  1  1  C   79  LEU  B   55  .  ?        ?  
 717  1  1  C   80  LYS  B   56  .  ?        ?  
 718  1  1  C   81  THR  B   57  .  ?        ?  
 719  1  1  C   82  ILE  B   58  .  ?        ?  
 720  1  1  C   83  GLN  B   59  .  ?        ?  
 721  1  1  C   84  GLU  B   60  .  ?        ?  
 722  1  1  C   85  VAL  B   61  .  ?        1  
 723  1  1  C   86  ALA  B   62  .  ?        ?  
 724  1  1  C   87  GLY  B   63  .  ?        1  
 725  1  1  C   88  TYR  B   64  .  ?        ?  
 726  1  1  C   89  VAL  B   65  .  ?        ?  
 727  1  1  C   90  LEU  B   66  .  ?        ?  
 728  1  1  C   91  ILE  B   67  .  ?        1  
 729  1  1  C   92  ALA  B   68  .  ?        ?  
 730  1  1  C   93  LEU  B   69  .  ?        ?  
 731  1  1  C   94  ASN  B   70  .  ?        2  
 732  1  1  C   95  THR  B   71  .  ?        ?  
 733  1  1  C   96  VAL  B   72  .  ?        1  
 734  1  1  C   97  GLU  B   73  .  ?        ?  
 735  1  1  C   98  ARG  B   74  B  ?        1  
 736  1  1  C   99  ILE  B   75  .  ?        1  
 737  1  1  C  100  PRO  B   76  .  ?        ?  
 738  1  1  C  101  LEU  B   77  .  ?        ?  
 739  1  1  C  102  GLU  B   78  .  ?        1  
 740  1  1  C  103  ASN  B   79  .  ?        ?  
 741  1  1  C  104  LEU  B   80  .  ?        ?  
 742  1  1  C  105  GLN  B   81  .  ?        ?  
 743  1  1  C  106  ILE  B   82  .  ?        2  
 744  1  1  C  107  ILE  B   83  .  ?        ?  
 745  1  1  C  108  ARG  B   84  .  ?        1  
 746  1  1  C  109  GLY  B   85  .  ?        ?  
 747  1  1  C  110  ASN  B   86  .  ?        ?  
 748  1  1  C  111  MET  B   87  .  ?        ?  
 749  1  1  C  112  TYR  B   88  .  ?        ?  
 750  1  1  C  113  TYR  B   89  .  ?        ?  
 751  1  1  C  114  GLU  B   90  .  ?        ?  
 752  1  1  C  115  ASN  B   91  .  ?        ?  
 753  1  1  C  116  SER  B   92  .  ?        ?  
 754  1  1  C  117  TYR  B   93  .  ?        ?  
 755  1  1  C  118  ALA  B   94  .  ?        ?  
 756  1  1  C  119  LEU  B   95  .  ?        ?  
 757  1  1  C  120  ALA  B   96  .  ?        ?  
 758  1  1  C  121  VAL  B   97  .  ?        ?  
 759  1  1  C  122  LEU  B   98  .  ?        ?  
 760  1  1  C  123  SER  B   99  .  ?        ?  
 761  1  1  C  124  ASN  B  100  .  ?        1  
 762  1  1  C  125  TYR  B  101  .  ?        ?  
 763  1  1  C  126  ASP  B  102  .  ?        1  
 764  1  1  C  127  ALA  B  103  .  ?        1  
 765  1  1  C  128  ASN  B  104  .  ?        ?  
 766  1  1  C  129  LYS  B  105  .  ?        2  
 767  1  1  C  130  THR  B  106  .  ?        ?  
 768  1  1  C  131  GLY  B  107  .  ?        ?  
 769  1  1  C  132  LEU  B  108  .  ?        ?  
 770  1  1  C  133  LYS  B  109  .  ?        ?  
 771  1  1  C  134  GLU  B  110  .  ?        ?  
 772  1  1  C  135  LEU  B  111  .  ?        ?  
 773  1  1  C  136  PRO  B  112  .  ?        ?  
 774  1  1  C  137  MET  B  113  .  ?        ?  
 775  1  1  C  138  ARG  B  114  .  ?        1  
 776  1  1  C  139  ASN  B  115  .  ?        ?  
 777  1  1  C  140  LEU  B  116  .  ?        ?  
 778  1  1  C  141  GLN  B  117  .  ?        ?  
 779  1  1  C  142  GLU  B  118  .  ?        ?  
 780  1  1  C  143  ILE  B  119  .  ?        ?  
 781  1  1  C  144  LEU  B  120  .  ?        2  
 782  1  1  C  145  HIS  B  121  .  ?        ?  
 783  1  1  C  146  GLY  B  122  .  ?        ?  
 784  1  1  C  147  ALA  B  123  .  ?        ?  
 785  1  1  C  148  VAL  B  124  .  ?        ?  
 786  1  1  C  149  ARG  B  125  .  ?        ?  
 787  1  1  C  150  PHE  B  126  .  ?        ?  
 788  1  1  C  151  SER  B  127  .  ?        ?  
 789  1  1  C  152  ASN  B  128  .  ?        ?  
 790  1  1  C  153  ASN  B  129  .  ?        ?  
 791  1  1  C  154  PRO  B  130  .  ?        ?  
 792  1  1  C  155  ALA  B  131  .  ?        ?  
 793  1  1  C  156  LEU  B  132  .  ?        ?  
 794  1  1  C  157  CYS  B  133  .  ?        ?  
 795  1  1  C  158  ASN  B  134  .  ?        ?  
 796  1  1  C  159  VAL  B  135  .  ?        ?  
 797  1  1  C  160  GLU  B  136  .  ?        ?  
 798  1  1  C  161  SER  B  137  .  ?        ?  
 799  1  1  C  162  ILE  B  138  .  ?        ?  
 800  1  1  C  163  GLN  B  139  .  ?        ?  
 801  1  1  C  164  TRP  B  140  .  ?        ?  
 802  1  1  C  165  ARG  B  141  .  ?        ?  
 803  1  1  C  166  ASP  B  142  .  ?        ?  
 804  1  1  C  167  ILE  B  143  .  ?        ?  
 805  1  1  C  168  VAL  B  144  .  ?        ?  
 806  1  1  C  169  SER  B  145  .  ?        ?  
 807  1  1  C  170  SER  B  146  .  ?        ?  
 808  1  1  C  171  ASP  B  147  .  ?        ?  
 809  1  1  C  172  PHE  B  148  .  ?        ?  
 810  1  1  C  173  LEU  B  149  .  ?        ?  
 811  1  1  C  174  SER  B  150  .  ?        ?  
 812  1  1  C  175  ASN  B  151  .  ?        ?  
 813  1  1  C  176  MET  B  152  .  ?        ?  
 814  1  1  C  177  SER  B  153  .  ?        ?  
 815  1  1  C  178  MET  B  154  .  ?        ?  
 816  1  1  C  179  ASP  B  155  .  ?        ?  
 817  1  1  C  180  PHE  B  156  .  ?        ?  
 818  1  1  C  181  GLN  B  157  .  ?        ?  
 819  1  1  C  182  ASN  B  158  .  ?        ?  
 820  1  1  C  183  HIS  B  159  .  ?        ?  
 821  1  1  C  184  LEU  B  160  .  ?        ?  
 822  1  1  C  185  GLY  B  161  .  ?        ?  
 823  1  1  C  186  SER  B  162  .  ?        ?  
 824  1  1  C  187  CYS  B  163  .  ?        ?  
 825  1  1  C  188  GLN  B  164  .  ?        2  
 826  1  1  C  189  LYS  B  165  .  ?        ?  
 827  1  1  C  190  CYS  B  166  .  ?        ?  
 828  1  1  C  191  ASP  B  167  .  ?        ?  
 829  1  1  C  192  PRO  B  168  .  ?        ?  
 830  1  1  C  193  SER  B  169  .  ?        ?  
 831  1  1  C  194  CYS  B  170  .  ?        ?  
 832  1  1  C  195  PRO  B  171  .  ?        ?  
 833  1  1  C  196  ASN  B  172  .  ?        ?  
 834  1  1  C  197  GLY  B  173  .  ?        ?  
 835  1  1  C  198  SER  B  174  .  ?        1  
 836  1  1  C  199  CYS  B  175  .  ?        2  
 837  1  1  C  200  TRP  B  176  .  ?        1  
 838  1  1  C  201  GLY  B  177  .  ?        ?  
 839  1  1  C  202  ALA  B  178  .  ?        ?  
 840  1  1  C  203  GLY  B  179  .  ?        ?  
 841  1  1  C  204  GLU  B  180  .  ?        ?  
 842  1  1  C  205  GLU  B  181  .  ?        ?  
 843  1  1  C  206  ASN  B  182  .  ?        ?  
 844  1  1  C  207  CYS  B  183  .  ?        2  
 845  1  1  C  208  GLN  B  184  .  ?        1  
 846  1  1  C  209  LYS  B  185  .  ?        ?  
 847  1  1  C  210  LEU  B  186  .  ?        ?  
 848  1  1  C  211  THR  B  187  .  ?        ?  
 849  1  1  C  212  LYS  B  188  .  ?        ?  
 850  1  1  C  213  ILE  B  189  .  ?        ?  
 851  1  1  C  214  ILE  B  190  .  ?        ?  
 852  1  1  C  215  CYS  B  191  .  ?        ?  
 853  1  1  C  216  ALA  B  192  .  ?        ?  
 854  1  1  C  217  GLN  B  193  .  ?        1  
 855  1  1  C  218  GLN  B  194  .  ?        ?  
 856  1  1  C  219  CYS  B  195  .  ?        ?  
 857  1  1  C  220  SER  B  196  .  ?        ?  
 858  1  1  C  221  GLY  B  197  .  ?        ?  
 859  1  1  C  222  ARG  B  198  .  ?        ?  
 860  1  1  C  223  CYS  B  199  .  ?        ?  
 861  1  1  C  224  ARG  B  200  .  ?        ?  
 862  1  1  C  225  GLY  B  201  .  ?        ?  
 863  1  1  C  226  LYS  B  202  .  ?        ?  
 864  1  1  C  227  SER  B  203  .  ?        ?  
 865  1  1  C  228  PRO  B  204  .  ?        1  
 866  1  1  C  229  SER  B  205  .  ?        1  
 867  1  1  C  230  ASP  B  206  .  ?        ?  
 868  1  1  C  231  CYS  B  207  .  ?        ?  
 869  1  1  C  232  CYS  B  208  .  ?        ?  
 870  1  1  C  233  HIS  B  209  .  ?        ?  
 871  1  1  C  234  ASN  B  210  .  ?        ?  
 872  1  1  C  235  GLN  B  211  .  ?        ?  
 873  1  1  C  236  CYS  B  212  .  ?        1  
 874  1  1  C  237  ALA  B  213  .  ?        ?  
 875  1  1  C  238  ALA  B  214  .  ?        ?  
 876  1  1  C  239  GLY  B  215  .  ?        ?  
 877  1  1  C  240  CYS  B  216  .  ?        ?  
 878  1  1  C  241  THR  B  217  .  ?        ?  
 879  1  1  C  242  GLY  B  218  .  ?        ?  
 880  1  1  C  243  PRO  B  219  .  ?        ?  
 881  1  1  C  244  ARG  B  220  .  ?        ?  
 882  1  1  C  245  GLU  B  221  .  ?        ?  
 883  1  1  C  246  SER  B  222  .  ?        ?  
 884  1  1  C  247  ASP  B  223  .  ?        ?  
 885  1  1  C  248  CYS  B  224  .  ?        ?  
 886  1  1  C  249  LEU  B  225  .  ?        ?  
 887  1  1  C  250  VAL  B  226  .  ?        1  
 888  1  1  C  251  CYS  B  227  .  ?        1  
 889  1  1  C  252  ARG  B  228  .  ?        1  
 890  1  1  C  253  LYS  B  229  .  ?        ?  
 891  1  1  C  254  PHE  B  230  .  ?        ?  
 892  1  1  C  255  ARG  B  231  .  ?        1  
 893  1  1  C  256  ASN  B  232  .  ?        ?  
 894  1  1  C  257  GLU  B  233  .  ?        ?  
 895  1  1  C  258  ALA  B  234  .  ?        ?  
 896  1  1  C  259  THR  B  235  .  ?        ?  
 897  1  1  C  260  CYS  B  236  .  ?        ?  
 898  1  1  C  261  LYS  B  237  .  ?        ?  
 899  1  1  C  262  ASP  B  238  .  ?        ?  
 900  1  1  C  263  THR  B  239  .  ?        ?  
 901  1  1  C  264  CYS  B  240  .  ?        ?  
 902  1  1  C  265  PRO  B  241  .  ?        ?  
 903  1  1  C  266  PRO  B  242  .  ?        ?  
 904  1  1  C  267  LEU  B  243  .  ?        ?  
 905  1  1  C  268  MET  B  244  .  ?        ?  
 906  1  1  C  269  LEU  B  245  .  ?        ?  
 907  1  1  C  270  TYR  B  246  .  ?        ?  
 908  1  1  C  271  ASN  B  247  .  ?        ?  
 909  1  1  C  272  PRO  B  248  .  ?        ?  
 910  1  1  C  273  THR  B  249  .  ?        ?  
 911  1  1  C  274  THR  B  250  .  ?        ?  
 912  1  1  C  275  TYR  B  251  .  ?        ?  
 913  1  1  C  276  GLN  B  252  .  ?        ?  
 914  1  1  C  277  MET  B  253  .  ?        ?  
 915  1  1  C  278  ASP  B  254  .  ?        ?  
 916  1  1  C  279  VAL  B  255  .  ?        ?  
 917  1  1  C  280  ASN  B  256  .  ?        ?  
 918  1  1  C  281  PRO  B  257  .  ?        ?  
 919  1  1  C  282  GLU  B  258  .  ?        ?  
 920  1  1  C  283  GLY  B  259  .  ?        ?  
 921  1  1  C  284  LYS  B  260  .  ?        ?  
 922  1  1  C  285  TYR  B  261  .  ?        ?  
 923  1  1  C  286  SER  B  262  .  ?        ?  
 924  1  1  C  287  PHE  B  263  .  ?        1  
 925  1  1  C  288  GLY  B  264  .  ?        ?  
 926  1  1  C  289  ALA  B  265  .  ?        ?  
 927  1  1  C  290  THR  B  266  .  ?        ?  
 928  1  1  C  291  CYS  B  267  .  ?        ?  
 929  1  1  C  292  VAL  B  268  .  ?        ?  
 930  1  1  C  293  LYS  B  269  .  ?        ?  
 931  1  1  C  294  LYS  B  270  .  ?        ?  
 932  1  1  C  295  CYS  B  271  .  ?        ?  
 933  1  1  C  296  PRO  B  272  .  ?        ?  
 934  1  1  C  297  ARG  B  273  .  ?        1  
 935  1  1  C  298  ASN  B  274  .  ?        ?  
 936  1  1  C  299  TYR  B  275  .  ?        ?  
 937  1  1  C  300  VAL  B  276  .  ?        ?  
 938  1  1  C  301  VAL  B  277  .  ?        ?  
 939  1  1  C  302  THR  B  278  .  ?        1  
 940  1  1  C  303  ASP  B  279  .  ?        ?  
 941  1  1  C  304  HIS  B  280  .  ?        ?  
 942  1  1  C  305  GLY  B  281  .  ?        ?  
 943  1  1  C  306  SER  B  282  .  ?        1  
 944  1  1  C  307  CYS  B  283  .  ?        1  
 945  1  1  C  308  VAL  B  284  .  ?        ?  
 946  1  1  C  309  ARG  B  285  .  ?        1  
 947  1  1  C  310  ALA  B  286  .  ?        ?  
 948  1  1  C  311  CYS  B  287  .  ?        ?  
 949  1  1  C  312  GLY  B  288  .  ?        ?  
 950  1  1  C  313  ALA  B  289  .  ?        ?  
 951  1  1  C  314  ASP  B  290  .  ?        ?  
 952  1  1  C  315  SER  B  291  .  ?        ?  
 953  1  1  C  316  TYR  B  292  .  ?        ?  
 954  1  1  C  317  GLU  B  293  .  ?        2  
 955  1  1  C  318  MET  B  294  .  ?        1  
 956  1  1  C  319  GLU  B  295  .  ?        1  
 957  1  1  C  320  GLU  B  296  .  ?        1  
 958  1  1  C  321  ASP  B  297  .  ?        ?  
 959  1  1  C  322  GLY  B  298  .  ?        ?  
 960  1  1  C  323  VAL  B  299  .  ?        ?  
 961  1  1  C  324  ARG  B  300  .  ?        2  
 962  1  1  C  325  LYS  B  301  .  ?        1  
 963  1  1  C  326  CYS  B  302  .  ?        ?  
 964  1  1  C  327  LYS  B  303  .  ?        ?  
 965  1  1  C  328  LYS  B  304  .  ?        ?  
 966  1  1  C  329  CYS  B  305  .  ?        ?  
 967  1  1  C  330  GLU  B  306  .  ?        ?  
 968  1  1  C  331  GLY  B  307  .  ?        ?  
 969  1  1  C  332  PRO  B  308  .  ?        ?  
 970  1  1  C  333  CYS  B  309  .  ?        ?  
 971  1  1  C  334  ARG  B  310  .  ?        ?  
 972  1  1  C  335  LYS  B  311  .  ?        ?  
 973  1  1  C  336  VAL  B  312  .  ?        ?  
 974  1  1  C  337  CYS  B  313  .  ?        ?  
 975  1  1  C  338  ASN  B  314  .  ?        ?  
 976  1  1  C  339  GLY  B  315  .  ?        ?  
 977  1  1  C  340  ILE  B  316  .  ?        ?  
 978  1  1  C  341  GLY  B  317  .  ?        ?  
 979  1  1  C  342  ILE  B  318  .  ?        ?  
 980  1  1  C  343  GLY  B  319  .  ?        ?  
 981  1  1  C  344  GLU  B  320  .  ?        ?  
 982  1  1  C  345  PHE  B  321  .  ?        ?  
 983  1  1  C  346  LYS  B  322  .  ?        ?  
 984  1  1  C  347  ASP  B  323  .  ?        ?  
 985  1  1  C  348  SER  B  324  .  ?        ?  
 986  1  1  C  349  LEU  B  325  .  ?        ?  
 987  1  1  C  350  SER  B  326  .  ?        1  
 988  1  1  C  351  ILE  B  327  .  ?        1  
 989  1  1  C  352  ASN  B  328  .  ?        ?  
 990  1  1  C  353  ALA  B  329  .  ?        ?  
 991  1  1  C  354  THR  B  330  .  ?        1  
 992  1  1  C  355  ASN  B  331  .  ?        ?  
 993  1  1  C  356  ILE  B  332  .  ?        ?  
 994  1  1  C  357  LYS  B  333  .  ?        1  
 995  1  1  C  358  HIS  B  334  .  ?        ?  
 996  1  1  C  359  PHE  B  335  .  ?        ?  
 997  1  1  C  360  LYS  B  336  .  ?        ?  
 998  1  1  C  361  ASN  B  337  .  ?        ?  
 999  1  1  C  362  CYS  B  338  .  ?        ?  
1000  1  1  C  363  THR  B  339  .  ?        ?  
1001  1  1  C  364  SER  B  340  .  ?        ?  
1002  1  1  C  365  ILE  B  341  .  ?        ?  
1003  1  1  C  366  SER  B  342  .  ?        ?  
1004  1  1  C  367  GLY  B  343  .  ?        ?  
1005  1  1  C  368  ASP  B  344  .  ?        ?  
1006  1  1  C  369  LEU  B  345  .  ?        2  
1007  1  1  C  370  HIS  B  346  .  ?        ?  
1008  1  1  C  371  ILE  B  347  .  ?        ?  
1009  1  1  C  372  LEU  B  348  .  ?        ?  
1010  1  1  C  373  PRO  B  349  .  ?        ?  
1011  1  1  C  374  VAL  B  350  .  ?        ?  
1012  1  1  C  375  ALA  B  351  .  ?        ?  
1013  1  1  C  376  PHE  B  352  .  ?        ?  
1014  1  1  C  377  ARG  B  353  .  ?        ?  
1015  1  1  C  378  GLY  B  354  .  ?        ?  
1016  1  1  C  379  ASP  B  355  .  ?        ?  
1017  1  1  C  380  SER  B  356  .  ?        ?  
1018  1  1  C  381  PHE  B  357  .  ?        ?  
1019  1  1  C  382  THR  B  358  .  ?        ?  
1020  1  1  C  383  HIS  B  359  .  ?        ?  
1021  1  1  C  384  THR  B  360  .  ?        ?  
1022  1  1  C  385  PRO  B  361  .  ?        ?  
1023  1  1  C  386  PRO  B  362  .  ?        ?  
1024  1  1  C  387  LEU  B  363  .  ?        ?  
1025  1  1  C  388  ASP  B  364  .  ?        1  
1026  1  1  C  389  PRO  B  365  .  ?        ?  
1027  1  1  C  390  GLN  B  366  .  ?        ?  
1028  1  1  C  391  GLU  B  367  .  ?        1  
1029  1  1  C  392  LEU  B  368  .  ?        ?  
1030  1  1  C  393  ASP  B  369  .  ?        ?  
1031  1  1  C  394  ILE  B  370  .  ?        ?  
1032  1  1  C  395  LEU  B  371  .  ?        ?  
1033  1  1  C  396  LYS  B  372  .  ?        1  
1034  1  1  C  397  THR  B  373  .  ?        ?  
1035  1  1  C  398  VAL  B  374  .  ?        ?  
1036  1  1  C  399  LYS  B  375  .  ?        ?  
1037  1  1  C  400  GLU  B  376  .  ?        1  
1038  1  1  C  401  ILE  B  377  .  ?        ?  
1039  1  1  C  402  THR  B  378  .  ?        1  
1040  1  1  C  403  GLY  B  379  .  ?        ?  
1041  1  1  C  404  PHE  B  380  .  ?        ?  
1042  1  1  C  405  LEU  B  381  .  ?        ?  
1043  1  1  C  406  LEU  B  382  .  ?        ?  
1044  1  1  C  407  ILE  B  383  .  ?        ?  
1045  1  1  C  408  GLN  B  384  .  ?        ?  
1046  1  1  C  409  ALA  B  385  .  ?        ?  
1047  1  1  C  410  TRP  B  386  .  ?        ?  
1048  1  1  C  411  PRO  B  387  .  ?        ?  
1049  1  1  C  412  GLU  B  388  .  ?        1  
1050  1  1  C  413  ASN  B  389  .  ?        ?  
1051  1  1  C  414  ARG  B  390  .  ?        ?  
1052  1  1  C  415  THR  B  391  .  ?        ?  
1053  1  1  C  416  ASP  B  392  .  ?        2  
1054  1  1  C  417  LEU  B  393  .  ?        ?  
1055  1  1  C  418  HIS  B  394  .  ?        ?  
1056  1  1  C  419  ALA  B  395  .  ?        ?  
1057  1  1  C  420  PHE  B  396  .  ?        ?  
1058  1  1  C  421  GLU  B  397  .  ?        ?  
1059  1  1  C  422  ASN  B  398  .  ?        1  
1060  1  1  C  423  LEU  B  399  .  ?        ?  
1061  1  1  C  424  GLU  B  400  .  ?        ?  
1062  1  1  C  425  ILE  B  401  .  ?        ?  
1063  1  1  C  426  ILE  B  402  .  ?        ?  
1064  1  1  C  427  ARG  B  403  .  ?        2  
1065  1  1  C  428  GLY  B  404  .  ?        ?  
1066  1  1  C  429  ARG  B  405  .  ?        1  
1067  1  1  C  430  THR  B  406  .  ?        ?  
1068  1  1  C  431  LYS  B  407  .  ?        ?  
1069  1  1  C  432  GLN  B  408  .  ?        ?  
1070  1  1  C  433  HIS  B  409  .  ?        1  
1071  1  1  C  434  GLY  B  410  .  ?        ?  
1072  1  1  C  435  GLN  B  411  .  ?        ?  
1073  1  1  C  436  PHE  B  412  .  ?        ?  
1074  1  1  C  437  SER  B  413  .  ?        ?  
1075  1  1  C  438  LEU  B  414  .  ?        1  
1076  1  1  C  439  ALA  B  415  .  ?        ?  
1077  1  1  C  440  VAL  B  416  .  ?        ?  
1078  1  1  C  441  VAL  B  417  .  ?        ?  
1079  1  1  C  442  SER  B  418  .  ?        ?  
1080  1  1  C  443  LEU  B  419  .  ?        ?  
1081  1  1  C  444  ASN  B  420  .  ?        1  
1082  1  1  C  445  ILE  B  421  .  ?        1  
1083  1  1  C  446  THR  B  422  .  ?        ?  
1084  1  1  C  447  SER  B  423  .  ?        ?  
1085  1  1  C  448  LEU  B  424  .  ?        1  
1086  1  1  C  449  GLY  B  425  .  ?        ?  
1087  1  1  C  450  LEU  B  426  .  ?        ?  
1088  1  1  C  451  ARG  B  427  .  ?        ?  
1089  1  1  C  452  SER  B  428  .  ?        ?  
1090  1  1  C  453  LEU  B  429  .  ?        ?  
1091  1  1  C  454  LYS  B  430  .  ?        ?  
1092  1  1  C  455  GLU  B  431  .  ?        ?  
1093  1  1  C  456  ILE  B  432  .  ?        ?  
1094  1  1  C  457  SER  B  433  .  ?        ?  
1095  1  1  C  458  ASP  B  434  .  ?        ?  
1096  1  1  C  459  GLY  B  435  .  ?        ?  
1097  1  1  C  460  ASP  B  436  .  ?        ?  
1098  1  1  C  461  VAL  B  437  .  ?        1  
1099  1  1  C  462  ILE  B  438  .  ?        1  
1100  1  1  C  463  ILE  B  439  .  ?        1  
1101  1  1  C  464  SER  B  440  .  ?        ?  
1102  1  1  C  465  GLY  B  441  .  ?        ?  
1103  1  1  C  466  ASN  B  442  .  ?        ?  
1104  1  1  C  467  LYS  B  443  .  ?        ?  
1105  1  1  C  468  ASN  B  444  .  ?        3  
1106  1  1  C  469  LEU  B  445  .  ?        1  
1107  1  1  C  470  CYS  B  446  .  ?        ?  
1108  1  1  C  471  TYR  B  447  .  ?        1  
1109  1  1  C  472  ALA  B  448  .  ?        ?  
1110  1  1  C  473  ASN  B  449  .  ?        ?  
1111  1  1  C  474  THR  B  450  .  ?        ?  
1112  1  1  C  475  ILE  B  451  .  ?        ?  
1113  1  1  C  476  ASN  B  452  .  ?        ?  
1114  1  1  C  477  TRP  B  453  .  ?        ?  
1115  1  1  C  478  LYS  B  454  .  ?        ?  
1116  1  1  C  479  LYS  B  455  .  ?        ?  
1117  1  1  C  480  LEU  B  456  .  ?        ?  
1118  1  1  C  481  PHE  B  457  .  ?        ?  
1119  1  1  C  482  GLY  B  458  .  ?        1  
1120  1  1  C  483  THR  B  459  .  ?        ?  
1121  1  1  C  484  SER  B  460  .  ?        ?  
1122  1  1  C  485  GLY  B  461  .  ?        ?  
1123  1  1  C  486  GLN  B  462  .  ?        ?  
1124  1  1  C  487  LYS  B  463  .  ?        ?  
1125  1  1  C  488  THR  B  464  .  ?        ?  
1126  1  1  C  489  LYS  B  465  .  ?        1  
1127  1  1  C  490  ILE  B  466  .  ?        ?  
1128  1  1  C  491  ILE  B  467  .  ?        ?  
1129  1  1  C  492  SER  B  468  .  ?        ?  
1130  1  1  C  493  ASN  B  469  .  ?        ?  
1131  1  1  C  494  ARG  B  470  .  ?        1  
1132  1  1  C  495  GLY  B  471  .  ?        ?  
1133  1  1  C  496  GLU  B  472  .  ?        ?  
1134  1  1  C  497  ASN  B  473  .  ?        ?  
1135  1  1  C  498  SER  B  474  .  ?        ?  
1136  1  1  C  499  CYS  B  475  .  ?        1  
1137  1  1  C  500  LYS  B  476  .  ?        ?  
1138  1  1  C  501  ALA  B  477  .  ?        ?  
1139  1  1  C  502  THR  B  478  .  ?        ?  
1140  1  1  C  503  GLY  B  479  .  ?        ?  
1141  1  1  C  504  GLN  B  480  .  ?        2  
1142  1  1  C  505  VAL  B  481  .  ?        ?  
1143  1  1  C  506  CYS  B  482  .  ?        ?  
1144  1  1  C  507  HIS  B  483  .  ?        ?  
1145  1  1  C  508  ALA  B  484  .  ?        ?  
1146  1  1  C  509  LEU  B  485  .  ?        ?  
1147  1  1  C  510  CYS  B  486  .  ?        ?  
1148  1  1  C  511  SER  B  487  .  ?        ?  
1149  1  1  C  512  PRO  B  488  .  ?        ?  
1150  1  1  C  513  GLU  B  489  .  ?        ?  
1151  1  1  C  514  GLY  B  490  .  ?        ?  
1152  1  1  C  515  CYS  B  491  .  ?        ?  
1153  1  1  C  516  TRP  B  492  .  ?        ?  
1154  1  1  C  517  GLY  B  493  .  ?        ?  
1155  1  1  C  518  PRO  B  494  .  ?        ?  
1156  1  1  C  519  GLU  B  495  .  ?        ?  
1157  1  1  C  520  PRO  B  496  .  ?        ?  
1158  1  1  C  521  ARG  B  497  .  ?        ?  
1159  1  1  C  522  ASP  B  498  .  ?        ?  
1160  1  1  C  523  CYS  B  499  .  ?        ?  
1161  1  1  C  524  VAL  B  500  .  ?        ?  
1162  1  1  C  525  SER  B  501  .  ?        ?  
1163  1  1  C  526  CYS  B  502  .  ?        1  
1164  1  1  C  527  ARG  B  503  .  ?        ?  
1165  1  1  C  528  ASN  B  504  .  ?        ?  
1166  1  1  C  529  VAL  B  505  .  ?        1  
1167  1  1  C  530  SER  B  506  .  ?        1  
1168  1  1  C  531  ARG  B  507  .  ?        1  
1169  1  1  C  532  GLY  B  508  .  ?        ?  
1170  1  1  C  533  ARG  B  509  .  ?        ?  
1171  1  1  C  534  GLU  B  510  .  ?        ?  
1172  1  1  C  535  CYS  B  511  .  ?        ?  
1173  1  1  C  536  VAL  B  512  .  ?        1  
1174  1  1  C  537  ASP  B  513  .  ?        ?  
1175  1  1  C  538  LYS  B  514  .  ?        ?  
1176  1  1  C  539  CYS  B  515  .  ?        1  
1177  1  1  C  540  ASN  B  516  .  ?        ?  
1178  1  1  C  541  LEU  B  517  .  ?        ?  
1179  1  1  C  542  LEU  B  518  .  ?        ?  
1180  1  1  C  543  GLU  B  519  .  ?        ?  
1181  1  1  C  544  GLY  B  520  .  ?        ?  
1182  1  1  C  545  GLU  B  521  .  ?        2  
1183  1  1  C  546  PRO  B  522  .  ?        2  
1184  1  1  C  547  ARG  B  523  .  ?        2  
1185  1  1  C  548  GLU  B  524  .  ?        ?  
1186  1  1  C  549  PHE  B  525  .  ?        1  
1187  1  1  C  550  VAL  B  526  .  ?        1  
1188  1  1  C  551  GLU  B  527  .  ?        ?  
1189  1  1  C  552  ASN  B  528  .  ?        ?  
1190  1  1  C  553  SER  B  529  .  ?        ?  
1191  1  1  C  554  GLU  B  530  .  ?        ?  
1192  1  1  C  555  CYS  B  531  .  ?        1  
1193  1  1  C  556  ILE  B  532  .  ?        4  
1194  1  1  C  557  GLN  B  533  .  ?        ?  
1195  1  1  C  558  CYS  B  534  .  ?        ?  
1196  1  1  C  559  HIS  B  535  .  ?        ?  
1197  1  1  C  560  PRO  B  536  .  ?        ?  
1198  1  1  C  561  GLU  B  537  .  ?        ?  
1199  1  1  C  562  CYS  B  538  .  ?        ?  
1200  1  1  C  563  LEU  B  539  .  ?        ?  
1201  1  1  C  564  PRO  B  540  .  ?        2  
1202  1  1  C  565  GLN  B  541  .  ?        ?  
1203  1  1  C  566  ALA  B  542  .  ?        ?  
1204  1  1  C  567  MET  B  543  .  ?        ?  
1205  1  1  C  568  ASN  B  544  .  ?        ?  
1206  1  1  C  569  ILE  B  545  .  ?        ?  
1207  1  1  C  570  THR  B  546  .  ?        ?  
1208  1  1  C  571  CYS  B  547  .  ?        ?  
1209  1  1  C  572  THR  B  548  .  ?        ?  
1210  1  1  C  573  GLY  B  549  .  ?        ?  
1211  1  1  C  574  ARG  B  550  .  ?        1  
1212  1  1  C  575  GLY  B  551  .  ?        ?  
1213  1  1  C  576  PRO  B  552  .  ?        1  
1214  1  1  C  577  ASP  B  553  .  ?        ?  
1215  1  1  C  578  ASN  B  554  .  ?        ?  
1216  1  1  C  579  CYS  B  555  .  ?        ?  
1217  1  1  C  580  ILE  B  556  .  ?        ?  
1218  1  1  C  581  GLN  B  557  .  ?        ?  
1219  1  1  C  582  CYS  B  558  .  ?        ?  
1220  1  1  C  583  ALA  B  559  .  ?        ?  
1221  1  1  C  584  HIS  B  560  .  ?        ?  
1222  1  1  C  585  TYR  B  561  .  ?        ?  
1223  1  1  C  586  ILE  B  562  .  ?        ?  
1224  1  1  C  587  ASP  B  563  .  ?        1  
1225  1  1  C  588  GLY  B  564  .  ?        1  
1226  1  1  C  589  PRO  B  565  .  ?        1  
1227  1  1  C  590  HIS  B  566  .  ?        ?  
1228  1  1  C  591  CYS  B  567  .  ?        1  
1229  1  1  C  592  VAL  B  568  .  ?        ?  
1230  1  1  C  593  LYS  B  569  .  ?        ?  
1231  1  1  C  594  THR  B  570  .  ?        ?  
1232  1  1  C  595  CYS  B  571  .  ?        ?  
1233  1  1  C  596  PRO  B  572  .  ?        ?  
1234  1  1  C  597  ALA  B  573  .  ?        ?  
1235  1  1  C  598  GLY  B  574  .  ?        ?  
1236  1  1  C  599  VAL  B  575  .  ?        ?  
1237  1  1  C  600  MET  B  576  .  ?        ?  
1238  1  1  C  601  GLY  B  577  .  ?        ?  
1239  1  1  C  602  GLU  B  578  .  ?        ?  
1240  1  1  C  603  ASN  B  579  .  ?        ?  
1241  1  1  C  604  ASN  B  580  .  ?        ?  
1242  1  1  C  605  THR  B  581  .  ?        ?  
1243  1  1  C  606  LEU  B  582  .  ?        ?  
1244  1  1  C  607  VAL  B  583  .  ?        ?  
1245  1  1  C  608  TRP  B  584  .  ?        ?  
1246  1  1  C  609  LYS  B  585  .  ?        1  
1247  1  1  C  610  TYR  B  586  .  ?        ?  
1248  1  1  C  611  ALA  B  587  .  ?        ?  
1249  1  1  C  612  ASP  B  588  .  ?        ?  
1250  1  1  C  613  ALA  B  589  .  ?        ?  
1251  1  1  C  614  GLY  B  590  .  ?        ?  
1252  1  1  C  615  HIS  B  591  .  ?        ?  
1253  1  1  C  616  VAL  B  592  .  ?        ?  
1254  1  1  C  617  CYS  B  593  .  ?        1  
1255  1  1  C  618  HIS  B  594  .  ?        ?  
1256  1  1  C  619  LEU  B  595  .  ?        1  
1257  1  1  C  620  CYS  B  596  .  ?        ?  
1258  1  1  C  621  HIS  B  597  .  ?        1  
1259  1  1  C  622  PRO  B  598  .  ?        ?  
1260  1  1  C  623  ASN  B  599  .  ?        ?  
1261  1  1  C  624  CYS  B  600  .  ?        ?  
1262  1  1  C  625  THR  B  601  .  ?        ?  
1263  1  1  C  626  TYR  B  602  .  ?        ?  
1264  1  1  C  627  GLY  B  603  .  ?        ?  
1265  1  1  C  628  CYS  B  604  .  ?        2  
1266  1  1  C  629  THR  B  605  .  ?        ?  
1267  1  1  C  630  GLY  B  606  .  ?        ?  
1268  1  1  C  631  PRO  B  607  .  ?        ?  
1269  1  1  C  632  GLY  B  608  .  ?        1  
1270  1  1  C  633  LEU  B  609  .  ?        ?  
1271  1  1  C  634  GLU  B  610  .  ?        ?  
1272  1  1  C  635  GLY  B  611  .  ?        ?  
1273  1  1  C  636  CYS  B  612  .  ?        2  
1274  1  1  C  637  PRO  B  613  .  ?        ?  
1275  1  1  C  638  THR  B  614  .  ?        ?  
1276  1  2  D    5  GLU  D    5  .  ?        ?  
1277  1  2  D    6  CYS  D    6  .  ?        ?  
1278  1  2  D    7  PRO  D    7  .  ?        ?  
1279  1  2  D    8  LEU  D    8  .  ?        ?  
1280  1  2  D    9  SER  D    9  .  ?        ?  
1281  1  2  D   10  HIS  D   10  .  ?        ?  
1282  1  2  D   11  ASP  D   11  .  ?        ?  
1283  1  2  D   12  GLY  D   12  .  ?        ?  
1284  1  2  D   13  TYR  D   13  .  ?        ?  
1285  1  2  D   14  CYS  D   14  .  ?        ?  
1286  1  2  D   15  LEU  D   15  .  ?        ?  
1287  1  2  D   16  HIS  D   16  .  ?        ?  
1288  1  2  D   17  ASP  D   17  .  ?        ?  
1289  1  2  D   18  GLY  D   18  .  ?        ?  
1290  1  2  D   19  VAL  D   19  .  ?        ?  
1291  1  2  D   20  CYS  D   20  .  ?        ?  
1292  1  2  D   21  MET  D   21  .  ?        ?  
1293  1  2  D   22  TYR  D   22  .  ?        ?  
1294  1  2  D   23  ILE  D   23  .  ?        ?  
1295  1  2  D   24  GLU  D   24  .  ?        ?  
1296  1  2  D   25  ALA  D   25  .  ?        ?  
1297  1  2  D   26  LEU  D   26  .  ?        ?  
1298  1  2  D   27  ASP  D   27  .  ?        ?  
1299  1  2  D   28  LYS  D   28  .  ?        ?  
1300  1  2  D   29  TYR  D   29  .  ?        ?  
1301  1  2  D   30  ALA  D   30  .  ?        ?  
1302  1  2  D   31  CYS  D   31  .  ?        ?  
1303  1  2  D   32  ASN  D   32  .  ?        ?  
1304  1  2  D   33  CYS  D   33  .  ?        ?  
1305  1  2  D   34  VAL  D   34  .  ?        ?  
1306  1  2  D   35  VAL  D   35  .  ?        ?  
1307  1  2  D   36  GLY  D   36  .  ?        ?  
1308  1  2  D   37  TYR  D   37  .  ?        ?  
1309  1  2  D   38  ILE  D   38  .  ?        ?  
1310  1  2  D   39  GLY  D   39  .  ?        ?  
1311  1  2  D   40  GLU  D   40  .  ?        ?  
1312  1  2  D   41  ARG  D   41  .  ?        ?  
1313  1  2  D   42  CYS  D   42  .  ?        ?  
1314  1  2  D   43  GLN  D   43  .  ?        ?  
1315  1  2  D   44  TYR  D   44  .  ?        ?  
1316  1  2  D   45  ARG  D   45  .  ?        ?  
1317  1  2  D   46  ASP  D   46  .  ?        ?  
1318  1  2  D   47  LEU  D   47  .  ?        ?  
1319  1  2  D   48  LYS  D   48  .  ?        1  
1320  1  2  D   49  TRP  D   49  .  ?        ?  
1321  1  2  D   50  TRP  D   50  .  ?        ?  
1322  1  2  D   51  GLU  D   51  .  ?        ?  
#
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.flippable_sidechain
_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
   1     1  mt            ?       ?  ?           ?  13   8  0.17  11  0.23  molprobity  
   2     2  mp0       -57.3   -52.8  Favored     ?   6   9  0.23  12  0.27  molprobity  
   3     3  pt-20     -87.4   141.6  Favored     ?   6   9  0.27  12  0.37  molprobity  
   4     4  mtpt     -101.5   143.7  Favored     ?  13   9  0.22  11  0.27  molprobity  
   5     5  mppt?     -60.1   125.0  Favored     ?  13   9  0.31  11  0.25  molprobity  
   6     6  m        -104.4   153.3  Favored     ?   9   7  0.35  10  0.44  molprobity  
   7     7  p        -135.2   165.1  Favored     ?   4   6  0.33   8  0.66  molprobity  
   8     8  mm100     -92.7   -30.6  Favored     1   8   9  0.23  12  0.50  molprobity  
   9     9  ?          83.6   160.5  Favored     ?   3   4  0.46   5  0.74  molprobity  
  10    10  OUTLIER   -77.9   -94.1  OUTLIER     ?   7   7  0.87  10  1.31  molprobity  
  11    11  p          98.1   -12.5  Allowed     ?   5   6  1.00   8  1.45  molprobity  
  12    12  p30       -73.6    88.3  Allowed     ?   6   8  0.17  11  0.86  molprobity  
  13    13  mmtp      -44.6   -65.5  Allowed     ?  13   9  0.22  11  0.64  molprobity  
  14    14  mt       -126.1    22.1  Favored     ?  11   8  0.22  11  0.27  molprobity  
  15    15  m         -81.4   141.2  Favored     ?   7   7  0.34  10  0.51  molprobity  
  16    16  tt0       -99.5   126.8  Favored     ?   8   9  0.30  12  0.29  molprobity  
  17    17  mt        -92.9    57.2  Favored     ?  11   8  0.21  11  0.50  molprobity  
  18    18  ?         109.7  -131.6  Favored     ?   3   4  0.31   5  0.24  molprobity  
  19    19  m         -82.6   170.4  Favored     ?   7   7  0.20  10  0.61  molprobity  
  20    20  m-30      -58.2   -35.5  Favored     ?   9  12  0.38  16  0.20  molprobity  
  21    21  pm0      -100.5     1.8  Favored     ?   6   9  0.26  12  0.39  molprobity  
  22    22  m-20      -92.2   -29.5  Favored     ?   4   8  0.14  11  0.29  molprobity  
  23    23  t60       -71.7   -37.6  Favored     ?   7  11  0.18  15  0.25  molprobity  
  24    24  t80       -66.3   -43.2  Favored     ?   9  12  0.44  16  0.25  molprobity  
  25    25  mm?       -59.2   -39.2  Favored     ?  11   8  0.19  11  0.47  molprobity  
  26    26  m         -64.3   -35.8  Favored     ?   5   6  0.19   8  0.28  molprobity  
  27    27  tp        -66.5   -36.1  Favored     ?  11   8  0.18  11  0.68  molprobity  
  28    28  tt0       -77.5   -45.1  Favored     ?   8   9  0.30  12  0.29  molprobity  
  29    29  mtm-85    -63.2   -11.5  Favored     ?  13  11  0.21  14  0.41  molprobity  
  30    30  tpp      -104.4   -40.4  Favored     ?   9   8  0.24  10  0.35  molprobity  
  31    31  m-85     -106.3    13.6  Favored     ?   9  12  0.38  16  0.32  molprobity  
  32    32  t30       -74.5   130.2  Favored     ?   6   8  0.22  11  0.45  molprobity  
  33    33  m120       61.8    11.2  Favored     ?   6   8  0.24  11  0.44  molprobity  
  34    34  t         -79.2   152.8  Favored     ?   4   6  0.23   8  0.40  molprobity  
  35    35  mt-10    -130.7   -16.5  Favored     ?   6   9  0.24  12  0.65  molprobity  
  36    36  t        -143.6   119.8  Favored     ?   9   7  0.37  10  0.62  molprobity  
  37    37  t         -92.8   120.8  Favored     ?   9   7  0.52  10  0.45  molprobity  
  38    38  mt        -82.2    -3.3  Favored     ?  11   8  0.16  11  0.54  molprobity  
  39    39  ?        -136.9  -126.5  Favored     ?   3   4  0.50   5  0.24  molprobity  
  40    40  m120      -99.2  -175.7  Favored     1   6   8  0.27  11  0.59  molprobity  
  41    41  tp       -150.0    97.8  Favored     ?  11   8  0.25  11  0.84  molprobity  
  42    42  mp0      -100.4   127.0  Favored     ?   6   9  0.42  12  0.40  molprobity  
  43    43  mt       -121.1    35.0  Allowed     ?  11   8  0.30  11  0.65  molprobity  
  44    44  p         -76.2   148.1  Favored     ?   7   7  0.17  10  0.86  molprobity  
  45    45  m-85       71.2    32.5  Favored     ?   9  13  0.61  18  0.58  molprobity  
  46    46  t         -94.3   107.6  Favored     ?   9   7  0.52  10  0.41  molprobity  
  47    47  mm-40     -67.0   168.1  Favored     ?   8   9  0.27  12  0.41  molprobity  
  48    48  ptp180    -76.3   167.9  Favored     ?  13  11  0.21  14  0.53  molprobity  
  49    49  m-20       62.0    21.9  Favored     ?   6   8  0.21  11  0.36  molprobity  
  50    50  m-30     -103.9   106.7  Favored     ?   9  13  0.43  18  0.42  molprobity  
  51    51  t70       -71.2   101.0  Favored     ?   4   8  0.22  11  0.34  molprobity  
  52    52  mt        -92.7    51.2  Allowed     ?  11   8  0.24  11  0.74  molprobity  
  53    53  p         -87.3    -1.9  Favored     ?   5   6  0.28   8  0.40  molprobity  
  54    54  p90       -83.9     5.2  Favored     ?   9  12  0.38  16  0.28  molprobity  
  55    55  mt        -94.7    -8.8  Favored     ?  11   8  0.21  11  0.51  molprobity  
  56    56  mttt      -71.4     2.8  Favored     ?  13   9  0.23  11  0.45  molprobity  
  57    57  p        -103.0   -23.5  Favored     ?   7   7  0.17  10  0.70  molprobity  
  58    58  mt        -60.4   129.2  Favored     ?  11   8  0.31  11  0.38  molprobity  
  59    59  mt-30    -120.4   -10.9  Favored     ?   8   9  0.26  12  0.59  molprobity  
  60    60  tt0      -164.4   126.4  Favored     ?   6   9  0.29  12  0.35  molprobity  
  61    61  t        -106.5   125.3  Favored     ?   9   7  0.53  10  0.48  molprobity  
  62    62  ?         -92.5    11.9  Favored     ?   5   5  0.25   7  0.52  molprobity  
  63    63  ?        -133.5  -126.2  Favored     ?   3   4  0.40   5  0.48  molprobity  
  64    64  p90      -112.0   176.3  Favored     ?   9  13  0.51  18  0.43  molprobity  
  65    65  t        -130.6   124.1  Favored     ?   9   7  0.45  10  0.54  molprobity  
  66    66  tp       -125.7   121.1  Favored     ?  11   8  0.20  11  0.61  molprobity  
  67    67  mt       -127.0    93.3  Favored     ?  11   8  0.37  11  0.65  molprobity  
  68    68  ?        -133.9   138.2  Favored     ?   5   5  0.25   7  0.58  molprobity  
  69    69  mt         70.7    18.1  Favored     ?  11   8  0.16  11  0.44  molprobity  
  70    70  m120      -71.0   169.6  Favored     1   6   8  0.22  11  0.46  molprobity  
  71    71  p        -134.4     0.9  Favored     ?   7   7  0.18  10  0.51  molprobity  
  72    72  p         -67.7   144.7  Favored     ?   9   7  0.25  10  0.42  molprobity  
  73    73  mm-40     -75.7   -21.5  Favored     ?   6   9  0.25  11  0.42  molprobity  
  74    74  ?        -151.0   128.1  Favored     ?  13   2  0.31   2  0.62  molprobity  
  75    75  mt       -113.1   103.1  Favored     ?  11   8  0.40  12  0.60  molprobity  
  76    76  Cg_exo    -79.4    76.0  Favored     ?   7   8  0.36  11  0.63  molprobity  
  77    77  mt        -93.1    52.7  Allowed     ?  11   8  0.22  11  0.46  molprobity  
  78    78  mt-10     -76.4     0.1  Favored     ?   6   9  0.30  12  0.50  molprobity  
  79    79  m-20     -130.2     6.8  Favored     ?   6   8  0.25  11  0.58  molprobity  
  80    80  tp        -67.9   129.4  Favored     ?  11   8  0.22  11  0.35  molprobity  
  81    81  mt-30    -111.3   -31.6  Favored     ?   8   9  0.27  12  0.61  molprobity  
  82    82  tt       -156.4   139.1  Favored     ?  11   8  0.31  11  0.49  molprobity  
  83    83  mt       -117.5   104.8  Favored     ?  11   8  0.37  11  0.65  molprobity  
  84    84  mtt-85    -72.5    -5.3  Favored     ?  13  11  0.26  14  0.55  molprobity  
  85    85  ?          43.6    49.2  Favored     ?   3   4  0.17   5  0.61  molprobity  
  86    86  m-20      -77.1   -12.8  Favored     ?   6   8  0.22  11  0.38  molprobity  
  87    87  ptp      -151.2   151.5  Favored     ?   9   8  0.26  10  0.64  molprobity  
  88    88  m-85     -109.7   143.8  Favored     ?   9  13  0.48  18  0.29  molprobity  
  89    89  t80       -85.9   134.6  Favored     ?   9  13  0.44  18  0.33  molprobity  
  90    90  tp10       52.8    33.7  Favored     ?   6   9  0.23  12  0.58  molprobity  
  91    91  m-20       55.6    13.4  Allowed     ?   6   8  0.22  11  0.50  molprobity  
  92    92  m        -136.7   -23.5  Allowed     ?   5   6  0.29   8  0.85  molprobity  
  93    93  m-85     -119.1   159.3  Favored     ?   9  13  0.51  18  0.36  molprobity  
  94    94  ?        -125.7     8.3  Favored     ?   5   5  0.30   7  0.35  molprobity  
  95    95  tp       -161.7   114.7  Allowed     ?  11   8  0.23  11  0.82  molprobity  
  96    96  ?        -126.9   127.0  Favored     ?   5   5  0.30   7  0.54  molprobity  
  97    97  t        -124.2    98.5  Favored     ?   9   7  0.51  10  0.66  molprobity  
  98    98  mt       -124.0   132.1  Favored     ?  11   8  0.20  11  0.50  molprobity  
  99    99  m          47.4    48.2  Favored     ?   5   6  0.14   8  0.44  molprobity  
 100   100  m120      -83.8    21.9  Allowed     1   6   8  0.26  11  0.37  molprobity  
 101   101  p90      -103.0   154.7  Favored     ?   9  13  0.46  18  0.43  molprobity  
 102   102  t70       -81.7  -166.6  Allowed     ?   4   8  0.17  11  0.60  molprobity  
 103   103  ?         -71.0   -47.1  Favored     ?   5   5  0.27   7  0.23  molprobity  
 104   104  m120      -92.6    49.9  Allowed     ?   6   8  0.19  11  0.46  molprobity  
 105   105  tttp       62.1     3.4  Allowed     ?  13   9  0.21  11  0.43  molprobity  
 106   106  p         -92.5   177.4  Favored     ?   7   7  0.12  10  0.70  molprobity  
 107   107  ?         149.9  -152.2  Favored     ?   3   4  0.18   5  0.81  molprobity  
 108   108  tp        -53.5   132.9  Favored     ?  11   8  0.19  11  0.37  molprobity  
 109   109  ttpp     -131.4   -22.6  Favored     ?  13   9  0.27  11  0.66  molprobity  
 110   110  mt-10    -134.7   117.8  Favored     ?   6   9  0.25  12  0.42  molprobity  
 111   111  tp       -128.5    82.3  Favored     ?  11   8  0.26  12  0.71  molprobity  
 112   112  Cg_endo   -90.0    67.8  Allowed     ?   7   8  0.21  11  0.47  molprobity  
 113   113  mtm       -81.8    53.7  Favored     ?   9   8  0.22  10  0.35  molprobity  
 114   114  ptt-85    -64.1   -12.4  Favored     ?  13  11  0.24  14  0.49  molprobity  
 115   115  m-80     -104.2    -6.2  Favored     ?   6   8  0.21  11  0.42  molprobity  
 116   116  tp        -65.0   120.0  Favored     ?  11   8  0.22  11  0.32  molprobity  
 117   117  mt-30    -132.6    -3.0  Favored     ?   8   9  0.24  12  0.56  molprobity  
 118   118  tp10     -155.2   132.2  Favored     ?   6   9  0.27  12  0.42  molprobity  
 119   119  mt       -121.1   102.7  Favored     ?  11   8  0.36  11  0.81  molprobity  
 120   120  mt        -68.2   -23.2  Favored     ?  11   8  0.21  11  0.42  molprobity  
 121   121  m80      -150.1   165.5  Favored     ?   7  11  0.14  15  0.38  molprobity  
 122   122  ?          70.7   163.0  Favored     ?   3   4  0.30   5  0.43  molprobity  
 123   123  ?         -94.0  -168.9  Allowed     ?   5   5  0.21   7  0.65  molprobity  
 124   124  t        -123.6   162.4  Favored     ?   9   7  0.28  10  0.56  molprobity  
 125   125  ttt85    -150.2   134.5  Favored     ?  13  11  0.16  14  0.40  molprobity  
 126   126  m-85     -143.1    97.0  Favored     ?   9  12  0.43  16  0.45  molprobity  
 127   127  p        -133.2   156.8  Favored     ?   5   6  0.24   8  0.58  molprobity  
 128   128  m-80       54.2    42.1  Favored     1   6   8  0.22  11  0.33  molprobity  
 129   129  m-20     -115.4    75.0  Favored     ?   6   8  0.25  12  0.31  molprobity  
 130   130  Cg_endo   -86.4    40.8  Allowed     ?   7   8  0.22  11  0.26  molprobity  
 131   131  ?        -145.9     7.0  Allowed     ?   5   5  0.29   7  0.56  molprobity  
 132   132  tp        -84.3   131.6  Favored     ?  11   8  0.24  11  0.38  molprobity  
 133   133  m        -113.3   143.3  Favored     ?   4   6  0.45   8  0.62  molprobity  
 134   134  m120       70.1    -4.0  Allowed     ?   6   8  0.14  11  0.53  molprobity  
 135   135  t         -94.0     0.9  Favored     ?   9   7  0.32  10  0.38  molprobity  
 136   136  pm0       -82.9    10.3  Favored     ?   6   9  0.22  12  0.40  molprobity  
 137   137  p        -128.1    -1.9  Favored     ?   5   6  0.33   8  0.58  molprobity  
 138   138  mm        -66.2   151.2  Favored     ?  11   8  0.31  11  0.55  molprobity  
 139   139  mt-30     -98.2    89.7  Favored     ?   8   9  0.26  12  0.59  molprobity  
 140   140  m95       -73.9     6.3  Favored     ?  10  16  0.24  23  0.34  molprobity  
 141   141  ptm180    -98.7     3.9  Favored     ?  13  11  0.19  14  0.41  molprobity  
 142   142  t70       -91.3   -19.9  Favored     ?   4   8  0.21  11  0.34  molprobity  
 143   143  mt       -103.7   -59.6  Favored     ?  11   8  0.31  11  0.34  molprobity  
 144   144  t         -66.2   147.8  Favored     ?   9   7  0.42  10  0.46  molprobity  
 145   145  p         -61.5   140.1  Favored     ?   5   6  0.17   8  0.30  molprobity  
 146   146  p         -62.3   -12.2  Favored     ?   5   6  0.21   8  0.42  molprobity  
 147   147  t0        -84.1   -39.9  Favored     ?   4   8  0.16  11  0.40  molprobity  
 148   148  m-85      -89.5    25.1  Favored     ?   9  12  0.43  16  0.34  molprobity  
 149   149  tt        -90.7   -10.6  Favored     ?  11   8  0.22  11  0.84  molprobity  
 150   150  p         -80.1    -7.7  Favored     ?   5   6  0.22   8  0.38  molprobity  
 151   151  m-20     -104.7    -7.4  Favored     ?   6   8  0.26  11  0.49  molprobity  
 152   152  mtp       -67.5   134.8  Favored     ?   9   8  0.28  10  0.28  molprobity  
 153   153  t        -129.8    88.8  Favored     ?   5   6  0.19   8  0.53  molprobity  
 154   154  mtp      -122.0   110.4  Favored     ?   9   8  0.30  10  0.28  molprobity  
 155   155  p-10     -129.1   136.1  Favored     ?   4   8  0.20  11  0.42  molprobity  
 156   156  m-85     -120.2   134.1  Favored     ?   9  12  0.35  16  0.27  molprobity  
 157   157  mm-40    -135.6   108.3  Favored     ?   8   9  0.22  12  0.47  molprobity  
 158   158  t-20     -134.8    51.5  Favored     ?   6   8  0.15  11  0.38  molprobity  
 159   159  m-70      -55.0   -14.4  Allowed     ?   7  11  0.17  15  0.42  molprobity  
 160   160  mm?       -61.4   -32.3  Favored     ?  11   8  0.25  11  0.55  molprobity  
 161   161  ?          69.0     5.5  Favored     ?   3   4  0.30   5  0.64  molprobity  
 162   162  t         -84.0    19.6  Allowed     ?   5   6  0.26   8  0.35  molprobity  
 163   163  m         -79.3  -172.0  Favored     ?   4   6  0.37   8  0.46  molprobity  
 164   164  mm100    -126.0   142.2  Favored     ?   8   9  0.26  12  0.37  molprobity  
 165   165  mmtp      -85.5   151.1  Favored     ?  13   9  0.26  11  0.35  molprobity  
 166   166  p        -120.9   158.9  Favored     ?   4   6  0.38   8  1.15  molprobity  
 167   167  t70       -45.5   145.4  Favored     ?   4   8  0.18  12  0.37  molprobity  
 168   168  Cg_exo    -64.5   -19.9  Favored     ?   7   8  0.22  11  0.52  molprobity  
 169   169  p         -80.5    18.1  Allowed     ?   5   6  0.87   8  0.65  molprobity  
 170   170  m         -92.7   137.8  Favored     ?   4   6  0.88   9  0.77  molprobity  
 171   171  Cg_endo   -63.3   114.1  Favored     ?   7   8  0.20  11  0.35  molprobity  
 172   172  m120       59.5    32.0  Favored     ?   6   8  0.22  11  0.31  molprobity  
 173   173  ?          58.9    53.6  Favored     ?   3   4  0.26   5  0.26  molprobity  
 174   174  p        -129.0   107.9  Favored     ?   5   6  0.26   8  0.60  molprobity  
 175   175  p        -124.2   155.1  Favored     ?   4   6  0.34   8  0.30  molprobity  
 176   176  m95       -87.4   -27.4  Favored     ?  10  16  0.26  23  0.32  molprobity  
 177   177  ?        -161.5   171.2  Favored     ?   3   4  0.38   5  0.81  molprobity  
 178   178  ?         -65.5   110.3  Favored     ?   5   5  0.23   7  0.31  molprobity  
 179   179  ?         160.3  -176.3  Favored     ?   3   4  0.34   5  0.83  molprobity  
 180   180  pm0      -100.7   -24.8  Favored     ?   6   9  0.31  12  0.49  molprobity  
 181   181  pt-20     -88.2   -15.8  Favored     ?   6   9  0.31  12  0.34  molprobity  
 182   182  m-20      -79.5    10.2  Favored     ?   6   8  0.23  11  0.43  molprobity  
 183   183  m         -63.4   139.2  Favored     ?   4   6  0.25   8  0.70  molprobity  
 184   184  tt0       -74.3   117.7  Favored     ?   8   9  0.35  12  0.22  molprobity  
 185   185  mppt?     -78.3   118.1  Favored     ?  13   9  0.25  11  0.31  molprobity  
 186   186  mt        -90.6   137.9  Favored     ?  11   8  0.19  11  0.37  molprobity  
 187   187  p        -139.7     4.9  Favored     ?   7   7  0.27  10  0.93  molprobity  
 188   188  ttpt     -128.2   -38.3  Allowed     ?  13   9  0.16  11  0.50  molprobity  
 189   189  pt        -95.0    11.2  Favored     ?  11   8  0.25  11  0.31  molprobity  
 190   190  pt       -119.5     4.0  Favored     ?  11   8  0.25  11  0.38  molprobity  
 191   191  m         -65.5   144.6  Favored     ?   4   6  0.49   8  0.43  molprobity  
 192   192  ?         -61.2   163.8  Favored     ?   5   5  0.25   7  0.51  molprobity  
 193   193  tp-100    -62.7   -28.7  Favored     ?   8   9  0.23  12  0.27  molprobity  
 194   194  mm-40     -73.0   -27.7  Favored     ?   8   9  0.25  12  0.33  molprobity  
 195   195  m         -68.7   144.3  Favored     ?   4   6  0.29   8  0.42  molprobity  
 196   196  p         -98.5   -38.8  Favored     ?   5   6  0.24   8  0.47  molprobity  
 197   197  ?        -116.1  -109.0  Favored     ?   3   4  0.34   5  0.26  molprobity  
 198   198  mmt180    -95.5   169.1  Favored     ?  13  11  0.16  14  0.41  molprobity  
 199   199  p        -152.2   133.0  Favored     ?   4   6  0.47   8  0.32  molprobity  
 200   200  ptt85     -91.7    50.9  Allowed     ?  13  11  0.20  14  0.43  molprobity  
 201   201  ?         145.9  -174.1  Favored     ?   3   4  0.34   5  0.75  molprobity  
 202   202  mttp     -102.6   -26.7  Favored     ?  13   9  0.23  11  0.45  molprobity  
 203   203  p         -67.1   141.6  Favored     ?   5   6  0.20   9  0.27  molprobity  
 204   204  Cg_exo    -65.1    -9.5  Favored     ?   7   8  0.27  11  0.45  molprobity  
 205   205  p         -86.0    20.8  Favored     ?   5   6  0.21   8  0.29  molprobity  
 206   206  m-20     -122.1   -14.0  Favored     ?   4   8  0.15  11  0.64  molprobity  
 207   207  m         -49.9   136.4  Favored     ?   4   6  0.31   8  0.41  molprobity  
 208   208  m         -80.9   172.4  Favored     ?   4   6  0.35   8  0.47  molprobity  
 209   209  t-160     -66.1   164.1  Favored     1   7  11  0.19  15  0.35  molprobity  
 210   210  t30       -65.5   -27.8  Favored     ?   6   8  0.23  11  0.27  molprobity  
 211   211  mm-40     -95.4   -12.2  Favored     ?   8   9  0.23  12  0.52  molprobity  
 212   212  m         -62.5   132.5  Favored     ?   4   6  0.21   8  0.32  molprobity  
 213   213  ?         -93.6   -57.3  Favored     ?   5   5  0.27   7  0.37  molprobity  
 214   214  ?         -91.1   -59.3  Favored     ?   5   5  0.23   7  0.37  molprobity  
 215   215  ?        -155.7  -168.1  Favored     ?   3   4  0.49   5  0.69  molprobity  
 216   216  p        -153.7   165.0  Favored     ?   4   6  0.27   8  0.54  molprobity  
 217   217  p        -129.7    84.5  Favored     ?   7   7  0.17  10  0.73  molprobity  
 218   218  ?         114.6   155.6  Favored     ?   3   4  0.49   6  0.42  molprobity  
 219   219  Cg_endo   -88.2    11.1  Favored     ?   7   8  0.17  11  0.58  molprobity  
 220   220  mmt180    -79.2  -174.5  Favored     ?  13  11  0.19  14  0.40  molprobity  
 221   221  pt-20    -102.1    -2.8  Favored     ?   6   9  0.21  12  0.36  molprobity  
 222   222  p        -106.9    17.6  Favored     ?   5   6  0.21   8  0.19  molprobity  
 223   223  m-20     -113.7     3.1  Favored     ?   4   8  0.20  11  0.41  molprobity  
 224   224  m         -65.5   149.8  Favored     ?   4   6  0.25   8  0.51  molprobity  
 225   225  mt        -76.3   -62.3  Allowed     ?  11   8  0.16  11  0.40  molprobity  
 226   226  OUTLIER  -121.7   148.9  Favored     ?   9   7  0.76  10  0.91  molprobity  
 227   227  m         -96.3   176.7  Favored     ?   4   6  0.79   8  0.68  molprobity  
 228   228  mtp85    -101.8   -63.8  Allowed     ?  13  11  0.57  14  0.57  molprobity  
 229   229  mttp     -106.2   -57.8  Allowed     ?  13   9  0.22  11  0.44  molprobity  
 230   230  m-85     -125.4  -173.1  Favored     ?   9  12  0.29  16  0.31  molprobity  
 231   231  ttt85    -160.6   109.8  Allowed     ?  13  11  0.27  14  0.42  molprobity  
 232   232  t-20      -92.8    47.7  Allowed     ?   6   8  0.20  11  0.74  molprobity  
 233   233  mm-40      69.1   -14.4  Allowed     ?   6   9  0.38  12  0.55  molprobity  
 234   234  ?        -139.6   -23.3  Allowed     ?   5   5  0.40   7  0.88  molprobity  
 235   235  p        -126.6  -169.2  Allowed     ?   7   7  0.30  10  0.73  molprobity  
 236   236  OUTLIER  -147.8   116.8  Favored     ?   4   6  0.94   8  0.91  molprobity  
 237   237  mmmm      -84.8  -168.5  Favored     ?  13   9  0.27  11  0.49  molprobity  
 238   238  t0        -95.5   -43.4  Favored     ?   4   8  0.26  11  0.77  molprobity  
 239   239  p        -131.3   149.0  Favored     ?   7   7  0.24  10  0.73  molprobity  
 240   240  m         -59.1   141.5  Favored     ?   4   6  0.25   9  0.36  molprobity  
 241   241  Cg_exo    -54.0   132.2  Favored     ?   7   8  0.29  12  0.25  molprobity  
 242   242  Cg_exo    -62.2   155.3  Favored     ?   7   8  0.23  11  0.48  molprobity  
 243   243  mt        -81.1   -33.3  Favored     ?  11   8  0.21  11  0.23  molprobity  
 244   244  mtp      -133.1   120.8  Favored     ?   9   8  0.25  10  0.37  molprobity  
 245   245  mt        -89.8   159.6  Favored     ?  11   8  0.20  11  0.54  molprobity  
 246   246  t80       -87.7   168.0  Favored     ?   9  13  0.38  18  0.40  molprobity  
 247   247  t-20     -134.9   113.7  Favored     ?   6   8  0.40  12  0.37  molprobity  
 248   248  Cg_exo    -67.3   -20.5  Favored     ?   7   8  0.30  11  0.40  molprobity  
 249   249  m         -90.9   -57.0  Favored     ?   7   7  0.15  10  0.59  molprobity  
 250   250  p         -79.8    -7.6  Favored     ?   7   7  0.16  10  0.68  molprobity  
 251   251  m-85       56.0    43.1  Favored     ?   9  13  0.40  18  0.33  molprobity  
 252   252  mm100    -142.6   171.7  Favored     1   8   9  0.21  12  0.53  molprobity  
 253   253  mmt       -93.5   145.3  Favored     ?   9   8  0.23  10  0.42  molprobity  
 254   254  m-20     -125.4   145.2  Favored     ?   4   8  0.19  11  0.40  molprobity  
 255   255  t         -70.6   117.3  Favored     ?   9   7  0.34  10  0.41  molprobity  
 256   256  t-20      -73.8   117.1  Favored     ?   6   8  0.24  12  0.37  molprobity  
 257   257  Cg_endo   -70.8   -16.8  Favored     ?   7   8  0.21  11  0.38  molprobity  
 258   258  mm-40    -109.2    32.7  Favored     ?   6   9  0.22  12  0.49  molprobity  
 259   259  ?         -74.3   157.4  Favored     ?   3   4  0.34   5  0.53  molprobity  
 260   260  mmtp     -144.7   147.9  Favored     ?  13   9  0.26  11  0.44  molprobity  
 261   261  m-85      -89.3   129.9  Favored     ?   9  13  0.44  18  0.29  molprobity  
 262   262  p         -79.1   127.5  Favored     ?   5   6  0.24   8  0.29  molprobity  
 263   263  t80      -137.1    93.0  Favored     ?   9  12  0.40  16  0.45  molprobity  
 264   264  ?          77.8  -117.8  Favored     ?   3   4  0.37   5  0.34  molprobity  
 265   265  ?        -112.6    33.2  Favored     ?   5   5  0.18   7  0.31  molprobity  
 266   266  p        -138.4   166.4  Favored     ?   7   7  0.19  10  0.65  molprobity  
 267   267  m        -116.0   115.8  Favored     ?   4   6  0.25   8  0.57  molprobity  
 268   268  m        -109.5   157.7  Favored     ?   9   7  0.30  10  0.50  molprobity  
 269   269  mmtp      -66.8   -49.1  Favored     ?  13   9  0.23  11  0.22  molprobity  
 270   270  ptmm?    -139.2   150.2  Favored     ?  13   9  0.20  11  0.45  molprobity  
 271   271  m         -63.6   160.6  Favored     ?   4   6  0.33   9  0.38  molprobity  
 272   272  Cg_exo    -60.8   170.6  Favored     ?   7   8  0.17  11  0.47  molprobity  
 273   273  mtp-105   -71.7   -36.0  Favored     ?  13  11  0.21  14  0.32  molprobity  
 274   274  p-10     -106.0    19.8  Favored     ?   6   8  0.21  11  0.39  molprobity  
 275   275  m-85     -108.5   138.8  Favored     ?   9  13  0.42  18  0.26  molprobity  
 276   276  t         -66.5   137.7  Favored     ?   9   7  0.35  10  0.42  molprobity  
 277   277  t        -111.4   108.0  Favored     ?   9   7  0.38  10  0.50  molprobity  
 278   278  p         -77.3   165.8  Favored     ?   7   7  0.21  10  0.63  molprobity  
 279   279  m-20      -73.1   -17.9  Favored     ?   4   8  0.18  11  0.27  molprobity  
 280   280  m80       -67.8    -9.1  Favored     ?   7  11  0.17  15  0.45  molprobity  
 281   281  ?          76.8    61.3  Favored     ?   3   4  0.34   5  0.33  molprobity  
 282   282  p        -154.4   130.2  Favored     ?   5   6  0.23   8  0.35  molprobity  
 283   283  m         -83.3   113.7  Favored     ?   4   6  0.29   8  0.38  molprobity  
 284   284  m        -112.4   173.7  Favored     ?   9   7  0.41  10  0.47  molprobity  
 285   285  mtt180    -98.5   -32.8  Favored     ?  13  11  0.20  14  0.40  molprobity  
 286   286  ?        -162.6   121.6  Favored     ?   5   5  0.34   7  0.70  molprobity  
 287   287  p         -82.6   168.1  Favored     ?   4   6  0.49   8  0.60  molprobity  
 288   288  ?         -59.4   177.2  Favored     ?   3   4  0.17   5  0.85  molprobity  
 289   289  ?         -63.0   -49.4  Favored     ?   5   5  0.25   7  0.21  molprobity  
 290   290  p-10      -60.1   -10.1  Favored     ?   4   8  0.23  11  0.46  molprobity  
 291   291  t        -116.7   164.1  Favored     ?   5   6  0.26   8  0.47  molprobity  
 292   292  p90      -138.1   135.3  Favored     ?   9  13  0.30  18  0.42  molprobity  
 293   293  tt0       -66.5   149.3  Favored     ?   6   9  0.28  12  0.37  molprobity  
 294   294  ppp?     -163.4   143.4  Favored     ?   9   8  0.25  10  0.42  molprobity  
 295   295  tm-20     -75.0   149.1  Favored     ?   6   9  0.28  12  0.42  molprobity  
 296   296  tm-20    -155.8   107.4  Favored     ?   6   9  0.25  12  0.43  molprobity  
 297   297  m-20       58.5    51.3  Favored     ?   4   8  0.16  11  0.35  molprobity  
 298   298  ?          84.3   -44.1  Favored     ?   3   4  0.27   5  0.18  molprobity  
 299   299  m         -89.8   152.2  Favored     ?   9   7  0.26  10  0.43  molprobity  
 300   300  mmm180    -87.1   129.3  Favored     ?  13  11  0.20  14  0.34  molprobity  
 301   301  mtpp     -130.8  -171.7  Favored     ?  13   9  0.26  11  0.42  molprobity  
 302   302  p        -151.3   128.3  Favored     ?   4   6  0.39   8  0.99  molprobity  
 303   303  pttp     -105.8   169.1  Favored     ?  13   9  0.22  11  0.42  molprobity  
 304   304  mmtt      -64.7   154.8  Favored     ?  13   9  0.25  11  0.41  molprobity  
 305   305  m         -67.1   146.7  Favored     ?   4   6  0.20   8  0.49  molprobity  
 306   306  pp20?     -68.0   -12.4  Favored     ?   6   9  0.33  12  0.46  molprobity  
 307   307  ?         168.9  -129.7  Allowed     ?   3   4  0.52   6  0.64  molprobity  
 308   308  Cg_exo    -61.2   125.7  Favored     ?   7   8  0.18  11  0.38  molprobity  
 309   309  m         -78.5   150.6  Favored     ?   4   6  0.21   8  0.42  molprobity  
 310   310  ptm180    -71.4  -179.9  Favored     ?  13  11  0.21  14  0.48  molprobity  
 311   311  tptt      -65.8   113.6  Favored     ?  13   9  0.24  11  0.32  molprobity  
 312   312  p         -97.7   130.5  Favored     ?   9   7  0.23  10  0.39  molprobity  
 313   313  m        -116.5   134.1  Favored     ?   4   6  0.40   8  0.32  molprobity  
 314   314  m-20      -98.2   156.8  Favored     ?   6   8  0.20  11  0.31  molprobity  
 315   315  ?        -105.5   172.3  Favored     ?   3   4  0.50   5  0.69  molprobity  
 316   316  mm        -62.2   142.0  Favored     ?  11   8  0.31  11  0.47  molprobity  
 317   317  ?          83.7    10.7  Favored     ?   3   4  0.31   5  0.65  molprobity  
 318   318  tt       -152.9   161.2  Favored     ?  11   8  0.19  11  0.57  molprobity  
 319   319  ?          69.1  -130.6  Favored     ?   3   4  0.18   5  0.53  molprobity  
 320   320  pm0       -84.8   -12.8  Favored     ?   6   9  0.27  12  0.38  molprobity  
 321   321  m-85      -93.3    52.3  Allowed     ?   9  12  0.37  16  0.30  molprobity  
 322   322  mmmt      -78.0   -40.4  Favored     ?  13   9  0.23  11  0.22  molprobity  
 323   323  m-20     -107.9   -10.0  Favored     ?   4   8  0.20  11  0.47  molprobity  
 324   324  p         -66.4   135.8  Favored     ?   5   6  0.24   8  0.34  molprobity  
 325   325  pt?      -113.3    -1.4  Favored     ?  11   8  0.19  11  0.74  molprobity  
 326   326  t        -148.3  -173.7  Favored     ?   5   6  0.26   8  0.55  molprobity  
 327   327  mt        -91.7    88.5  Favored     ?  11   8  0.39  11  0.94  molprobity  
 328   328  m-20      -63.1   168.5  Favored     ?   6   8  0.21  11  0.48  molprobity  
 329   329  ?         -75.0    -2.5  Favored     ?   5   5  0.26   7  0.35  molprobity  
 330   330  m         -95.2   -40.5  Favored     ?   7   7  0.16  10  0.42  molprobity  
 331   331  p-10     -100.0    18.4  Favored     ?   6   8  0.20  11  0.35  molprobity  
 332   332  tp        -78.5   -28.3  Favored     ?  11   8  0.19  11  0.32  molprobity  
 333   333  pttm      -69.3   -30.8  Favored     ?  13   9  0.21  11  0.27  molprobity  
 334   334  m80       -66.0    -4.7  Favored     ?   7  11  0.17  15  0.36  molprobity  
 335   335  m-85     -105.2    32.4  Favored     ?   9  12  0.34  16  0.18  molprobity  
 336   336  tppp?     -64.7   -53.7  Favored     ?  13   9  0.26  11  0.25  molprobity  
 337   337  m-20     -127.6    46.5  Favored     ?   6   8  0.24  11  0.40  molprobity  
 338   338  m         -80.4   152.1  Favored     ?   4   6  0.35   8  0.46  molprobity  
 339   339  p        -131.3     0.5  Favored     ?   7   7  0.22  10  0.61  molprobity  
 340   340  p        -158.5   108.2  Favored     ?   5   6  0.23   8  0.57  molprobity  
 341   341  mm        -80.6    93.1  Favored     ?  11   8  0.27  11  0.42  molprobity  
 342   342  p         -71.0    92.2  Allowed     ?   5   6  0.20   8  0.43  molprobity  
 343   343  ?         151.3  -124.5  Allowed     ?   3   4  0.43   5  0.61  molprobity  
 344   344  p-10     -168.3   159.6  Favored     ?   4   8  0.36  11  0.78  molprobity  
 345   345  mt       -115.5   117.7  Favored     ?  11   8  0.23  11  0.36  molprobity  
 346   346  m170     -106.0   140.6  Favored     ?   7  11  0.23  15  0.40  molprobity  
 347   347  mt       -135.5   101.6  Favored     ?  11   8  0.41  11  0.75  molprobity  
 348   348  mp       -106.9   162.4  Favored     ?  11   8  0.18  12  0.43  molprobity  
 349   349  Cg_exo    -69.4   -13.6  Favored     ?   7   8  0.30  11  0.47  molprobity  
 350   350  p         -72.2   -24.6  Favored     ?   9   7  0.34  10  0.38  molprobity  
 351   351  ?         -66.7   -36.1  Favored     ?   5   5  0.25   7  0.21  molprobity  
 352   352  m-85      -87.4     3.2  Favored     ?   9  12  0.35  16  0.38  molprobity  
 353   353  ptt180   -126.4   -29.9  Favored     ?  13  11  0.15  14  0.42  molprobity  
 354   354  ?          85.9   120.7  Allowed     ?   3   4  0.34   5  0.23  molprobity  
 355   355  p-10      -91.3   127.9  Favored     ?   4   8  0.23  11  0.32  molprobity  
 356   356  t         -74.5    -3.2  Favored     ?   5   6  0.25   8  0.31  molprobity  
 357   357  t80       -69.9   -60.8  Favored     ?   9  12  0.35  16  0.27  molprobity  
 358   358  p         -86.9    13.0  Favored     ?   7   7  0.18  10  0.63  molprobity  
 359   359  m80        53.5    63.8  Favored     ?   7  11  0.15  15  0.37  molprobity  
 360   360  m        -120.8   125.6  Favored     ?   7   7  0.34  11  0.59  molprobity  
 361   361  Cg_endo   -74.4   163.7  Favored     ?   7   8  0.31  12  0.26  molprobity  
 362   362  Cg_exo    -70.6   137.1  Favored     ?   7   8  0.22  11  0.31  molprobity  
 363   363  tt        -70.5   154.2  Favored     ?  11   8  0.17  11  0.71  molprobity  
 364   364  t0       -100.7   120.0  Favored     ?   4   8  0.31  12  0.46  molprobity  
 365   365  Cg_exo    -50.3   -40.8  Favored     ?   7   8  0.24  11  0.39  molprobity  
 366   366  mp0       -70.9    -0.4  Favored     ?   8   9  0.24  12  0.46  molprobity  
 367   367  tt0       -89.4    -3.8  Favored     ?   6   9  0.18  12  0.37  molprobity  
 368   368  mt        -70.7   -20.7  Favored     ?  11   8  0.16  11  0.46  molprobity  
 369   369  m-20      -59.4   -10.9  Favored     ?   4   8  0.18  11  0.38  molprobity  
 370   370  mt        -59.4   -29.1  Favored     ?  11   8  0.29  11  0.38  molprobity  
 371   371  mt        -82.5    -0.3  Favored     ?  11   8  0.16  11  0.54  molprobity  
 372   372  mttt      -62.0   -20.0  Favored     ?  13   9  0.21  11  0.36  molprobity  
 373   373  p         -88.0    -7.5  Favored     ?   7   7  0.15  10  0.68  molprobity  
 374   374  t         -69.6   128.6  Favored     ?   9   7  0.36  10  0.37  molprobity  
 375   375  mtpp     -116.4    -2.5  Favored     ?  13   9  0.24  11  0.54  molprobity  
 376   376  pt-20    -166.0   160.2  Favored     ?   6   9  0.24  12  0.57  molprobity  
 377   377  mt       -138.7   114.8  Favored     ?  11   8  0.30  11  0.61  molprobity  
 378   378  p         -79.0     2.8  Favored     ?   7   7  0.15  10  0.80  molprobity  
 379   379  ?        -119.9  -108.6  Favored     ?   3   4  0.31   5  0.09  molprobity  
 380   380  p90      -140.9   167.2  Favored     ?   9  12  0.38  16  0.39  molprobity  
 381   381  tp       -122.1   107.7  Favored     ?  11   8  0.22  11  0.47  molprobity  
 382   382  tp       -107.7   107.6  Favored     ?  11   8  0.23  11  0.43  molprobity  
 383   383  mt       -108.3   116.0  Favored     ?  11   8  0.38  11  0.49  molprobity  
 384   384  tt0      -121.9   -11.2  Favored     ?   8   9  0.30  12  0.55  molprobity  
 385   385  ?        -148.0   159.9  Favored     ?   5   5  0.27   7  0.72  molprobity  
 386   386  t-105    -161.6   147.7  Favored     ?  10  16  0.24  24  0.31  molprobity  
 387   387  Cg_exo    -58.1   148.8  Favored     ?   7   8  0.14  11  0.33  molprobity  
 388   388  mm-40     -79.9   -34.0  Favored     ?   6   9  0.24  12  0.32  molprobity  
 389   389  m-20      -60.5   -37.9  Favored     ?   6   8  0.24  11  0.23  molprobity  
 390   390  mmt180    -64.9   160.0  Favored     ?  13  11  0.21  14  0.44  molprobity  
 391   391  p        -120.8   -24.6  Favored     ?   7   7  0.21  10  0.71  molprobity  
 392   392  p-10     -130.2   167.3  Favored     ?   4   8  0.19  11  0.44  molprobity  
 393   393  mt        -74.5    84.2  Allowed     ?  11   8  0.22  11  0.66  molprobity  
 394   394  p-80      -77.2   -27.6  Favored     ?   7  11  0.16  15  0.31  molprobity  
 395   395  ?         -76.7   -10.9  Favored     ?   5   5  0.22   7  0.36  molprobity  
 396   396  m-85     -112.1    27.9  Favored     ?   9  12  0.38  16  0.23  molprobity  
 397   397  tt0       -67.8    -5.0  Favored     ?   6   9  0.26  12  0.46  molprobity  
 398   398  m-20     -124.2     3.7  Favored     ?   6   8  0.23  11  0.49  molprobity  
 399   399  tp        -63.2   140.1  Favored     ?  11   8  0.27  11  0.45  molprobity  
 400   400  mt-10    -128.9   -31.8  Favored     ?   6   9  0.21  12  0.47  molprobity  
 401   401  mt       -143.0   131.4  Favored     ?  11   8  0.26  11  0.47  molprobity  
 402   402  mt       -114.0   117.6  Favored     ?  11   8  0.34  11  0.66  molprobity  
 403   403  mmt85     -77.3   -31.6  Favored     ?  13  11  0.25  14  0.48  molprobity  
 404   404  ?          64.6    42.4  Favored     ?   3   4  0.31   5  0.27  molprobity  
 405   405  mtt180    -76.4   -55.6  Favored     ?  13  11  0.27  14  0.38  molprobity  
 406   406  t        -101.4   139.9  Favored     ?   7   7  0.21  10  0.49  molprobity  
 407   407  mtmm     -129.0   156.6  Favored     ?  13   9  0.21  11  0.34  molprobity  
 408   408  tp60      -82.2   134.0  Favored     ?   8   9  0.24  12  0.34  molprobity  
 409   409  m-70       55.0    21.2  Favored     ?   7  11  0.16  15  0.28  molprobity  
 410   410  ?          71.8    -4.7  Favored     ?   3   4  0.43   5  0.76  molprobity  
 411   411  tt0      -120.3   -47.0  Favored     ?   8   9  0.22  12  0.45  molprobity  
 412   412  m-85      -91.3   150.7  Favored     ?   9  12  0.48  16  0.40  molprobity  
 413   413  t        -124.0   -30.9  Favored     ?   5   6  0.31   8  0.46  molprobity  
 414   414  tp       -122.5   141.2  Favored     ?  11   8  0.22  11  0.43  molprobity  
 415   415  ?        -154.3   110.5  Favored     ?   5   5  0.26   7  0.52  molprobity  
 416   416  t        -123.7    93.1  Favored     ?   9   7  0.39  10  0.69  molprobity  
 417   417  m        -119.3   133.8  Favored     ?   9   7  0.43  10  0.52  molprobity  
 418   418  t          60.5    60.7  Allowed     ?   5   6  0.28   8  0.48  molprobity  
 419   419  mt       -116.2  -178.7  Favored     ?  11   8  0.20  11  0.52  molprobity  
 420   420  t-20     -114.7    15.0  Favored     ?   6   8  0.24  11  0.26  molprobity  
 421   421  pt        -65.9   156.9  Favored     ?  11   8  0.28  11  0.46  molprobity  
 422   422  m        -101.6   -21.5  Favored     ?   7   7  0.19  10  0.56  molprobity  
 423   423  p        -160.9   138.6  Favored     ?   5   6  0.21   8  0.53  molprobity  
 424   424  mt        -56.4   -62.9  Allowed     ?  11   8  0.16  11  0.49  molprobity  
 425   425  ?          73.9    45.5  Favored     ?   3   4  0.33   5  0.33  molprobity  
 426   426  mt       -100.5    38.3  Allowed     ?  11   8  0.18  11  0.53  molprobity  
 427   427  ptp85     -51.9   -14.6  Allowed     ?  13  11  0.23  14  0.55  molprobity  
 428   428  t        -103.8     0.8  Favored     ?   5   6  0.25   8  0.44  molprobity  
 429   429  tp        -67.9   131.7  Favored     ?  11   8  0.18  11  0.26  molprobity  
 430   430  mttm     -140.2     7.8  Favored     ?  13   9  0.23  11  0.54  molprobity  
 431   431  mm-40    -157.1   136.2  Favored     ?   6   9  0.25  12  0.47  molprobity  
 432   432  mt       -133.0    95.0  Allowed     ?  11   8  0.31  11  0.79  molprobity  
 433   433  m         -72.9   -15.4  Favored     ?   5   6  0.21   8  0.45  molprobity  
 434   434  t0       -162.8   167.9  Favored     ?   4   8  0.15  11  0.45  molprobity  
 435   435  ?          76.2   163.6  Favored     ?   3   4  0.33   5  0.26  molprobity  
 436   436  m-20      -86.1  -170.0  Favored     ?   4   8  0.25  11  0.41  molprobity  
 437   437  t        -142.7   123.9  Favored     ?   9   7  0.33  10  0.50  molprobity  
 438   438  tt       -123.0   120.1  Favored     ?  11   8  0.26  11  0.47  molprobity  
 439   439  mt       -132.8    93.5  Allowed     ?  11   8  0.34  11  0.72  molprobity  
 440   440  p        -149.9   160.3  Favored     ?   5   6  0.28   8  0.34  molprobity  
 441   441  ?          82.1   -13.2  Favored     ?   3   4  0.55   5  0.45  molprobity  
 442   442  m-20      -67.6   106.8  Favored     ?   6   8  0.19  11  0.45  molprobity  
 443   443  tppt?     -62.9   -35.5  Favored     ?  13   9  0.30  11  0.32  molprobity  
 444   444  p30      -135.0    85.2  Favored     ?   6   8  0.19  11  0.45  molprobity  
 445   445  tp       -140.3    96.6  Favored     ?  11   8  0.26  11  0.49  molprobity  
 446   446  m         -86.3   175.3  Favored     ?   4   6  0.17   8  0.67  molprobity  
 447   447  m-85       70.4     1.5  Favored     ?   9  13  0.54  18  0.49  molprobity  
 448   448  ?         -72.8   -28.9  Favored     ?   5   5  0.24   7  0.34  molprobity  
 449   449  p30      -113.6    31.3  Favored     ?   6   8  0.16  11  0.29  molprobity  
 450   450  p        -102.6   -28.6  Favored     ?   7   7  0.21  10  0.65  molprobity  
 451   451  mm        -61.2   151.4  Favored     ?  11   8  0.31  11  0.42  molprobity  
 452   452  t30      -102.4    92.8  Favored     ?   6   8  0.17  11  0.74  molprobity  
 453   453  m95       -63.3   -19.2  Favored     ?  10  16  0.18  23  0.28  molprobity  
 454   454  mtpp      -66.8   -11.6  Favored     ?  13   9  0.21  11  0.41  molprobity  
 455   455  mtmm      -87.2   -21.8  Favored     ?  13   9  0.25  11  0.35  molprobity  
 456   456  mt        -82.6   -34.8  Favored     ?  11   8  0.20  11  0.33  molprobity  
 457   457  m-30      -65.4   135.2  Favored     ?   9  12  0.35  16  0.24  molprobity  
 458   458  ?        -111.2    23.3  Favored     ?   3   4  0.30   5  0.10  molprobity  
 459   459  m        -151.8   157.3  Favored     ?   7   7  0.24  10  0.59  molprobity  
 460   460  p         -90.4   141.1  Favored     ?   5   6  0.22   8  0.27  molprobity  
 461   461  ?         107.6   -19.1  Favored     ?   3   4  0.43   5  0.44  molprobity  
 462   462  mt-30     -68.2   119.5  Favored     1   8   9  0.37  12  0.31  molprobity  
 463   463  mtmm      -91.8  -169.8  Favored     ?  13   9  0.27  11  0.43  molprobity  
 464   464  t        -157.3   142.1  Favored     ?   7   7  0.19  10  0.64  molprobity  
 465   465  ttpt     -129.0   100.3  Favored     ?  13   9  0.26  11  0.38  molprobity  
 466   466  mp       -114.5   113.7  Favored     ?  11   8  0.29  11  0.54  molprobity  
 467   467  pt       -141.8   162.0  Favored     ?  11   8  0.17  11  0.75  molprobity  
 468   468  m          51.0    27.6  Favored     ?   5   6  0.24   8  0.39  molprobity  
 469   469  m-80      -81.4  -167.9  Allowed     ?   6   8  0.21  11  0.61  molprobity  
 470   470  ttt85     -66.0   131.4  Favored     ?  13  11  0.20  14  0.41  molprobity  
 471   471  ?         -68.9   144.8  Favored     ?   3   4  0.29   5  0.56  molprobity  
 472   472  mm-40     -81.5    48.4  Allowed     ?   6   9  0.38  12  0.64  molprobity  
 473   473  p30      -130.2   -36.6  Allowed     ?   6   8  0.27  11  0.21  molprobity  
 474   474  t         -79.2   -22.9  Favored     ?   5   6  0.23   8  0.37  molprobity  
 475   475  m         -64.0   -47.7  Favored     ?   4   6  0.16   8  0.53  molprobity  
 476   476  mtpp      -71.5   -36.5  Favored     ?  13   9  0.25  11  0.22  molprobity  
 477   477  ?         -60.7   -63.7  Allowed     ?   5   5  0.28   7  0.38  molprobity  
 478   478  m         -56.6   -37.7  Favored     ?   7   7  0.71  10  0.57  molprobity  
 479   479  ?         112.5    14.0  Favored     ?   3   4  0.85   5  1.01  molprobity  
 480   480  OUTLIER   -76.5    74.8  Favored     ?   8   9  0.61  12  0.54  molprobity  
 481   481  p        -133.0   160.9  Favored     ?   9   7  0.87  10  1.04  molprobity  
 482   482  OUTLIER   -75.6   168.5  Favored     ?   4   6  0.88   8  0.82  molprobity  
 483   483  t-80      -60.0   135.6  Favored     ?   7  11  0.61  15  0.52  molprobity  
 484   484  ?         -59.9   -14.9  Favored     ?   5   5  0.27   7  0.21  molprobity  
 485   485  tp        -81.9    19.2  Allowed     ?  11   8  0.22  11  0.65  molprobity  
 486   486  m        -122.6  -175.7  Favored     ?   4   6  0.47   8  0.55  molprobity  
 487   487  p        -106.3   166.9  Favored     ?   5   6  0.31   9  0.27  molprobity  
 488   488  Cg_endo   -74.9    11.7  Allowed     ?   7   8  0.17  11  0.23  molprobity  
 489   489  tt0       -73.1   -39.2  Favored     ?   6   9  0.26  12  0.45  molprobity  
 490   490  ?         159.1   175.9  Favored     ?   3   4  0.26   5  0.77  molprobity  
 491   491  p        -169.5   135.1  Allowed     ?   4   6  0.43   8  0.43  molprobity  
 492   492  m95      -100.2    10.4  Favored     ?  10  16  0.21  23  0.43  molprobity  
 493   493  ?         166.7  -176.6  Favored     ?   3   4  0.42   6  0.34  molprobity  
 494   494  Cg_endo   -83.6   -26.9  Allowed     ?   7   8  0.15  11  0.33  molprobity  
 495   495  mt-10     -69.0   151.9  Favored     ?   6   9  0.26  13  0.27  molprobity  
 496   496  Cg_exo    -62.8   -25.2  Favored     ?   7   8  0.27  11  0.27  molprobity  
 497   497  ptt85     -78.9    11.9  Favored     ?  13  11  0.17  14  0.37  molprobity  
 498   498  m-20     -112.8     8.5  Favored     ?   4   8  0.21  11  0.31  molprobity  
 499   499  m         -99.6   144.7  Favored     ?   4   6  0.38   8  0.62  molprobity  
 500   500  m         -67.0    -6.0  Favored     ?   9   7  0.76  10  0.74  molprobity  
 501   501  OUTLIER  -162.4   173.5  Favored     ?   5   6  0.90   8  0.89  molprobity  
 502   502  m        -134.8   132.8  Favored     ?   4   6  0.19   8  0.49  molprobity  
 503   503  ptp180    -76.6   -33.2  Favored     ?  13  11  0.20  14  0.37  molprobity  
 504   504  m-20     -114.9   -59.2  Favored     ?   6   8  0.25  11  0.36  molprobity  
 505   505  m        -153.7   148.7  Favored     ?   9   7  0.25  10  0.57  molprobity  
 506   506  p        -119.6   108.1  Favored     ?   5   6  0.16   8  0.31  molprobity  
 507   507  ttm-85    -78.1    75.0  Favored     ?  13  11  0.22  14  0.56  molprobity  
 508   508  ?          87.4   -97.7  Favored     ?   3   4  0.32   5  0.26  molprobity  
 509   509  tpt85    -101.7   -39.9  Favored     ?  13  11  0.15  14  0.39  molprobity  
 510   510  pt-20     -79.5  -169.6  Allowed     ?   6   9  0.27  12  0.47  molprobity  
 511   511  m        -126.7   136.5  Favored     ?   4   6  0.39   8  0.53  molprobity  
 512   512  t        -128.3   165.0  Favored     ?   9   7  0.21  10  0.56  molprobity  
 513   513  p-10      -84.8   -24.1  Favored     ?   4   8  0.16  11  0.43  molprobity  
 514   514  ptmt     -160.5   132.7  Favored     ?  13   9  0.21  11  0.31  molprobity  
 515   515  m         -72.4   120.9  Favored     ?   4   6  0.17   8  0.96  molprobity  
 516   516  OUTLIER   -69.8   104.2  Favored     ?   6   8  0.66  11  0.62  molprobity  
 517   517  OUTLIER  -103.9    -4.2  Favored     ?  11   8  0.58  11  0.70  molprobity  
 518   518  mm?      -115.3   -19.9  Favored     ?  11   8  0.28  11  0.92  molprobity  
 519   519  tt0      -168.2  -177.5  Favored     ?   6   9  0.25  12  0.46  molprobity  
 520   520  ?          79.9  -146.1  Favored     ?   3   4  0.23   5  0.88  molprobity  
 521   521  tm-20     -49.5   149.2  Favored     ?   6   9  0.43  13  0.58  molprobity  
 522   522  Cg_exo    -37.9   133.4  Allowed     ?   7   8  0.36  11  0.51  molprobity  
 523   523  mmt85     -59.5   155.7  Favored     ?  13  11  0.21  14  0.44  molprobity  
 524   524  mt-10    -132.1   179.6  Favored     ?   6   9  0.27  12  0.45  molprobity  
 525   525  p90      -148.9   139.4  Favored     ?   9  12  0.38  16  0.37  molprobity  
 526   526  m         -74.5   144.3  Favored     ?   9   7  0.29  10  0.45  molprobity  
 527   527  pp20?    -157.7   118.7  Favored     ?   6   9  0.23  12  0.71  molprobity  
 528   528  m120       52.7    32.0  Favored     ?   6   8  0.19  11  0.89  molprobity  
 529   529  p          79.6    -0.2  Favored     ?   5   6  0.38   8  1.08  molprobity  
 530   530  mp0       -73.9   178.1  Favored     ?   6   9  0.26  12  0.45  molprobity  
 531   531  m        -131.0   114.5  Favored     ?   4   6  0.20   8  1.08  molprobity  
 532   532  mp       -119.0   124.2  Favored     ?  11   8  0.26  11  0.43  molprobity  
 533   533  mp0       -64.0   155.4  Favored     ?   8   9  0.23  12  0.46  molprobity  
 534   534  m         -70.2   165.2  Favored     ?   4   6  0.26   8  0.54  molprobity  
 535   535  t-80      -60.5   144.7  Favored     ?   7  11  0.18  16  0.31  molprobity  
 536   536  Cg_exo    -52.9   -32.0  Favored     ?   7   8  0.25  11  0.54  molprobity  
 537   537  pm0       -93.5    -1.2  Favored     ?   6   9  0.23  12  0.57  molprobity  
 538   538  m         -66.6   134.9  Favored     ?   4   6  0.20   8  0.98  molprobity  
 539   539  tp        -90.7   127.7  Favored     ?  11   8  0.33  12  0.34  molprobity  
 540   540  Cg_endo   -75.5   155.1  Favored     ?   7   8  0.12  11  0.45  molprobity  
 541   541  mp0      -142.7   155.2  Favored     ?   8   9  0.21  12  0.57  molprobity  
 542   542  ?         -82.5    54.2  Favored     ?   5   5  0.22   7  1.01  molprobity  
 543   543  mmt      -149.5  -160.0  Allowed     ?   9   8  0.23  10  0.84  molprobity  
 544   544  m-20      -66.3  -176.4  Allowed     ?   6   8  0.20  11  0.29  molprobity  
 545   545  mt        -47.2   135.4  Favored     ?  11   8  0.20  11  0.36  molprobity  
 546   546  m         -79.5   -44.6  Favored     ?   7   7  0.19  10  0.41  molprobity  
 547   547  p        -152.6   149.8  Favored     ?   4   6  0.28   8  0.52  molprobity  
 548   548  t        -113.6    22.7  Favored     ?   7   7  0.19  10  0.63  molprobity  
 549   549  ?        -164.1   170.0  Favored     ?   3   4  0.18   5  0.72  molprobity  
 550   550  OUTLIER   -77.7   -51.9  Favored     ?  13  11  0.16  14  0.33  molprobity  
 551   551  ?         -60.0   161.8  Favored     ?   3   4  0.41   6  0.41  molprobity  
 552   552  Cg_endo   -70.6    -3.4  Favored     ?   7   8  0.21  11  0.42  molprobity  
 553   553  t0        -78.3    15.2  Allowed     ?   4   8  0.20  11  0.33  molprobity  
 554   554  m120     -133.6    -6.8  Favored     ?   6   8  0.28  11  0.66  molprobity  
 555   555  m         -64.1   121.2  Favored     ?   4   6  0.30   8  0.75  molprobity  
 556   556  mm        -56.6   -38.7  Favored     ?  11   8  0.22  11  0.28  molprobity  
 557   557  tt0      -154.4   153.9  Favored     ?   8   9  0.22  12  0.47  molprobity  
 558   558  p        -132.9   128.7  Favored     ?   4   6  0.24   8  0.55  molprobity  
 559   559  ?         -68.1     3.6  Allowed     ?   5   5  0.35   7  0.50  molprobity  
 560   560  m170     -117.3  -171.9  Favored     ?   7  11  0.20  15  0.44  molprobity  
 561   561  m-30      -76.0   167.9  Favored     ?   9  13  0.28  18  0.40  molprobity  
 562   562  tt       -146.8   141.5  Favored     ?  11   8  0.20  11  0.39  molprobity  
 563   563  t70      -112.7    93.3  Favored     ?   4   8  0.27  11  0.66  molprobity  
 564   564  ?          55.9  -109.7  Allowed     ?   3   4  0.45   6  0.37  molprobity  
 565   565  Cg_endo   -61.2   -44.0  Favored     ?   7   8  0.31  11  0.43  molprobity  
 566   566  m80      -115.5   140.5  Favored     ?   7  11  0.13  15  0.29  molprobity  
 567   567  m         -86.6   144.3  Favored     ?   4   6  0.25   8  0.57  molprobity  
 568   568  t        -138.3   140.5  Favored     ?   9   7  0.18  10  0.46  molprobity  
 569   569  mtmt      -54.8   -37.7  Favored     ?  13   9  0.25  11  0.24  molprobity  
 570   570  m        -149.6   117.1  Favored     ?   7   7  0.19  10  0.74  molprobity  
 571   571  m         -51.6   142.2  Favored     ?   4   6  0.24   9  0.37  molprobity  
 572   572  Cg_exo    -58.1   156.6  Favored     ?   7   8  0.14  11  0.56  molprobity  
 573   573  ?        -135.6    52.0  Favored     ?   5   5  0.23   7  0.75  molprobity  
 574   574  ?         144.3     2.1  Allowed     ?   3   4  0.21   5  0.52  molprobity  
 575   575  p         -56.2   141.2  Favored     ?   9   7  0.23  10  0.36  molprobity  
 576   576  tpp       -73.7   130.2  Favored     ?   9   8  0.29  10  0.62  molprobity  
 577   577  ?        -108.7  -131.2  Favored     ?   3   4  0.28   5  0.26  molprobity  
 578   578  tp10     -108.6   131.4  Favored     ?   6   9  0.37  12  0.50  molprobity  
 579   579  m-20       58.4    50.6  Favored     ?   6   8  0.20  11  0.61  molprobity  
 580   580  t30        67.4    -0.2  Allowed     ?   6   8  0.33  11  0.45  molprobity  
 581   581  p         -70.6   110.8  Favored     ?   7   7  0.21  10  0.51  molprobity  
 582   582  mp        -79.0   141.3  Favored     ?  11   8  0.24  11  0.54  molprobity  
 583   583  t         -88.1   132.1  Favored     ?   9   7  0.22  10  0.40  molprobity  
 584   584  m95      -118.6   109.8  Favored     ?  10  16  0.18  23  0.29  molprobity  
 585   585  mttp     -112.5   158.3  Favored     ?  13   9  0.23  11  0.33  molprobity  
 586   586  p90      -147.0   177.0  Favored     ?   9  13  0.26  18  0.42  molprobity  
 587   587  ?         -74.0   162.2  Favored     ?   5   5  0.27   7  0.48  molprobity  
 588   588  t0       -162.8   150.6  Favored     ?   4   8  0.15  11  0.46  molprobity  
 589   589  ?         -65.1   -37.0  Favored     ?   5   5  0.29   7  0.37  molprobity  
 590   590  ?         -73.0     2.4  Favored     ?   3   4  0.22   5  0.76  molprobity  
 591   591  m-70       69.8    -4.6  Allowed     ?   7  11  0.17  15  0.21  molprobity  
 592   592  p         -90.3   141.7  Favored     ?   9   7  0.22  10  0.38  molprobity  
 593   593  m         -96.1   129.6  Favored     ?   4   6  0.20   8  0.34  molprobity  
 594   594  m-70     -110.0   165.3  Favored     ?   7  11  0.15  15  0.34  molprobity  
 595   595  tp        -84.7   125.7  Favored     ?  11   8  0.21  11  0.27  molprobity  
 596   596  m         -74.6  -178.0  Favored     ?   4   6  0.34   8  0.65  molprobity  
 597   597  m-70      -91.6   110.4  Favored     1   7  11  0.28  16  0.45  molprobity  
 598   598  Cg_exo    -65.7     4.4  Allowed     ?   7   8  0.25  11  0.52  molprobity  
 599   599  m-80      -68.7    -6.3  Favored     1   6   8  0.26  11  0.47  molprobity  
 600   600  p        -129.6    90.3  Favored     ?   4   6  0.18   8  1.29  molprobity  
 601   601  p         -68.3     2.9  Allowed     ?   7   7  0.19  10  0.76  molprobity  
 602   602  m-30      -80.7    16.4  Allowed     ?   9  13  0.25  18  0.41  molprobity  
 603   603  ?          83.1   130.7  Allowed     ?   3   4  0.32   5  0.32  molprobity  
 604   604  p         -98.6   136.0  Favored     ?   4   6  0.20   8  0.53  molprobity  
 605   605  p         -99.9     7.8  Favored     ?   7   7  0.21  10  0.57  molprobity  
 606   606  ?        -163.5   169.3  Favored     ?   3   4  0.53   6  0.46  molprobity  
 607   607  Cg_exo    -66.0   157.1  Favored     ?   7   8  0.20  11  0.35  molprobity  
 608   608  ?          71.4  -126.4  Favored     ?   3   4  0.27   5  0.25  molprobity  
 609   609  mt       -129.9   -18.0  Favored     ?  11   8  0.17  11  0.54  molprobity  
 610   610  pm0       -74.3    -5.5  Favored     ?   6   9  0.25  12  0.50  molprobity  
 611   611  ?         -82.1   -30.5  Favored     ?   3   4  0.32   5  0.34  molprobity  
 612   612  p         -71.8   116.3  Favored     ?   4   6  0.30   9  0.47  molprobity  
 613   613  Cg_exo    -66.9   163.9  Favored     ?   7   8  0.15  11  0.47  molprobity  
 614   614  m             ?       ?  ?           ?   7   6  0.63   7  0.44  molprobity  
 615   615  tp10          ?       ?  ?           ?   5   9  0.23  12  0.40  molprobity  
 616   616  m         -78.3   141.1  Favored     ?   4   6  0.23   9  0.32  molprobity  
 617   617  Cg_endo   -64.8   173.3  Favored     ?   7   8  0.19  11  0.43  molprobity  
 618   618  tt        -67.8   -20.7  Favored     ?  11   8  0.20  11  0.63  molprobity  
 619   619  p         -63.1   -47.6  Favored     ?   5   6  0.22   8  0.28  molprobity  
 620   620  m80       -93.6    73.9  Favored     ?   7  11  0.23  15  0.44  molprobity  
 621   621  p-10     -123.6   137.0  Favored     ?   4   8  0.19  11  0.55  molprobity  
 622   622  ?          66.3     3.5  Favored     ?   3   4  0.44   5  0.41  molprobity  
 623   623  t80       -65.3   -29.6  Favored     ?   9  13  0.33  18  0.40  molprobity  
 624   624  OUTLIER   -91.7   121.5  Favored     ?   4   6  0.73   8  0.98  molprobity  
 625   625  mt        -74.5   -68.9  Allowed     ?  11   8  0.71  11  0.71  molprobity  
 626   626  m-70      -79.5    72.5  Favored     ?   7  11  0.63  15  0.75  molprobity  
 627   627  m-20       51.8    12.6  Allowed     ?   4   8  0.14  11  0.52  molprobity  
 628   628  ?         -74.3   143.4  Favored     ?   3   4  0.44   5  0.54  molprobity  
 629   629  p         -88.7   125.9  Favored     ?   9   7  0.37  10  0.38  molprobity  
 630   630  t         -67.3   151.7  Favored     ?   4   6  0.22   8  0.49  molprobity  
 631   631  ptt?     -145.5   149.9  Favored     ?   9   8  0.22  10  0.56  molprobity  
 632   632  t80      -108.4   123.0  Favored     ?   9  13  0.36  18  0.36  molprobity  
 633   633  mt        -89.6   115.3  Favored     ?  11   8  0.27  11  0.46  molprobity  
 634   634  pm0       -72.1   -39.9  Favored     ?   6   9  0.23  12  0.39  molprobity  
 635   635  ?         -62.2   -44.8  Favored     ?   5   5  0.27   7  0.27  molprobity  
 636   636  mt        -97.5    -2.2  Favored     ?  11   8  0.17  11  0.40  molprobity  
 637   637  m-20       56.3    32.7  Favored     ?   4   8  0.15  11  0.28  molprobity  
 638   638  mttt     -123.4   169.2  Favored     ?  13   9  0.22  11  0.45  molprobity  
 639   639  m-85     -109.7   152.1  Favored     ?   9  13  0.32  18  0.28  molprobity  
 640   640  ?        -154.4   169.6  Favored     ?   5   5  0.32   7  0.63  molprobity  
 641   641  m         -99.0   171.7  Favored     ?   4   6  0.80   8  0.66  molprobity  
 642   642  t-20     -134.7    51.4  Favored     ?   6   8  0.17  11  0.55  molprobity  
 643   643  m         -41.9   139.3  Allowed     ?   4   6  0.51   8  0.68  molprobity  
 644   644  m         -65.2   159.2  Favored     ?   9   7  0.41  10  0.55  molprobity  
 645   645  p         -69.1   128.4  Favored     ?   9   7  0.31  10  0.41  molprobity  
 646   646  ?         120.0   -23.0  Favored     ?   3   4  0.22   5  0.31  molprobity  
 647   647  m-85     -117.6   142.7  Favored     ?   9  13  0.44  18  0.34  molprobity  
 648   648  pt       -127.6  -175.9  Allowed     ?  11   8  0.23  11  0.45  molprobity  
 649   649  ?         109.2   169.4  Favored     ?   3   4  0.33   5  0.82  molprobity  
 650   650  tp10      -58.1   -48.6  Favored     ?   6   9  0.32  12  0.32  molprobity  
 651   651  ptm180   -121.9    44.6  Favored     ?  13  11  0.22  14  0.35  molprobity  
 652   652  m          57.9    37.5  Favored     ?   4   6  0.63   8  0.60  molprobity  
 653   653  pm0       -85.3   -41.8  Favored     ?   8   9  0.24  12  0.48  molprobity  
 654   654  m-85      -90.8   147.9  Favored     ?   9  13  0.49  18  0.30  molprobity  
 655   655  tpt180    -81.7   148.7  Favored     ?  13  11  0.18  14  0.46  molprobity  
 656   656  t0        -82.4    88.8  Favored     ?   4   8  0.24  11  0.56  molprobity  
 657   657  mt        -66.4   -27.5  Favored     ?  11   8  0.18  11  0.47  molprobity  
 658   658  mttt      -73.1   -42.0  Favored     ?  13   9  0.25  11  0.29  molprobity  
 659   659  m95      -113.2    18.2  Favored     ?  10  16  0.30  23  0.29  molprobity  
 660   660  t-105    -173.5  -179.2  Allowed     ?  10  16  0.14  23  0.41  molprobity  
 661   661  pt-20         ?       ?  ?           ?   6   8  0.62   9  0.32  molprobity  
 662   662  tp            ?       ?  ?           ?  13   8  0.18  11  0.29  molprobity  
 663   663  mp0       -91.3    53.2  Favored     ?   6   9  0.27  12  0.37  molprobity  
 664   664  pm0      -155.0   140.1  Favored     ?   6   9  0.25  12  0.47  molprobity  
 665   665  mttm     -139.8   129.0  Favored     ?  13   9  0.24  11  0.39  molprobity  
 666   666  mtmm      -59.1   112.3  Allowed     ?  13   9  0.28  11  0.21  molprobity  
 667   667  m        -102.5   152.8  Favored     ?   9   7  0.34  10  0.42  molprobity  
 668   668  p        -130.1  -172.8  Favored     ?   4   6  0.45   8  0.43  molprobity  
 669   669  mm100    -109.3   -24.2  Favored     ?   8   9  0.21  12  0.68  molprobity  
 670   670  ?          74.1   152.0  Favored     ?   3   4  0.39   5  0.10  molprobity  
 671   671  p         -89.1   165.2  Favored     ?   7   7  0.16  10  0.60  molprobity  
 672   672  t        -138.5    32.0  Favored     ?   5   6  0.13   8  0.22  molprobity  
 673   673  m-20      -74.5   -29.0  Favored     ?   6   8  0.22  11  0.57  molprobity  
 674   674  mtpt       75.3   -72.4  Allowed     ?  13   9  0.58  11  1.00  molprobity  
 675   675  mt       -128.9     1.1  Favored     ?  11   8  0.23  11  0.29  molprobity  
 676   676  m         -81.0   132.6  Favored     ?   7   7  0.27  10  0.51  molprobity  
 677   677  tt0       -89.5   128.6  Favored     ?   8   9  0.24  12  0.34  molprobity  
 678   678  mt        -98.8    87.0  Favored     ?  11   8  0.20  11  0.51  molprobity  
 679   679  ?          89.7  -126.7  Favored     ?   3   4  0.34   5  0.18  molprobity  
 680   680  p        -105.3   176.1  Favored     ?   7   7  0.17  10  0.63  molprobity  
 681   681  m-85      -61.0   -23.7  Favored     ?   9  12  0.42  16  0.26  molprobity  
 682   682  mp0       -98.1   -18.7  Favored     ?   6   9  0.25  12  0.41  molprobity  
 683   683  m-20      -84.8   -26.0  Favored     ?   4   8  0.16  11  0.23  molprobity  
 684   684  t-160     -71.6   -46.8  Favored     ?   7  11  0.19  15  0.21  molprobity  
 685   685  t80       -61.4   -41.9  Favored     ?   9  12  0.37  16  0.23  molprobity  
 686   686  mp        -62.7   -36.7  Favored     ?  11   8  0.19  11  0.52  molprobity  
 687   687  t         -75.5   -27.8  Favored     ?   5   6  0.20   8  0.18  molprobity  
 688   688  tp        -71.2   -40.2  Favored     ?  11   8  0.17  11  0.62  molprobity  
 689   689  tt0       -66.7   -35.5  Favored     ?   8   9  0.26  12  0.37  molprobity  
 690   690  mtm180    -75.0   -11.4  Favored     ?  13  11  0.20  14  0.45  molprobity  
 691   691  ttm      -101.5   -50.4  Favored     ?   9   8  0.24  10  0.31  molprobity  
 692   692  m-85      -93.1    52.8  Allowed     ?   9  12  0.42  16  0.27  molprobity  
 693   693  t30      -113.6   122.0  Favored     ?   6   8  0.23  11  0.44  molprobity  
 694   694  m120       56.5    30.8  Favored     ?   6   8  0.20  11  0.29  molprobity  
 695   695  t         -95.5   138.8  Favored     ?   4   6  0.36   8  0.30  molprobity  
 696   696  mt-10    -110.6   -30.4  Favored     ?   6   9  0.26  12  0.50  molprobity  
 697   697  t        -132.6   111.9  Favored     ?   9   7  0.36  10  0.53  molprobity  
 698   698  t         -81.1   115.4  Favored     ?   9   7  0.44  10  0.46  molprobity  
 699   699  mt        -77.8    -3.9  Favored     ?  11   8  0.20  11  0.58  molprobity  
 700   700  ?        -133.2  -124.5  Favored     ?   3   4  0.39   5  0.24  molprobity  
 701   701  m-20     -116.1   136.5  Favored     ?   6   8  0.26  11  0.31  molprobity  
 702   702  tp       -103.2   118.2  Favored     ?  11   8  0.22  11  0.63  molprobity  
 703   703  mt-10    -127.8   124.5  Favored     ?   6   9  0.43  12  0.36  molprobity  
 704   704  mt       -124.4    92.8  Favored     ?  11   8  0.35  11  0.67  molprobity  
 705   705  p        -123.1   149.1  Favored     ?   7   7  0.15  10  0.71  molprobity  
 706   706  m-85       50.3    63.9  Favored     ?   9  13  0.58  18  0.43  molprobity  
 707   707  t        -110.7    95.3  Favored     ?   9   7  0.46  10  0.63  molprobity  
 708   708  mm-40     -65.8   173.7  Favored     ?   8   9  0.30  12  0.44  molprobity  
 709   709  ttp85     -66.0   151.3  Favored     ?  13  11  0.19  14  0.49  molprobity  
 710   710  t30        58.5    63.2  Allowed     ?   6   8  0.24  11  0.47  molprobity  
 711   711  m-85     -130.8   133.9  Favored     ?   9  13  0.45  18  0.35  molprobity  
 712   712  t0        -77.6    99.2  Favored     ?   4   8  0.21  11  0.41  molprobity  
 713   713  mt        -96.4    32.4  Favored     ?  11   8  0.17  11  0.41  molprobity  
 714   714  m         -71.2   -23.1  Favored     ?   5   6  0.18   8  0.34  molprobity  
 715   715  p90       -65.5    -6.6  Favored     ?   9  12  0.39  16  0.32  molprobity  
 716   716  mt        -84.0     0.6  Favored     ?  11   8  0.26  11  0.57  molprobity  
 717   717  mttt      -78.1    10.0  Favored     ?  13   9  0.34  11  0.35  molprobity  
 718   718  m        -109.6   -21.7  Favored     ?   7   7  0.21  10  0.59  molprobity  
 719   719  mt        -66.7   127.1  Favored     ?  11   8  0.31  11  0.40  molprobity  
 720   720  mt-30    -117.3   -16.4  Favored     ?   8   9  0.26  12  0.52  molprobity  
 721   721  tt0      -160.3   119.5  Favored     ?   6   9  0.29  12  0.40  molprobity  
 722   722  t         -98.7   123.0  Favored     ?   9   7  0.46  10  0.42  molprobity  
 723   723  ?         -92.1    12.3  Favored     ?   5   5  0.24   7  0.46  molprobity  
 724   724  ?        -134.3  -125.2  Favored     ?   3   4  0.40   5  0.48  molprobity  
 725   725  p90      -116.7   163.9  Favored     ?   9  13  0.52  18  0.48  molprobity  
 726   726  t        -121.1   114.8  Favored     ?   9   7  0.45  10  0.60  molprobity  
 727   727  tp       -117.5   125.0  Favored     ?  11   8  0.20  11  0.52  molprobity  
 728   728  mt       -127.6    93.2  Favored     ?  11   8  0.33  11  0.64  molprobity  
 729   729  ?        -128.0   149.2  Favored     ?   5   5  0.29   7  0.63  molprobity  
 730   730  mt         55.6    21.1  Favored     ?  11   8  0.17  11  0.45  molprobity  
 731   731  m-20      -79.6   158.6  Favored     1   6   8  0.20  11  0.43  molprobity  
 732   732  m        -128.4   -12.3  Favored     ?   7   7  0.22  10  0.60  molprobity  
 733   733  p         -59.6   138.9  Favored     ?   9   7  0.28  10  0.45  molprobity  
 734   734  mm-40     -83.1     1.6  Favored     ?   6   9  0.22  11  0.55  molprobity  
 735   735  ?        -160.7   120.1  Favored     ?  13   2  0.30   2  0.32  molprobity  
 736   736  mt       -110.5   101.2  Favored     ?  11   8  0.38  12  0.50  molprobity  
 737   737  Cg_endo   -80.2   105.0  Allowed     ?   7   8  0.22  11  0.38  molprobity  
 738   738  mt       -117.3    41.5  Favored     ?  11   8  0.28  11  0.65  molprobity  
 739   739  mt-10     -66.9     1.6  Allowed     ?   6   9  0.35  12  0.90  molprobity  
 740   740  m-80     -130.1    16.7  Favored     ?   6   8  0.23  11  0.35  molprobity  
 741   741  tp        -76.1   129.6  Favored     ?  11   8  0.17  11  0.33  molprobity  
 742   742  mt-30    -113.4   -29.1  Favored     ?   8   9  0.21  12  0.61  molprobity  
 743   743  tt       -158.6   143.8  Favored     ?  11   8  0.29  11  0.56  molprobity  
 744   744  mt       -123.2    45.3  Allowed     ?  11   8  0.27  11  0.83  molprobity  
 745   745  mtt-85    -29.4   -46.1  Allowed     ?  13  11  0.24  14  0.78  molprobity  
 746   746  ?          86.1    46.8  Favored     ?   3   4  0.40   5  0.54  molprobity  
 747   747  m-20      -72.2     4.1  Favored     ?   6   8  0.22  11  0.45  molprobity  
 748   748  ttt      -163.0   126.7  Favored     ?   9   8  0.24  10  0.39  molprobity  
 749   749  m-85      -95.0   152.2  Favored     ?   9  13  0.39  18  0.45  molprobity  
 750   750  t80       -92.8   140.8  Favored     ?   9  13  0.38  18  0.31  molprobity  
 751   751  mm-40      57.9    30.1  Favored     ?   6   9  0.70  12  0.97  molprobity  
 752   752  p30        38.1    47.7  Allowed     ?   6   8  0.84  11  0.87  molprobity  
 753   753  t        -168.2   -34.6  OUTLIER     ?   5   6  0.80   8  0.68  molprobity  
 754   754  m-30     -106.4   158.8  Favored     ?   9  13  0.37  18  0.40  molprobity  
 755   755  ?        -113.2   -38.2  Favored     ?   5   5  0.40   7  0.65  molprobity  
 756   756  tp       -117.1   138.3  Favored     ?  11   8  0.22  11  0.53  molprobity  
 757   757  ?        -150.5   124.0  Favored     ?   5   5  0.32   7  0.43  molprobity  
 758   758  t        -120.3    92.8  Favored     ?   9   7  0.41  10  0.68  molprobity  
 759   759  mt        -88.4  -164.0  Allowed     ?  11   8  0.21  11  0.63  molprobity  
 760   760  m         -48.1   116.5  Allowed     ?   5   6  0.18   8  0.33  molprobity  
 761   761  t-20     -138.6    46.3  Favored     ?   6   8  0.22  11  0.45  molprobity  
 762   762  p90      -130.1   165.4  Favored     ?   9  13  0.48  18  0.60  molprobity  
 763   763  t0        -86.7  -166.3  Allowed     ?   4   8  0.18  11  0.59  molprobity  
 764   764  ?         -68.3   -60.3  Favored     ?   5   5  0.28   7  0.28  molprobity  
 765   765  m-20      -86.0    50.3  Allowed     ?   6   8  0.18  11  0.68  molprobity  
 766   766  mtmm       64.5    -2.7  Allowed     ?  13   9  0.20  11  0.64  molprobity  
 767   767  p         -75.7   177.8  Favored     ?   7   7  0.25  10  0.77  molprobity  
 768   768  ?         152.9  -147.5  Favored     ?   3   4  0.38   5  0.75  molprobity  
 769   769  tp        -57.6   129.9  Favored     ?  11   8  0.21  11  0.36  molprobity  
 770   770  tttt     -119.1   -41.9  Favored     ?  13   9  0.24  11  0.46  molprobity  
 771   771  pt-20    -136.1   147.7  Favored     ?   6   9  0.28  12  0.42  molprobity  
 772   772  tp       -148.3    80.2  Favored     ?  11   8  0.32  12  0.95  molprobity  
 773   773  Cg_endo   -82.6    85.4  Allowed     ?   7   8  0.18  11  0.24  molprobity  
 774   774  mtm       -93.1    35.1  Allowed     ?   9   8  0.25  10  0.43  molprobity  
 775   775  ptt180    -54.7    -9.3  Allowed     ?  13  11  0.27  14  0.56  molprobity  
 776   776  m-20     -101.4    -2.5  Favored     ?   6   8  0.17  11  0.36  molprobity  
 777   777  tp        -69.2   108.7  Favored     ?  11   8  0.23  11  0.31  molprobity  
 778   778  mm-40    -104.3   -42.5  Favored     ?   8   9  0.19  12  0.61  molprobity  
 779   779  tt0      -143.2   137.9  Favored     ?   6   9  0.30  12  0.50  molprobity  
 780   780  mt       -104.2   108.8  Favored     ?  11   8  0.34  11  0.66  molprobity  
 781   781  mt        -58.0   -54.9  Favored     ?  11   8  0.21  11  0.33  molprobity  
 782   782  m170     -130.5   148.4  Favored     ?   7  11  0.16  15  0.28  molprobity  
 783   783  ?         108.6   177.9  Favored     ?   3   4  0.33   5  0.89  molprobity  
 784   784  ?        -119.0  -171.6  Favored     ?   5   5  0.26   7  0.66  molprobity  
 785   785  t        -132.8   142.2  Favored     ?   9   7  0.36  10  0.33  molprobity  
 786   786  ttt85    -132.9   127.9  Favored     ?  13  11  0.19  14  0.46  molprobity  
 787   787  m-85     -133.0    92.1  Favored     ?   9  12  0.42  16  0.46  molprobity  
 788   788  p        -129.4   134.0  Favored     ?   5   6  0.22   8  0.56  molprobity  
 789   789  t-20       73.0    23.9  Favored     ?   6   8  0.18  11  0.49  molprobity  
 790   790  m-20      -90.9   105.8  Favored     ?   6   8  0.31  12  0.43  molprobity  
 791   791  Cg_endo   -92.8    -7.2  Favored     ?   7   8  0.26  11  0.56  molprobity  
 792   792  ?        -112.6     0.5  Favored     ?   5   5  0.36   7  0.45  molprobity  
 793   793  tp        -63.1   150.0  Favored     ?  11   8  0.20  11  0.43  molprobity  
 794   794  m        -141.4   132.9  Favored     ?   4   6  0.31   8  1.09  molprobity  
 795   795  m120       76.7    -8.9  Allowed     1   6   8  0.21  11  0.84  molprobity  
 796   796  t         -83.8    -1.9  Favored     ?   9   7  0.34  10  0.40  molprobity  
 797   797  pm0       -80.1    -6.2  Favored     ?   6   9  0.23  12  0.43  molprobity  
 798   798  p        -111.5     2.6  Favored     ?   5   6  0.25   8  0.51  molprobity  
 799   799  mm        -71.5   159.8  Favored     ?  11   8  0.33  11  0.71  molprobity  
 800   800  mt-30    -109.3    89.5  Favored     1   8   9  0.32  12  0.54  molprobity  
 801   801  m95       -70.0    -5.0  Favored     ?  10  16  0.35  23  0.35  molprobity  
 802   802  ptt180    -82.5    -7.9  Favored     ?  13  11  0.22  14  0.37  molprobity  
 803   803  t70       -81.0   -19.7  Favored     ?   4   8  0.19  11  0.35  molprobity  
 804   804  mt       -100.2   -60.9  Favored     ?  11   8  0.36  11  0.36  molprobity  
 805   805  t         -74.0   144.4  Favored     ?   9   7  0.39  10  0.38  molprobity  
 806   806  m         -64.5   140.5  Favored     ?   5   6  0.17   8  0.31  molprobity  
 807   807  p         -60.2   -19.5  Favored     ?   5   6  0.19   8  0.25  molprobity  
 808   808  t0        -67.5   -29.4  Favored     ?   4   8  0.18  11  0.62  molprobity  
 809   809  m-85     -108.1    -1.0  Favored     ?   9  12  0.35  16  0.38  molprobity  
 810   810  tt        -73.6    -5.1  Favored     ?  11   8  0.20  11  0.95  molprobity  
 811   811  p         -80.8   -13.5  Favored     ?   5   6  0.22   8  0.34  molprobity  
 812   812  m-80      -97.7   -13.7  Favored     ?   6   8  0.23  11  0.48  molprobity  
 813   813  mtp       -58.0   153.9  Favored     ?   9   8  0.30  10  0.45  molprobity  
 814   814  t        -148.3    97.8  Favored     ?   5   6  0.27   8  0.50  molprobity  
 815   815  mmm      -106.3   139.2  Favored     ?   9   8  0.27  10  0.28  molprobity  
 816   816  t0       -147.5    96.7  Favored     ?   4   8  0.28  11  0.58  molprobity  
 817   817  m-85     -106.4   120.6  Favored     ?   9  12  0.35  16  0.29  molprobity  
 818   818  pt20     -136.2    45.6  Favored     ?   8   9  0.23  12  0.36  molprobity  
 819   819  t30       -74.7    90.6  Favored     ?   6   8  0.21  11  0.53  molprobity  
 820   820  p80       -87.8    22.7  Favored     ?   7  11  0.20  15  0.26  molprobity  
 821   821  mt       -112.4   -42.2  Favored     ?  11   8  0.23  11  0.41  molprobity  
 822   822  ?          62.4     6.8  Favored     ?   3   4  0.22   5  0.59  molprobity  
 823   823  p         -80.1    55.6  Favored     ?   5   6  0.21   8  0.08  molprobity  
 824   824  p        -152.7   138.3  Favored     ?   4   6  0.44   8  0.58  molprobity  
 825   825  pm0       -73.3   157.9  Favored     ?   8   9  0.30  12  0.48  molprobity  
 826   826  mtmm      -72.4  -176.7  Allowed     ?  13   9  0.26  11  0.53  molprobity  
 827   827  p        -117.7   149.7  Favored     ?   4   6  0.49   8  1.04  molprobity  
 828   828  t70       -42.8   135.0  Favored     ?   4   8  0.17  12  0.43  molprobity  
 829   829  Cg_exo    -67.9    -1.9  Favored     ?   7   8  0.23  11  0.45  molprobity  
 830   830  OUTLIER   -89.6    23.8  Favored     ?   5   6  0.91   8  0.72  molprobity  
 831   831  m        -120.2   141.9  Favored     ?   4   6  0.78   9  0.76  molprobity  
 832   832  Cg_endo   -54.1   101.3  OUTLIER     ?   7   8  0.47  11  0.70  molprobity  
 833   833  OUTLIER    27.3    65.4  Allowed     ?   6   8  0.85  11  0.69  molprobity  
 834   834  ?          95.0  -120.7  Favored     ?   3   4  0.39   5  0.70  molprobity  
 835   835  m          43.2    61.6  Favored     ?   5   6  0.26   8  0.54  molprobity  
 836   836  p        -124.1   131.8  Favored     ?   4   6  0.74   8  0.47  molprobity  
 837   837  m95       -81.6    -5.5  Favored     ?  10  16  0.22  23  0.32  molprobity  
 838   838  ?         174.9  -142.1  Favored     ?   3   4  0.33   5  0.20  molprobity  
 839   839  ?         -99.1   154.2  Favored     ?   5   5  0.24   7  0.39  molprobity  
 840   840  ?          97.4   177.7  Favored     ?   3   4  0.32   5  0.76  molprobity  
 841   841  tm-20     -92.9   -15.5  Favored     ?   6   9  0.28  12  0.43  molprobity  
 842   842  pt-20     -87.7   -19.2  Favored     ?   6   9  0.26  12  0.55  molprobity  
 843   843  m-80     -104.1    32.0  Favored     ?   6   8  0.55  11  0.78  molprobity  
 844   844  OUTLIER   -88.2  -144.1  Allowed     ?   4   6  0.78   8  1.49  molprobity  
 845   845  tt0      -125.7   139.5  Favored     ?   8   9  0.26  12  0.52  molprobity  
 846   846  ptpp?    -107.0   111.9  Favored     ?  13   9  0.22  11  0.34  molprobity  
 847   847  mp        -87.0   140.4  Favored     ?  11   8  0.18  11  0.59  molprobity  
 848   848  p        -139.0    20.8  Favored     ?   7   7  0.20  10  0.74  molprobity  
 849   849  ttpt     -136.8   -16.8  Allowed     ?  13   9  0.19  11  0.78  molprobity  
 850   850  pt       -127.0    29.0  Favored     ?  11   8  0.23  11  0.25  molprobity  
 851   851  pt       -118.3   -41.8  Favored     ?  11   8  0.21  11  0.31  molprobity  
 852   852  p         -82.7   167.6  Favored     ?   4   6  0.44   8  0.60  molprobity  
 853   853  ?         -87.4   177.5  Favored     ?   5   5  0.21   7  0.51  molprobity  
 854   854  pm0       -67.6   -17.6  Favored     ?   8   9  0.22  12  0.46  molprobity  
 855   855  mp0       -60.0   -29.3  Favored     ?   8   9  0.25  12  0.28  molprobity  
 856   856  m         -77.3   135.0  Favored     ?   4   6  0.33   8  0.29  molprobity  
 857   857  p         -95.1   -24.1  Favored     ?   5   6  0.24   8  0.37  molprobity  
 858   858  ?        -118.0  -113.6  Favored     ?   3   4  0.34   5  0.28  molprobity  
 859   859  mtp85    -113.3   177.9  Favored     ?  13  11  0.17  14  0.43  molprobity  
 860   860  p        -145.3  -169.2  Favored     ?   4   6  0.35   8  0.50  molprobity  
 861   861  mtm105   -127.0     0.0  Favored     ?  13  11  0.19  14  0.55  molprobity  
 862   862  ?        -177.7  -145.2  Favored     ?   3   4  0.34   5  0.45  molprobity  
 863   863  mtmm     -113.0   -22.5  Favored     ?  13   9  0.25  11  0.50  molprobity  
 864   864  t         -67.9   147.7  Favored     ?   5   6  0.19   9  0.25  molprobity  
 865   865  Cg_exo    -69.1    -7.0  Favored     ?   7   8  0.31  11  0.42  molprobity  
 866   866  p         -84.3     9.2  Favored     ?   5   6  0.21   8  0.35  molprobity  
 867   867  m-20     -112.5   -18.5  Favored     ?   4   8  0.16  11  0.60  molprobity  
 868   868  m         -42.0   127.7  Favored     ?   4   6  0.29   8  0.40  molprobity  
 869   869  m         -82.5   169.5  Favored     ?   4   6  0.38   8  0.45  molprobity  
 870   870  t-160     -63.1   166.3  Favored     ?   7  11  0.21  15  0.36  molprobity  
 871   871  m120      -63.8   -36.3  Favored     1   6   8  0.23  11  0.24  molprobity  
 872   872  mm-40     -92.5    11.6  Favored     ?   8   9  0.28  12  0.43  molprobity  
 873   873  m         -80.7   130.7  Favored     ?   4   6  0.23   8  0.43  molprobity  
 874   874  ?         -92.9   -60.6  Allowed     ?   5   5  0.28   7  0.38  molprobity  
 875   875  ?         -81.2   -61.7  Allowed     ?   5   5  0.37   7  0.33  molprobity  
 876   876  ?        -156.7  -149.4  Favored     ?   3   4  0.41   5  0.98  molprobity  
 877   877  p        -159.4   165.3  Favored     ?   4   6  0.40   8  0.58  molprobity  
 878   878  p        -120.0     2.2  Favored     ?   7   7  0.20  10  0.64  molprobity  
 879   879  ?        -167.3   156.3  Favored     ?   3   4  0.47   6  0.54  molprobity  
 880   880  Cg_endo   -71.2   -16.4  Favored     ?   7   8  0.25  11  0.51  molprobity  
 881   881  ptp180    -97.1   164.6  Favored     ?  13  11  0.17  14  0.47  molprobity  
 882   882  pm0       -67.5    -5.3  Favored     ?   6   9  0.25  12  0.58  molprobity  
 883   883  p        -100.0    23.3  Favored     ?   5   6  0.20   8  0.17  molprobity  
 884   884  m-20     -134.1    10.2  Favored     ?   4   8  0.20  11  0.38  molprobity  
 885   885  m         -69.1   143.3  Favored     ?   4   6  0.40   8  0.49  molprobity  
 886   886  mt        -60.3   -60.0  Favored     ?  11   8  0.20  11  0.36  molprobity  
 887   887  t        -131.2   137.6  Favored     ?   9   7  0.31  10  0.46  molprobity  
 888   888  m         -69.7   153.5  Favored     ?   4   6  0.30   8  0.40  molprobity  
 889   889  ttm105    -90.7   -49.3  Favored     ?  13  11  0.14  14  0.36  molprobity  
 890   890  mttm     -115.6   -58.2  Favored     ?  13   9  0.23  11  0.43  molprobity  
 891   891  m-85     -124.9  -174.4  Favored     ?   9  12  0.35  16  0.29  molprobity  
 892   892  ttt85    -156.7   108.8  Favored     ?  13  11  0.26  14  0.41  molprobity  
 893   893  t-20      -91.8    47.2  Allowed     ?   6   8  0.18  11  0.74  molprobity  
 894   894  mm-40      68.3   -13.1  Allowed     ?   6   9  0.48  12  0.54  molprobity  
 895   895  ?        -146.9     0.1  Allowed     ?   5   5  0.39   7  0.57  molprobity  
 896   896  p        -144.6   159.3  Favored     ?   7   7  0.24  10  0.59  molprobity  
 897   897  m         -98.2    91.3  Favored     ?   4   6  0.40   8  0.53  molprobity  
 898   898  mmtm      -80.6   169.6  Favored     ?  13   9  0.26  11  0.39  molprobity  
 899   899  t70      -103.5   -26.8  Favored     ?   4   8  0.18  11  0.41  molprobity  
 900   900  m        -152.2   140.0  Favored     ?   7   7  0.26  10  0.80  molprobity  
 901   901  m         -60.0   143.8  Favored     ?   4   6  0.30   9  0.32  molprobity  
 902   902  Cg_exo    -58.6   126.6  Favored     ?   7   8  0.30  12  0.27  molprobity  
 903   903  Cg_exo    -60.9   152.4  Favored     ?   7   8  0.22  11  0.40  molprobity  
 904   904  mt        -75.2   -24.9  Favored     ?  11   8  0.19  11  0.31  molprobity  
 905   905  mmm      -131.3   137.1  Favored     ?   9   8  0.26  10  0.40  molprobity  
 906   906  mt       -114.3   135.3  Favored     ?  11   8  0.19  11  0.33  molprobity  
 907   907  t80       -69.7   153.2  Favored     ?   9  13  0.42  18  0.31  molprobity  
 908   908  t-20     -121.5   102.0  Favored     ?   6   8  0.33  12  0.34  molprobity  
 909   909  Cg_exo    -62.6   -14.6  Favored     ?   7   8  0.29  11  0.43  molprobity  
 910   910  m         -87.9   -42.0  Favored     ?   7   7  0.18  10  0.60  molprobity  
 911   911  t        -110.9     3.0  Favored     ?   7   7  0.20  10  0.61  molprobity  
 912   912  m-85       57.1    42.5  Favored     ?   9  13  0.43  18  0.32  molprobity  
 913   913  mm100    -135.9   178.2  Favored     1   8   9  0.23  12  0.46  molprobity  
 914   914  mmt      -110.6   119.1  Favored     ?   9   8  0.29  10  0.35  molprobity  
 915   915  m-20      -87.2  -171.2  Favored     ?   4   8  0.25  11  0.39  molprobity  
 916   916  m        -109.2   160.2  Favored     ?   9   7  0.35  10  0.61  molprobity  
 917   917  t-20     -113.1   122.4  Favored     ?   6   8  0.33  12  0.35  molprobity  
 918   918  Cg_endo   -73.2    -5.2  Favored     ?   7   8  0.24  11  0.38  molprobity  
 919   919  pt-20    -130.0    33.2  Favored     ?   6   9  0.23  12  0.38  molprobity  
 920   920  ?         -79.8   146.8  Favored     ?   3   4  0.29   5  0.57  molprobity  
 921   921  mttt     -144.8   146.5  Favored     ?  13   9  0.22  11  0.39  molprobity  
 922   922  m-85      -81.0   139.7  Favored     ?   9  13  0.43  18  0.33  molprobity  
 923   923  p         -87.8   117.3  Favored     ?   5   6  0.21   8  0.38  molprobity  
 924   924  t80      -126.0   102.5  Favored     ?   9  12  0.36  16  0.38  molprobity  
 925   925  ?          72.9  -117.7  Favored     ?   3   4  0.33   5  0.37  molprobity  
 926   926  ?        -113.8    24.9  Favored     ?   5   5  0.17   7  0.28  molprobity  
 927   927  p        -130.4   157.4  Favored     ?   7   7  0.18  10  0.65  molprobity  
 928   928  m        -111.3   107.1  Favored     ?   4   6  0.33   8  0.43  molprobity  
 929   929  m        -103.2   166.5  Favored     ?   9   7  0.26  10  0.45  molprobity  
 930   930  mmtt      -76.7   -39.6  Favored     ?  13   9  0.24  11  0.21  molprobity  
 931   931  ptmm?    -143.0   147.7  Favored     ?  13   9  0.24  11  0.42  molprobity  
 932   932  m         -67.2   158.0  Favored     ?   4   6  0.34   9  0.31  molprobity  
 933   933  Cg_exo    -63.4   151.7  Favored     ?   7   8  0.22  11  0.41  molprobity  
 934   934  ttp85     -67.9   -14.2  Favored     ?  13  11  0.17  14  0.39  molprobity  
 935   935  p-10     -107.1    16.1  Favored     ?   6   8  0.21  11  0.35  molprobity  
 936   936  m-85     -114.4   168.5  Favored     ?   9  13  0.46  18  0.35  molprobity  
 937   937  t         -95.1   120.9  Favored     ?   9   7  0.42  10  0.42  molprobity  
 938   938  t         -92.5   104.7  Favored     ?   9   7  0.40  10  0.43  molprobity  
 939   939  p         -70.1   168.4  Favored     ?   7   7  0.20  10  0.64  molprobity  
 940   940  m-20      -74.6   -35.2  Favored     ?   4   8  0.18  11  0.25  molprobity  
 941   941  m80       -56.1   -31.6  Favored     ?   7  11  0.19  15  0.41  molprobity  
 942   942  ?         101.2    91.3  Favored     ?   3   4  0.39   5  1.03  molprobity  
 943   943  p        -172.8   131.4  Allowed     ?   5   6  0.27   8  0.29  molprobity  
 944   944  m         -84.2   119.3  Favored     ?   4   6  0.35   8  0.34  molprobity  
 945   945  m        -122.8   165.1  Favored     ?   9   7  0.36  10  0.52  molprobity  
 946   946  mtt180    -86.8   -32.5  Favored     ?  13  11  0.19  14  0.37  molprobity  
 947   947  ?        -166.6   135.9  Favored     ?   5   5  0.34   7  0.61  molprobity  
 948   948  p         -95.1   167.4  Favored     ?   4   6  0.47   8  0.52  molprobity  
 949   949  ?         -54.1   165.2  Favored     ?   3   4  0.16   5  0.68  molprobity  
 950   950  ?         -63.9   -22.8  Favored     ?   5   5  0.24   7  0.24  molprobity  
 951   951  p-10      -68.2    -8.7  Favored     ?   4   8  0.19  11  0.41  molprobity  
 952   952  m        -126.8  -174.8  Favored     ?   5   6  0.22   8  0.28  molprobity  
 953   953  p90      -162.1   140.3  Favored     ?   9  13  0.28  18  0.39  molprobity  
 954   954  mt-10     -56.6   157.2  Favored     ?   6   9  0.27  12  0.52  molprobity  
 955   955  ttt      -158.0   113.9  Favored     ?   9   8  0.29  10  0.46  molprobity  
 956   956  tp10      -62.6   127.2  Favored     ?   6   9  0.29  12  0.40  molprobity  
 957   957  tm-20    -145.2   120.8  Favored     ?   6   9  0.24  12  0.84  molprobity  
 958   958  p-10       35.1    41.4  Allowed     ?   4   8  0.40  11  1.20  molprobity  
 959   959  ?         101.3   -42.2  Allowed     ?   3   4  0.29   5  0.39  molprobity  
 960   960  m         -88.3   162.2  Favored     ?   9   7  0.26  10  0.43  molprobity  
 961   961  mmm180    -94.0   139.9  Favored     ?  13  11  0.20  14  0.39  molprobity  
 962   962  mttm     -149.7   170.1  Favored     ?  13   9  0.23  11  0.55  molprobity  
 963   963  p        -139.7   133.2  Favored     ?   4   6  0.48   8  0.93  molprobity  
 964   964  ptpt     -104.6   166.8  Favored     ?  13   9  0.22  11  0.36  molprobity  
 965   965  mmtt      -61.9   153.1  Favored     ?  13   9  0.23  11  0.37  molprobity  
 966   966  m         -62.5   154.3  Favored     ?   4   6  0.25   8  0.48  molprobity  
 967   967  mm-40     -97.5    87.2  Favored     ?   6   9  0.40  12  0.67  molprobity  
 968   968  ?          73.3  -114.9  Favored     ?   3   4  0.49   6  0.40  molprobity  
 969   969  Cg_endo   -80.1   140.7  Favored     ?   7   8  0.15  11  0.33  molprobity  
 970   970  m         -82.8  -173.5  Favored     ?   4   6  0.25   8  0.50  molprobity  
 971   971  mtp85    -108.2  -175.8  Favored     ?  13  11  0.17  14  0.42  molprobity  
 972   972  tttm      -78.8   112.4  Favored     ?  13   9  0.25  11  0.31  molprobity  
 973   973  p         -88.3   111.6  Favored     ?   9   7  0.20  10  0.65  molprobity  
 974   974  m        -102.6   103.7  Favored     ?   4   6  0.45   8  0.38  molprobity  
 975   975  m-20      -62.0   152.3  Favored     ?   6   8  0.21  11  0.32  molprobity  
 976   976  ?        -103.3   173.2  Favored     ?   3   4  0.49   5  0.68  molprobity  
 977   977  mm        -63.3   123.6  Favored     ?  11   8  0.32  11  0.40  molprobity  
 978   978  ?          94.6    26.1  Favored     ?   3   4  0.35   5  0.58  molprobity  
 979   979  tt       -155.2   143.0  Favored     ?  11   8  0.22  11  0.47  molprobity  
 980   980  ?          63.7  -123.7  Favored     ?   3   4  0.16   5  0.46  molprobity  
 981   981  pt-20     -72.3    -6.0  Favored     ?   6   9  0.24  12  0.46  molprobity  
 982   982  m-85     -116.2    43.0  Favored     ?   9  12  0.38  16  0.26  molprobity  
 983   983  ttmm      -90.2   -26.6  Favored     ?  13   9  0.22  11  0.38  molprobity  
 984   984  t0        -83.6   -25.6  Favored     ?   4   8  0.22  11  0.24  molprobity  
 985   985  p         -80.1   131.8  Favored     ?   5   6  0.22   8  0.28  molprobity  
 986   986  pp       -113.1    13.7  Favored     ?  11   8  0.21  11  0.60  molprobity  
 987   987  t        -150.7  -162.5  Allowed     ?   5   6  0.37   8  0.66  molprobity  
 988   988  tp       -110.1    31.0  Allowed     ?  11   8  0.19  11  0.63  molprobity  
 989   989  p30       -43.7   149.9  Allowed     ?   6   8  0.23  11  0.50  molprobity  
 990   990  ?         -56.2   -13.3  Allowed     ?   5   5  0.24   7  0.60  molprobity  
 991   991  m         -69.4   -50.2  Favored     ?   7   7  0.19  10  0.49  molprobity  
 992   992  p30       -96.5     2.3  Favored     ?   6   8  0.32  11  0.47  molprobity  
 993   993  tp        -66.7   -26.1  Favored     ?  11   8  0.20  11  0.28  molprobity  
 994   994  ptpp?     -67.6   -20.4  Favored     ?  13   9  0.20  11  0.39  molprobity  
 995   995  m80       -75.9   -27.8  Favored     ?   7  11  0.20  15  0.19  molprobity  
 996   996  m-85      -83.0    51.3  Allowed     ?   9  12  0.39  16  0.26  molprobity  
 997   997  tppp?     -83.8   -44.1  Favored     ?  13   9  0.23  11  0.23  molprobity  
 998   998  t-20     -130.5    31.1  Favored     ?   6   8  0.20  11  0.23  molprobity  
 999   999  m         -72.0   156.1  Favored     ?   4   6  0.46   8  0.47  molprobity  
1000  1000  m        -123.0   -39.7  Favored     ?   7   7  0.22  10  0.58  molprobity  
1001  1001  m        -123.6   118.8  Favored     ?   5   6  0.23   8  0.43  molprobity  
1002  1002  mm        -87.0    96.9  Favored     ?  11   8  0.30  11  0.54  molprobity  
1003  1003  p         -73.9    69.8  Allowed     ?   5   6  0.23   8  0.17  molprobity  
1004  1004  ?         168.4  -135.7  Favored     ?   3   4  0.35   5  0.37  molprobity  
1005  1005  m-20     -102.7  -173.4  Favored     ?   4   8  0.24  11  0.47  molprobity  
1006  1006  mt       -156.8   112.7  Favored     ?  11   8  0.26  11  0.54  molprobity  
1007  1007  m170     -110.1   137.9  Favored     ?   7  11  0.22  15  0.38  molprobity  
1008  1008  mt       -134.1    96.9  Favored     ?  11   8  0.42  11  0.75  molprobity  
1009  1009  mp       -101.0   157.5  Favored     ?  11   8  0.23  12  0.34  molprobity  
1010  1010  Cg_endo   -74.5     6.9  Favored     ?   7   8  0.23  11  0.42  molprobity  
1011  1011  p         -96.9     1.8  Favored     ?   9   7  0.22  10  0.39  molprobity  
1012  1012  ?         -91.0   -20.8  Favored     ?   5   5  0.32   7  0.40  molprobity  
1013  1013  m-85      -97.6   -31.4  Favored     ?   9  12  0.36  16  0.32  molprobity  
1014  1014  ppt_?     -96.5     1.5  Favored     ?  13  11  0.15  14  0.50  molprobity  
1015  1015  ?          82.4   131.8  Allowed     ?   3   4  0.38   5  0.23  molprobity  
1016  1016  t0        -99.1   134.3  Favored     ?   4   8  0.20  11  0.38  molprobity  
1017  1017  p         -95.8   -37.3  Favored     ?   5   6  0.22   8  0.28  molprobity  
1018  1018  t80       -58.7   -24.1  Favored     ?   9  12  0.38  16  0.31  molprobity  
1019  1019  p        -121.1    15.4  Favored     ?   7   7  0.21  10  0.63  molprobity  
1020  1020  m80        52.4    63.2  Favored     ?   7  11  0.15  15  0.38  molprobity  
1021  1021  p        -123.8   137.5  Favored     ?   7   7  0.32  11  0.63  molprobity  
1022  1022  Cg_endo   -77.5   162.8  Favored     ?   7   8  0.31  12  0.32  molprobity  
1023  1023  Cg_exo    -61.9   154.5  Favored     ?   7   8  0.19  11  0.36  molprobity  
1024  1024  tp        -94.5   123.0  Favored     ?  11   8  0.28  11  0.41  molprobity  
1025  1025  t0        -68.0   122.2  Favored     ?   4   8  0.25  12  0.43  molprobity  
1026  1026  Cg_exo    -51.5   -17.4  Favored     ?   7   8  0.22  11  0.37  molprobity  
1027  1027  tp60      -82.1   -18.1  Favored     ?   8   9  0.25  12  0.32  molprobity  
1028  1028  mt-10     -76.8    -0.8  Favored     ?   6   9  0.21  12  0.43  molprobity  
1029  1029  mt        -81.7   -14.8  Favored     ?  11   8  0.18  11  0.31  molprobity  
1030  1030  m-20      -66.7    -6.2  Favored     ?   4   8  0.17  11  0.37  molprobity  
1031  1031  mt        -68.5   -21.6  Favored     ?  11   8  0.32  11  0.45  molprobity  
1032  1032  mt        -84.3    -5.5  Favored     ?  11   8  0.16  11  0.48  molprobity  
1033  1033  mtpp      -65.7    -1.2  Favored     ?  13   9  0.22  11  0.43  molprobity  
1034  1034  t        -106.6    -3.0  Favored     ?   7   7  0.18  10  0.55  molprobity  
1035  1035  t         -71.5   136.2  Favored     ?   9   7  0.34  10  0.37  molprobity  
1036  1036  mttp     -123.3   -22.8  Favored     ?  13   9  0.27  11  0.58  molprobity  
1037  1037  mt-10    -134.8   153.4  Favored     ?   6   9  0.25  12  0.54  molprobity  
1038  1038  mt       -137.8   109.6  Favored     ?  11   8  0.35  11  0.66  molprobity  
1039  1039  p         -84.7    54.3  Favored     ?   7   7  0.15  10  0.58  molprobity  
1040  1040  ?        -177.8  -138.1  Favored     ?   3   4  0.35   5  0.51  molprobity  
1041  1041  p90      -119.0   158.5  Favored     ?   9  12  0.37  16  0.35  molprobity  
1042  1042  tp       -120.5   106.8  Favored     ?  11   8  0.19  11  0.49  molprobity  
1043  1043  tp       -108.9    98.7  Favored     ?  11   8  0.21  11  0.62  molprobity  
1044  1044  mt        -95.9   117.1  Favored     ?  11   8  0.37  11  0.53  molprobity  
1045  1045  tt0      -120.0     2.5  Favored     ?   8   9  0.30  12  0.41  molprobity  
1046  1046  ?        -166.8   145.6  Favored     ?   5   5  0.29   7  0.77  molprobity  
1047  1047  t-105    -146.6   147.5  Favored     ?  10  16  0.32  24  0.54  molprobity  
1048  1048  Cg_endo   -57.3   131.3  Favored     ?   7   8  0.22  11  0.35  molprobity  
1049  1049  mm-40     -60.0   -22.0  Favored     ?   6   9  0.23  12  0.35  molprobity  
1050  1050  t-20      -66.1   -49.3  Favored     ?   6   8  0.20  11  0.26  molprobity  
1051  1051  mmm-85    -65.9   169.1  Favored     ?  13  11  0.21  14  0.43  molprobity  
1052  1052  p        -130.1     5.2  Favored     ?   7   7  0.21  10  0.74  molprobity  
1053  1053  p-10     -164.0   161.6  Favored     ?   4   8  0.19  11  0.46  molprobity  
1054  1054  mt        -74.5    78.8  Allowed     ?  11   8  0.20  11  0.68  molprobity  
1055  1055  p-80      -75.6   -32.7  Favored     ?   7  11  0.17  15  0.27  molprobity  
1056  1056  ?         -71.1   -10.4  Favored     ?   5   5  0.24   7  0.49  molprobity  
1057  1057  m-85     -116.1    21.7  Favored     ?   9  12  0.38  16  0.21  molprobity  
1058  1058  pt-20     -68.1    -9.8  Favored     ?   6   9  0.28  12  0.43  molprobity  
1059  1059  m-20     -107.3    -4.3  Favored     ?   6   8  0.21  11  0.39  molprobity  
1060  1060  tp        -56.2   138.2  Favored     ?  11   8  0.28  11  0.60  molprobity  
1061  1061  mt-10    -127.4   -33.8  Favored     ?   6   9  0.22  12  0.45  molprobity  
1062  1062  mt       -137.5   143.4  Favored     ?  11   8  0.26  11  0.57  molprobity  
1063  1063  mt       -126.5    96.0  Favored     ?  11   8  0.34  11  0.70  molprobity  
1064  1064  mpt_?     -59.7   -31.1  Favored     ?  13  11  0.25  14  0.48  molprobity  
1065  1065  ?          61.5    39.6  Favored     ?   3   4  0.23   5  0.40  molprobity  
1066  1066  mtt180    -75.3   -36.2  Favored     ?  13  11  0.30  14  0.36  molprobity  
1067  1067  t        -121.2   135.1  Favored     ?   7   7  0.26  10  0.51  molprobity  
1068  1068  mtmt     -122.6   152.7  Favored     ?  13   9  0.23  11  0.39  molprobity  
1069  1069  tp60      -74.9   132.1  Favored     ?   8   9  0.26  12  0.40  molprobity  
1070  1070  m-70       58.3    16.6  Favored     1   7  11  0.13  15  0.40  molprobity  
1071  1071  ?          65.5     6.0  Favored     ?   3   4  0.39   5  0.57  molprobity  
1072  1072  tt0      -119.2   -54.2  Favored     ?   8   9  0.25  12  0.45  molprobity  
1073  1073  m-85      -94.9   150.7  Favored     ?   9  12  0.43  16  0.34  molprobity  
1074  1074  p        -130.9    21.0  Favored     ?   5   6  0.24   8  0.25  molprobity  
1075  1075  tp       -164.5   122.6  Allowed     ?  11   8  0.24  11  0.56  molprobity  
1076  1076  ?        -138.2   114.7  Favored     ?   5   5  0.24   7  0.51  molprobity  
1077  1077  t        -121.8    35.6  Allowed     ?   9   7  0.36  10  0.60  molprobity  
1078  1078  m         -71.5   134.8  Favored     ?   9   7  0.36  10  0.58  molprobity  
1079  1079  p          61.8    57.2  Favored     ?   5   6  0.34   8  0.55  molprobity  
1080  1080  mt       -104.2  -172.4  Favored     ?  11   8  0.24  11  0.57  molprobity  
1081  1081  t30      -125.4    27.8  Favored     ?   6   8  0.27  11  0.25  molprobity  
1082  1082  pt        -88.1   152.7  Favored     ?  11   8  0.26  11  0.38  molprobity  
1083  1083  m         -85.2   -42.3  Favored     ?   7   7  0.19  10  0.53  molprobity  
1084  1084  p        -136.0   152.8  Favored     ?   5   6  0.22   8  0.46  molprobity  
1085  1085  mt        -62.0   -63.4  Allowed     ?  11   8  0.17  11  0.49  molprobity  
1086  1086  ?          75.9    38.5  Favored     ?   3   4  0.33   5  0.47  molprobity  
1087  1087  mt        -99.6    38.3  Allowed     ?  11   8  0.18  11  0.54  molprobity  
1088  1088  ptp85     -54.8    -9.7  Allowed     ?  13  11  0.19  14  0.49  molprobity  
1089  1089  m        -104.1     5.0  Favored     ?   5   6  0.21   8  0.37  molprobity  
1090  1090  tp        -73.0   129.1  Favored     ?  11   8  0.19  11  0.26  molprobity  
1091  1091  mmtp     -123.2   -19.9  Favored     ?  13   9  0.21  11  0.71  molprobity  
1092  1092  tt0      -155.5   143.0  Favored     ?   6   9  0.23  12  0.47  molprobity  
1093  1093  mt       -124.5    93.8  Favored     ?  11   8  0.32  11  0.73  molprobity  
1094  1094  m         -67.3   -13.6  Favored     ?   5   6  0.18   8  0.52  molprobity  
1095  1095  t0       -171.3   152.8  Favored     ?   4   8  0.16  11  0.41  molprobity  
1096  1096  ?          91.9   152.5  Favored     ?   3   4  0.21   5  0.59  molprobity  
1097  1097  m-20      -71.1  -178.1  Allowed     ?   4   8  0.23  11  0.42  molprobity  
1098  1098  p        -142.4   122.8  Favored     ?   9   7  0.46  10  0.52  molprobity  
1099  1099  tt       -116.5   118.6  Favored     ?  11   8  0.27  11  0.45  molprobity  
1100  1100  mt       -129.8    91.8  Allowed     ?  11   8  0.31  11  0.76  molprobity  
1101  1101  p        -154.5   155.8  Favored     ?   5   6  0.24   8  0.28  molprobity  
1102  1102  ?          86.9    -8.8  Favored     ?   3   4  0.48   5  0.53  molprobity  
1103  1103  m-20      -67.1   132.5  Favored     ?   6   8  0.20  11  0.33  molprobity  
1104  1104  ttpt      -64.2   -59.9  Favored     ?  13   9  0.20  11  0.26  molprobity  
1105  1105  p-10     -126.2    84.8  Favored     ?   6   8  0.19  11  0.46  molprobity  
1106  1106  tt       -146.3   116.9  Favored     ?  11   8  0.30  11  0.62  molprobity  
1107  1107  p        -127.2  -167.7  Allowed     ?   4   6  0.31   8  1.46  molprobity  
1108  1108  m-85       79.0    -2.7  Favored     ?   9  13  0.52  18  0.71  molprobity  
1109  1109  ?         -84.5   -20.1  Favored     ?   5   5  0.34   7  0.46  molprobity  
1110  1110  p30       -87.1    -3.5  Favored     ?   6   8  0.26  11  0.39  molprobity  
1111  1111  p         -92.2   -37.1  Favored     ?   7   7  0.14  10  0.54  molprobity  
1112  1112  mt        -61.5   130.2  Favored     ?  11   8  0.30  11  0.35  molprobity  
1113  1113  t-20      -81.5    89.7  Favored     ?   6   8  0.18  11  0.56  molprobity  
1114  1114  m95       -63.8   -15.6  Favored     ?  10  16  0.21  23  0.26  molprobity  
1115  1115  mmtt      -63.1   -10.3  Favored     ?  13   9  0.23  11  0.33  molprobity  
1116  1116  tttt      -84.2   -47.1  Favored     ?  13   9  0.21  11  0.22  molprobity  
1117  1117  mt        -64.6   -40.9  Favored     ?  11   8  0.21  11  0.31  molprobity  
1118  1118  m-85      -57.1   132.0  Favored     ?   9  12  0.39  16  0.23  molprobity  
1119  1119  ?        -114.9    33.9  Favored     ?   3   4  0.29   5  0.16  molprobity  
1120  1120  m        -160.7   138.1  Favored     ?   7   7  0.20  10  0.54  molprobity  
1121  1121  p         -70.0   135.0  Favored     ?   5   6  0.18   8  0.31  molprobity  
1122  1122  ?          96.5    34.3  Favored     ?   3   4  0.41   5  0.54  molprobity  
1123  1123  mt-30    -110.1   128.3  Favored     ?   8   9  0.29  12  0.38  molprobity  
1124  1124  mttp     -100.9  -173.9  Favored     ?  13   9  0.26  11  0.40  molprobity  
1125  1125  t        -157.4   128.8  Favored     ?   7   7  0.24  10  0.53  molprobity  
1126  1126  ttpt     -117.0   107.9  Favored     ?  13   9  0.23  11  0.48  molprobity  
1127  1127  mt       -129.5    95.8  Favored     ?  11   8  0.29  11  0.57  molprobity  
1128  1128  pt       -139.1   151.9  Favored     ?  11   8  0.17  11  0.49  molprobity  
1129  1129  m          61.0    30.4  Favored     ?   5   6  0.22   8  0.33  molprobity  
1130  1130  m-20      -82.9  -168.0  Allowed     ?   6   8  0.22  11  0.48  molprobity  
1131  1131  tpt180    -60.0   134.2  Favored     ?  13  11  0.20  14  0.32  molprobity  
1132  1132  ?         -52.7   149.3  Favored     ?   3   4  0.23   5  0.30  molprobity  
1133  1133  mp0       -61.1   -60.9  Favored     ?   6   9  0.27  12  0.34  molprobity  
1134  1134  p30       -71.9   -12.3  Favored     ?   6   8  0.21  11  0.39  molprobity  
1135  1135  t         -74.2   -37.1  Favored     ?   5   6  0.17   8  0.29  molprobity  
1136  1136  p        -105.1   -13.7  Favored     ?   4   6  0.26   8  0.70  molprobity  
1137  1137  tmtt?     -62.9   -39.6  Favored     ?  13   9  0.22  11  0.24  molprobity  
1138  1138  ?         -78.4    10.3  Favored     ?   5   5  0.28   7  0.46  molprobity  
1139  1139  p        -132.5    32.6  Favored     ?   7   7  0.20  10  0.49  molprobity  
1140  1140  ?          68.4    -7.3  Favored     ?   3   4  0.34   5  0.75  molprobity  
1141  1141  mm100     -77.0    70.5  Favored     1   8   9  0.21  12  0.26  molprobity  
1142  1142  p        -138.0   159.0  Favored     ?   9   7  0.15  10  0.50  molprobity  
1143  1143  m         -51.9   149.0  Favored     ?   4   6  0.23   8  0.39  molprobity  
1144  1144  t-80      -67.7   175.1  Favored     ?   7  11  0.20  15  0.38  molprobity  
1145  1145  ?         -75.5   -59.5  Favored     ?   5   5  0.26   7  0.37  molprobity  
1146  1146  OUTLIER   -80.4    55.2  Favored     ?  11   8  0.68  11  0.65  molprobity  
1147  1147  m        -131.6   148.7  Favored     ?   4   6  0.72   8  1.17  molprobity  
1148  1148  p         -59.1   144.7  Favored     ?   5   6  1.10   9  0.87  molprobity  
1149  1149  Cg_endo   -64.4    -1.2  Favored     ?   7   8  0.40  11  0.58  molprobity  
1150  1150  mt-10     -55.9   -26.4  Favored     ?   6   9  0.67  12  0.69  molprobity  
1151  1151  ?         143.9  -178.2  Favored     ?   3   4  0.33   5  0.89  molprobity  
1152  1152  p        -164.6   151.8  Favored     ?   4   6  0.38   8  0.58  molprobity  
1153  1153  m95       -95.8     4.6  Favored     ?  10  16  0.22  23  0.27  molprobity  
1154  1154  ?         174.9   179.6  Favored     ?   3   4  0.53   6  0.44  molprobity  
1155  1155  Cg_endo   -83.3   -21.2  Favored     ?   7   8  0.25  11  0.48  molprobity  
1156  1156  mm-40     -75.7   147.9  Favored     ?   6   9  0.26  13  0.31  molprobity  
1157  1157  Cg_exo    -59.5   -24.5  Favored     ?   7   8  0.30  11  0.39  molprobity  
1158  1158  ptt-85    -77.3    -7.7  Favored     ?  13  11  0.20  14  0.40  molprobity  
1159  1159  m-20      -91.6    -2.5  Favored     ?   4   8  0.16  11  0.46  molprobity  
1160  1160  m         -91.4   133.5  Favored     ?   4   6  0.74   8  0.61  molprobity  
1161  1161  OUTLIER   -79.0   116.8  Favored     ?   9   7  0.83  10  0.87  molprobity  
1162  1162  OUTLIER    72.2   155.8  Allowed     ?   5   6  0.85   8  0.94  molprobity  
1163  1163  m        -119.4   165.0  Favored     ?   4   6  0.72   8  0.73  molprobity  
1164  1164  tpp180    -69.2   -45.0  Favored     ?  13  11  0.51  14  0.61  molprobity  
1165  1165  m120     -117.8   -78.7  Allowed     ?   6   8  0.22  11  0.30  molprobity  
1166  1166  m        -135.1  -166.5  Allowed     ?   9   7  0.19  10  0.36  molprobity  
1167  1167  p        -155.6   148.2  Favored     ?   5   6  0.19   8  0.36  molprobity  
1168  1168  mmt85    -110.6    66.1  Allowed     ?  13  11  0.15  14  0.35  molprobity  
1169  1169  ?          89.8  -101.3  Favored     ?   3   4  0.22   5  0.26  molprobity  
1170  1170  ptt-85   -102.8     9.1  Favored     ?  13  11  0.16  14  0.30  molprobity  
1171  1171  tt0      -131.8   145.5  Favored     ?   6   9  0.17  12  0.31  molprobity  
1172  1172  m         -88.9   149.7  Favored     ?   4   6  0.29   8  0.24  molprobity  
1173  1173  m        -139.8   170.3  Favored     ?   9   7  0.17  10  0.34  molprobity  
1174  1174  p-10      -83.9   -29.7  Favored     ?   4   8  0.14  11  0.33  molprobity  
1175  1175  pttp     -168.4   146.7  Favored     ?  13   9  0.19  11  0.56  molprobity  
1176  1176  OUTLIER   -64.4   161.0  Favored     ?   4   6  0.67   8  1.02  molprobity  
1177  1177  m-20      -83.6    57.4  Favored     ?   6   8  0.69  11  0.45  molprobity  
1178  1178  mt        -83.7   149.1  Favored     ?  11   8  0.21  11  0.38  molprobity  
1179  1179  mt         71.5   -67.0  Allowed     ?  11   8  0.19  11  0.31  molprobity  
1180  1180  pm0      -108.5  -154.4  Allowed     ?   6   9  0.24  12  0.28  molprobity  
1181  1181  ?          90.4   176.4  Favored     ?   3   4  0.22   5  0.33  molprobity  
1182  1182  tp10      -88.6   -52.8  Allowed     ?   6   9  0.24  13  0.39  molprobity  
1183  1183  Cg_exo    -95.1   129.2  Allowed     ?   7   8  0.34  11  0.49  molprobity  
1184  1184  mmp_?     -70.9   143.0  Favored     ?  13  11  0.21  14  0.38  molprobity  
1185  1185  mt-10    -139.8   170.6  Favored     ?   6   9  0.23  12  0.37  molprobity  
1186  1186  p90      -138.4   167.5  Favored     ?   9  12  0.32  16  0.21  molprobity  
1187  1187  t        -118.7   121.7  Favored     ?   9   7  0.17  10  0.71  molprobity  
1188  1188  mt-10    -148.2   123.9  Favored     ?   6   9  0.22  12  0.32  molprobity  
1189  1189  m-20       60.2    31.5  Favored     ?   6   8  0.20  11  0.31  molprobity  
1190  1190  m          66.6    30.0  Favored     ?   5   6  0.24   8  0.28  molprobity  
1191  1191  mt-10    -120.6   143.3  Favored     ?   6   9  0.16  12  0.29  molprobity  
1192  1192  m        -101.7   109.3  Favored     ?   4   6  0.18   8  0.30  molprobity  
1193  1193  mp       -110.6   135.8  Favored     ?  11   8  0.13  11  0.45  molprobity  
1194  1194  mt-30     -70.5   143.8  Favored     ?   8   9  0.65  12  0.44  molprobity  
1195  1195  m         -73.0   149.7  Favored     ?   4   6  0.73   8  1.34  molprobity  
1196  1196  t60       -50.6   133.2  Favored     ?   7  11  0.13  16  0.55  molprobity  
1197  1197  Cg_exo    -46.4   -27.7  Favored     ?   7   8  0.16  11  0.29  molprobity  
1198  1198  mm-40     -84.9    29.4  Allowed     ?   6   9  0.21  12  0.30  molprobity  
1199  1199  m        -109.0   116.2  Favored     ?   4   6  0.26   8  0.23  molprobity  
1200  1200  tt        -62.3   124.3  Favored     ?  11   8  0.20  12  0.67  molprobity  
1201  1201  Cg_endo   -52.3   107.2  Allowed     ?   7   8  0.28  11  0.55  molprobity  
1202  1202  mm-40     -88.4   111.8  Favored     ?   8   9  0.21  12  0.28  molprobity  
1203  1203  ?         -82.1   -10.0  Favored     ?   5   5  0.16   7  0.28  molprobity  
1204  1204  mmt       -95.2   -87.6  Allowed     ?   9   8  0.24  10  0.49  molprobity  
1205  1205  m-20      -88.2  -153.4  Allowed     ?   6   8  0.23  11  0.29  molprobity  
1206  1206  pt        -71.6  -179.4  Allowed     ?  11   8  0.18  11  0.41  molprobity  
1207  1207  m        -112.9   -46.9  Favored     ?   7   7  0.21  10  0.60  molprobity  
1208  1208  p        -146.3   171.6  Favored     ?   4   6  0.17   8  0.27  molprobity  
1209  1209  p        -126.1    20.8  Favored     ?   7   7  0.22  10  0.60  molprobity  
1210  1210  ?        -178.0   178.5  Favored     ?   3   4  0.29   5  0.23  molprobity  
1211  1211  mtt85     -75.8   -46.9  Favored     ?  13  11  0.14  14  0.27  molprobity  
1212  1212  ?         -67.9   156.6  Favored     ?   3   4  0.24   6  0.82  molprobity  
1213  1213  Cg_endo   -65.3    -1.2  Favored     ?   7   8  0.23  11  0.48  molprobity  
1214  1214  m-20      -80.0   -14.8  Favored     ?   4   8  0.10  11  0.38  molprobity  
1215  1215  m120     -105.0    -7.7  Favored     ?   6   8  0.64  11  0.53  molprobity  
1216  1216  m         -46.8   122.3  Favored     ?   4   6  0.76   8  1.21  molprobity  
1217  1217  mt        -59.9   -41.8  Favored     ?  11   8  0.75  11  0.62  molprobity  
1218  1218  tt0      -142.2   133.8  Favored     ?   8   9  0.61  12  0.53  molprobity  
1219  1219  m         -73.5   142.8  Favored     ?   4   6  0.79   8  0.70  molprobity  
1220  1220  ?         -72.2   -41.7  Favored     ?   5   5  0.73   7  0.64  molprobity  
1221  1221  m80      -108.8  -104.7  Allowed     ?   7  11  0.15  15  0.21  molprobity  
1222  1222  m-85     -102.5   169.1  Favored     ?   9  13  0.21  18  0.18  molprobity  
1223  1223  tt       -132.4   104.6  Favored     ?  11   8  0.18  11  0.41  molprobity  
1224  1224  t0        -92.2    85.8  Favored     ?   4   8  0.12  11  0.29  molprobity  
1225  1225  ?          65.5  -137.8  Favored     ?   3   4  0.22   6  0.82  molprobity  
1226  1226  Cg_endo   -59.1   -31.3  Favored     ?   7   8  0.23  11  0.53  molprobity  
1227  1227  m-70      -89.8   155.4  Favored     ?   7  11  0.14  15  0.30  molprobity  
1228  1228  m        -102.6   110.3  Favored     ?   4   6  0.24   8  0.26  molprobity  
1229  1229  t        -106.2   154.1  Favored     ?   9   7  0.17  10  0.48  molprobity  
1230  1230  tttt      -76.2   -44.2  Favored     ?  13   9  0.22  11  0.30  molprobity  
1231  1231  p        -144.1   128.7  Favored     ?   7   7  0.23  10  0.62  molprobity  
1232  1232  m         -50.6   136.3  Favored     ?   4   6  0.97   9  1.09  molprobity  
1233  1233  Cg_exo    -45.6   138.2  Favored     ?   7   8  0.38  11  0.74  molprobity  
1234  1234  ?        -145.0    67.2  Allowed     ?   5   5  0.81   7  0.70  molprobity  
1235  1235  ?         136.9    14.4  Allowed     ?   3   4  0.19   5  0.24  molprobity  
1236  1236  t         -77.2   136.7  Favored     ?   9   7  0.16  10  0.45  molprobity  
1237  1237  tpp       -62.0   141.0  Favored     ?   9   8  0.21  10  0.30  molprobity  
1238  1238  ?        -130.6  -155.8  Favored     ?   3   4  0.26   5  0.25  molprobity  
1239  1239  tp10      -81.7   151.9  Favored     ?   6   9  0.18  12  0.29  molprobity  
1240  1240  t30        55.0    30.4  Favored     ?   6   8  0.22  11  0.32  molprobity  
1241  1241  t30        62.2    16.8  Favored     ?   6   8  0.24  11  0.33  molprobity  
1242  1242  m         -86.6   127.5  Favored     ?   7   7  0.25  10  0.58  molprobity  
1243  1243  mp        -64.5   174.9  Allowed     ?  11   8  0.21  11  0.35  molprobity  
1244  1244  t        -135.1   122.7  Favored     ?   9   7  0.14  10  0.48  molprobity  
1245  1245  m95      -128.0   133.2  Favored     ?  10  16  0.15  23  0.17  molprobity  
1246  1246  mttt     -128.4   171.8  Favored     ?  13   9  0.20  11  0.28  molprobity  
1247  1247  p90      -141.0   155.3  Favored     ?   9  13  0.23  18  0.21  molprobity  
1248  1248  ?         -98.6   121.2  Favored     ?   5   5  0.12   7  0.23  molprobity  
1249  1249  t0        -89.5  -134.2  Allowed     ?   4   8  0.16  11  0.27  molprobity  
1250  1250  ?         -73.0   -63.8  Allowed     ?   5   5  0.06   7  0.24  molprobity  
1251  1251  ?         -80.6    31.7  Favored     ?   3   4  0.21   5  0.27  molprobity  
1252  1252  m-70       54.9    29.5  Favored     ?   7  11  0.12  15  0.22  molprobity  
1253  1253  t         -86.6   140.9  Favored     ?   9   7  0.15  10  0.42  molprobity  
1254  1254  m         -92.8   122.0  Favored     ?   4   6  0.18   8  0.32  molprobity  
1255  1255  m-70     -125.2   148.6  Favored     ?   7  11  0.14  15  0.32  molprobity  
1256  1256  OUTLIER   -63.7   157.7  Favored     ?  11   8  0.78  11  0.52  molprobity  
1257  1257  OUTLIER   -77.1  -163.2  Allowed     ?   4   6  0.81   8  1.43  molprobity  
1258  1258  t-80      -93.5   141.3  Favored     ?   7  11  0.60  16  0.64  molprobity  
1259  1259  Cg_exo    -42.7   -33.4  Favored     ?   7   8  0.38  11  0.69  molprobity  
1260  1260  m-20      -80.3   -32.4  Favored     ?   6   8  0.67  11  0.57  molprobity  
1261  1261  m         -62.3   105.2  Allowed     ?   4   6  0.17   8  0.28  molprobity  
1262  1262  m         -91.5   -36.4  Favored     ?   7   7  0.23  10  0.59  molprobity  
1263  1263  m-85      -90.0    27.0  Allowed     ?   9  13  0.23  18  0.23  molprobity  
1264  1264  ?          75.2  -175.2  Favored     ?   3   4  0.25   5  0.36  molprobity  
1265  1265  p        -155.8   145.0  Favored     ?   4   6  0.22   8  0.28  molprobity  
1266  1266  p        -100.1     9.8  Favored     ?   7   7  0.23  10  0.57  molprobity  
1267  1267  ?        -164.6   168.2  Favored     ?   3   4  0.19   6  0.82  molprobity  
1268  1268  Cg_exo    -62.3   129.6  Favored     ?   7   8  0.14  11  0.30  molprobity  
1269  1269  ?          63.1  -163.0  Favored     ?   3   4  0.23   5  0.36  molprobity  
1270  1270  mt        -65.8   -31.2  Favored     ?  11   8  0.18  11  0.30  molprobity  
1271  1271  pt-20     -68.2     5.3  Allowed     ?   6   9  0.17  12  0.23  molprobity  
1272  1272  ?        -115.3   -33.7  Allowed     ?   3   4  0.39   5  0.43  molprobity  
1273  1273  p        -111.7   109.8  Favored     ?   4   6  0.93   9  1.50  molprobity  
1274  1274  Cg_endo  -100.6  -144.3  OUTLIER     ?   7   8  0.43  11  0.74  molprobity  
1275  1275  m             ?       ?  ?           ?   7   6  0.63   7  0.53  molprobity  
1276  1276  tp10          ?       ?  ?           ?   5   9  0.28  12  0.34  molprobity  
1277  1277  m         -73.4   153.8  Favored     ?   4   6  0.28   9  0.29  molprobity  
1278  1278  Cg_endo   -65.5   173.9  Favored     ?   7   8  0.15  11  0.43  molprobity  
1279  1279  mt        -68.8   -21.3  Favored     ?  11   8  0.21  11  0.30  molprobity  
1280  1280  m         -65.3   -51.2  Favored     ?   5   6  0.22   8  0.29  molprobity  
1281  1281  m80       -77.8    65.6  Favored     ?   7  11  0.23  15  0.49  molprobity  
1282  1282  t0       -124.8   133.6  Favored     ?   4   8  0.19  11  0.49  molprobity  
1283  1283  ?          71.6    10.6  Favored     ?   3   4  0.42   5  0.44  molprobity  
1284  1284  t80       -66.4   -54.8  Favored     ?   9  13  0.51  18  0.41  molprobity  
1285  1285  OUTLIER   -73.3   124.9  Favored     ?   4   6  0.70   8  0.80  molprobity  
1286  1286  mt        -81.9   -69.7  Allowed     ?  11   8  0.68  11  0.69  molprobity  
1287  1287  m-70      -77.4    76.6  Favored     ?   7  11  0.63  15  0.77  molprobity  
1288  1288  m-20       49.8    18.2  Allowed     ?   4   8  0.15  11  0.53  molprobity  
1289  1289  ?         -75.8   164.8  Favored     ?   3   4  0.39   5  0.51  molprobity  
1290  1290  p        -113.3   126.4  Favored     ?   9   7  0.37  10  0.40  molprobity  
1291  1291  t         -69.7   129.9  Favored     ?   4   6  0.21   8  0.42  molprobity  
1292  1292  ptt?     -125.7   141.8  Favored     ?   9   8  0.23  10  0.62  molprobity  
1293  1293  t80      -103.6   126.4  Favored     ?   9  13  0.38  18  0.38  molprobity  
1294  1294  mt        -93.7   119.1  Favored     ?  11   8  0.29  11  0.47  molprobity  
1295  1295  pm0       -84.6   -20.4  Favored     ?   6   9  0.22  12  0.34  molprobity  
1296  1296  ?         -72.3   -61.0  Allowed     ?   5   5  0.25   7  0.28  molprobity  
1297  1297  mt        -77.6    -9.6  Favored     ?  11   8  0.16  11  0.45  molprobity  
1298  1298  t0         58.4    51.5  Favored     ?   4   8  0.18  11  0.50  molprobity  
1299  1299  mttt     -141.1   173.0  Favored     ?  13   9  0.21  11  0.49  molprobity  
1300  1300  m-85     -115.4   142.7  Favored     ?   9  13  0.45  18  0.29  molprobity  
1301  1301  ?        -144.3   162.1  Favored     ?   5   5  0.31   7  0.59  molprobity  
1302  1302  m         -93.3   173.4  Favored     ?   4   6  0.44   8  0.60  molprobity  
1303  1303  t-20     -135.2    51.8  Favored     ?   6   8  0.17  11  0.54  molprobity  
1304  1304  m         -40.5   136.2  Allowed     ?   4   6  0.58   8  0.61  molprobity  
1305  1305  m         -66.8   164.3  Favored     ?   9   7  0.36  10  0.51  molprobity  
1306  1306  t         -66.7   121.0  Favored     ?   9   7  0.42  10  0.40  molprobity  
1307  1307  ?         130.3   -33.9  Favored     ?   3   4  0.21   5  0.27  molprobity  
1308  1308  m-85     -110.2   145.9  Favored     ?   9  13  0.49  18  0.38  molprobity  
1309  1309  pt       -125.9   176.1  Favored     ?  11   8  0.27  11  0.49  molprobity  
1310  1310  ?         116.7   168.3  Favored     ?   3   4  0.36   5  0.81  molprobity  
1311  1311  tp10      -59.7   -48.3  Favored     ?   6   9  0.29  12  0.28  molprobity  
1312  1312  ptm180   -122.4    43.8  Favored     ?  13  11  0.21  14  0.34  molprobity  
1313  1313  m          56.9    40.9  Favored     ?   4   6  0.57   8  0.50  molprobity  
1314  1314  pm0       -92.4   -27.5  Favored     ?   8   9  0.28  12  0.33  molprobity  
1315  1315  m-85     -102.2   149.4  Favored     ?   9  13  0.51  18  0.34  molprobity  
1316  1316  tpt180    -86.6   149.9  Favored     ?  13  11  0.21  14  0.44  molprobity  
1317  1317  t0        -89.3    92.9  Favored     ?   4   8  0.26  11  0.56  molprobity  
1318  1318  mt        -72.8   -30.3  Favored     ?  11   8  0.19  11  0.47  molprobity  
1319  1319  mttt      -66.7   -37.9  Favored     ?  13   9  0.26  11  0.23  molprobity  
1320  1320  m95      -121.1    31.4  Favored     ?  10  16  0.19  23  0.33  molprobity  
1321  1321  t-105    -178.9   176.5  Allowed     ?  10  16  0.14  23  0.50  molprobity  
1322  1322  pm0           ?       ?  ?           ?   6   8  0.67   9  0.39  molprobity  
#
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    13  HD3     1  0.45  2.17  
  2    21  O       2  0.41  2.21  
  3    25  HD23    2  0.41  2.21  
  4    43  O       3  0.61  2.26  
  5    61  HG12    4  0.48  1.78  
  6    63  H       4  0.48  1.78  
  7    64  OH      1  0.45  2.17  
  8    70  ND2     3  0.61  2.26  
  9    70  OD1     5  0.41  2.53  
 10    74  NH2     6  0.69  2.25  
 11    78  OE2     6  0.69  2.25  
 12   100  ND2     5  0.41  2.53  
 13   101  HB3     7  0.56  1.87  
 14   114  HA      8  0.43  2.53  
 15   118  OE1     9  0.71  2.24  
 16   130  HD2     7  0.56  1.87  
 17   132  O      10  0.67  2.27  
 18   141  HB3    11  0.40  2.03  
 19   149  HD11   11  0.40  2.03  
 20   158  ND2    10  0.67  2.27  
 21   162  O      12  0.45  2.30  
 22   162  OG     12  0.45  2.30  
 23   176  CD1     8  0.43  2.53  
 24   187  OG1    13  0.41  2.51  
 25   198  NH2     9  0.71  2.24  
 26   198  NH1    13  0.41  2.51  
 27   203  OG     14  0.60  2.18  
 28   204  HB2    15  0.44  2.00  
 29   205  HB2    16  0.46  1.97  
 30   206  OD2    14  0.60  2.18  
 31   220  NH1    17  0.58  2.37  
 32   241  HA     18  0.41  1.92  
 33   242  HD3    18  0.41  1.92  
 34   260  HE2    19  0.46  1.96  
 35   269  HE3    19  0.46  1.96  
 36   285  O      20  0.62  2.32  
 37   291  OG     21  0.41  2.39  
 38   295  OE2    22  0.44  2.41  
 39   298  N      22  0.44  2.41  
 40   303  O      21  0.41  2.39  
 41   326  OG     23  0.47  2.48  
 42   327  HD11   24  0.67  1.74  
 43   327  N      23  0.47  2.48  
 44   342  OG     25  0.42  2.37  
 45   342  O      25  0.42  2.37  
 46   343  O      26  0.42  2.20  
 47   344  N      27  0.43  2.52  
 48   344  OD1    27  0.43  2.52  
 49   345  HD22   24  0.67  1.74  
 50   355  OD2    28  0.48  2.30  
 51   357  HD2    29  0.44  1.82  
 52   358  OG1    28  0.48  2.30  
 53   358  HG23   29  0.44  1.82  
 54   378  HA     30  0.47  1.96  
 55   379  HA3    26  0.42  2.20  
 56   397  OE2    31  0.61  2.33  
 57   401  HG12   32  0.44  2.00  
 58   403  HB2    30  0.47  1.96  
 59   405  NH1    20  0.62  2.32  
 60   414  HB3    33  0.48  1.96  
 61   424  HD11   34  0.55  1.88  
 62   427  NH1    31  0.61  2.33  
 63   427  NH2    35  0.45  2.49  
 64   427  HA     36  0.45  2.52  
 65   431  HB2    32  0.44  2.00  
 66   437  HG22   33  0.48  1.96  
 67   439  HD13   34  0.55  1.88  
 68   444  HA     37  0.59  1.83  
 69   451  HD13   38  0.42  1.85  
 70   452  O      39  0.64  2.31  
 71   455  NZ     39  0.64  2.31  
 72   459  HB     40  0.58  1.66  
 73   462  HE21   40  0.58  1.66  
 74   467  HD11   41  0.45  1.98  
 75   470  HB2    37  0.59  1.83  
 76   487  OG     42  0.49  2.13  
 77   491  HA     43  0.43  1.99  
 78   491  H      38  0.42  1.85  
 79   492  CD1    36  0.45  2.52  
 80   495  OE1    44  0.49  2.45  
 81   497  NE     44  0.49  2.45  
 82   498  OD1    35  0.45  2.49  
 83   499  HA     43  0.43  1.99  
 84   501  HB3    42  0.49  2.13  
 85   507  NH1    45  0.50  2.45  
 86   521  HG2    46  0.49  1.94  
 87   522  HD2    46  0.49  1.94  
 88   523  HG2    47  0.44  1.99  
 89   524  OE2    45  0.50  2.45  
 90   525  HZ     48  0.47  1.80  
 91   539  HD12   49  0.50  1.93  
 92   540  HD2    49  0.50  1.93  
 93   540  HB3    47  0.44  1.99  
 94   550  HD3    48  0.47  1.80  
 95   560  ND1    50  0.50  2.27  
 96   564  H      51  0.42  1.84  
 97   568  HG12   52  0.41  1.86  
 98   569  HG2    50  0.50  2.27  
 99   570  H      52  0.41  1.86  
100   571  HB3    53  0.65  1.78  
101   585  HB3    54  0.79  1.63  
102   585  HD2    53  0.65  1.78  
103   592  HG23   51  0.42  1.84  
104   593  HB3    54  0.79  1.63  
105   597  HB3    55  0.43  1.83  
106   599  HB2    56  0.46  1.97  
107   599  HD22   55  0.43  1.83  
108   605  OG1    57  0.54  2.25  
109   609  HD21   56  0.46  1.97  
110   611  O      57  0.54  2.25  
111   653  HG2    58  0.45  2.31  
112   654  N      58  0.45  2.31  
113   661  HB3    41  0.45  1.98  
114   673  HB3    59  0.57  1.86  
115   675  HD23   60  0.46  1.81  
116   675  HA     60  0.46  1.81  
117   676  HB     59  0.57  1.86  
118   704  HG22   61  0.45  1.82  
119   712  OD1    62  0.50  2.21  
120   713  HD12   63  0.41  2.03  
121   714  OG     62  0.50  2.21  
122   722  HG12   64  0.44  1.83  
123   724  H      64  0.44  1.83  
124   728  HG22   65  0.46  1.80  
125   731  HD22   66  0.53  1.74  
126   731  HD21   61  0.45  1.82  
127   733  HG11   63  0.41  2.03  
128   735  NH2    67  0.59  2.36  
129   736  HD11   66  0.53  1.74  
130   739  OE2    67  0.59  2.36  
131   743  HD11   68  0.48  1.95  
132   743  HG21   69  0.41  2.03  
133   745  HA     70  0.41  2.01  
134   761  HD21   65  0.46  1.80  
135   763  OD1    71  0.66  2.28  
136   764  N      71  0.66  2.28  
137   766  HE2    72  0.43  1.84  
138   766  HB2    72  0.43  1.84  
139   775  HA     73  0.55  2.42  
140   781  HG     68  0.48  1.95  
141   781  HB2    70  0.41  2.01  
142   825  OE1    74  0.44  2.39  
143   825  N      74  0.44  2.39  
144   835  O      75  0.43  2.51  
145   836  HA     76  0.72  1.70  
146   836  HA     77  0.43  2.44  
147   837  CD1    73  0.55  2.42  
148   844  HA     76  0.72  1.70  
149   844  CA     77  0.43  2.44  
150   845  N      75  0.43  2.51  
151   854  O      17  0.58  2.37  
152   865  HB2    16  0.46  1.97  
153   866  HB2    15  0.44  2.00  
154   873  O      78  0.54  2.38  
155   887  HG11   69  0.41  2.03  
156   888  SG     79  0.65  2.69  
157   889  NH1    78  0.54  2.38  
158   892  NH1    79  0.65  2.69  
159   924  HD1    80  0.43  1.82  
160   934  NH1    81  0.61  2.33  
161   939  OG1    82  0.50  2.23  
162   943  OG     82  0.50  2.23  
163   944  HB2    80  0.43  1.82  
164   946  O      83  0.60  2.33  
165   954  OE1    84  0.42  2.49  
166   954  HB3    85  0.41  1.85  
167   955  N      86  0.43  2.50  
168   956  OE1    87  0.46  2.49  
169   957  N      87  0.46  2.49  
170   961  NH2    84  0.42  2.49  
171   961  HH21   85  0.41  1.85  
172   962  O      86  0.43  2.50  
173   987  OG     88  0.52  2.41  
174   988  N      88  0.52  2.41  
175   991  O      89  0.57  2.38  
176   994  NZ     89  0.57  2.38  
177  1006  HD23   90  0.40  1.93  
178  1006  HA     90  0.40  1.93  
179  1025  HB3    91  0.64  1.80  
180  1028  HG3    91  0.64  1.80  
181  1033  O      92  0.54  2.34  
182  1037  OE1    93  0.60  2.35  
183  1039  HA     94  0.62  1.81  
184  1049  OE1    95  0.44  2.46  
185  1053  N      96  0.45  2.48  
186  1053  OD1    96  0.45  2.48  
187  1059  ND2    92  0.54  2.34  
188  1064  HB2    94  0.62  1.81  
189  1064  NH1    93  0.60  2.35  
190  1066  NH1    83  0.60  2.33  
191  1070  HB3    97  0.46  1.97  
192  1075  HB3    98  0.41  2.02  
193  1081  ND2    95  0.44  2.46  
194  1082  HG13   99  0.48  1.95  
195  1085  HD11  100  0.43  1.99  
196  1098  HG23   98  0.41  2.02  
197  1099  HD12  101  0.48  1.95  
198  1100  HD13  100  0.43  1.99  
199  1105  HA    102  0.49  1.95  
200  1105  OD1   103  0.43  2.50  
201  1105  N     103  0.43  2.50  
202  1106  HD12   99  0.48  1.95  
203  1108  OH    104  0.49  2.45  
204  1119  O      81  0.61  2.33  
205  1126  HE3   101  0.48  1.95  
206  1131  HB2   102  0.49  1.95  
207  1136  HB2   105  0.49  1.94  
208  1141  HB2   105  0.49  1.94  
209  1141  NE2   104  0.49  2.45  
210  1163  SG    106  0.46  2.55  
211  1166  HG23  107  0.81  1.62  
212  1167  HB3   106  0.46  2.55  
213  1168  HD3   108  0.48  1.95  
214  1173  HG23  107  0.81  1.62  
215  1176  SG    109  0.55  2.47  
216  1182  HB3   110  0.85  1.57  
217  1182  CB    111  0.42  2.37  
218  1183  HD3   110  0.85  1.57  
219  1183  HD3   111  0.42  2.37  
220  1184  NH1   112  0.70  2.05  
221  1184  HD2   113  0.62  1.79  
222  1186  CE1   114  0.47  2.49  
223  1187  HG22  109  0.55  2.47  
224  1192  HB2   108  0.48  1.95  
225  1193  HG21  115  0.57  1.86  
226  1193  HB    114  0.47  2.49  
227  1193  HD12  116  0.44  2.32  
228  1193  N     116  0.44  2.32  
229  1201  HB3   112  0.70  2.05  
230  1201  HA    113  0.62  1.79  
231  1211  HG2   115  0.57  1.86  
232  1213  HB2   117  0.58  1.69  
233  1224  HA    118  0.53  1.91  
234  1225  HA3   119  0.43  1.83  
235  1226  HD2   119  0.43  1.83  
236  1228  H     117  0.58  1.69  
237  1246  HG2   120  0.48  1.94  
238  1254  HB2   118  0.53  1.91  
239  1256  HA    120  0.48  1.94  
240  1258  HB2   121  0.57  1.85  
241  1265  CB    122  0.59  2.32  
242  1265  HB3   123  0.50  1.93  
243  1269  HA2   121  0.57  1.85  
244  1273  HB3   122  0.59  2.32  
245  1273  HB3   123  0.50  1.93  
246  1319  HE3    97  0.46  1.97  
#
loop_
_pdbx_vrpt_model_instance_map_fitting.ordinal
_pdbx_vrpt_model_instance_map_fitting.instance_id
_pdbx_vrpt_model_instance_map_fitting.residue_inclusion
_pdbx_vrpt_model_instance_map_fitting.Q_score
   1     1   0.625   0.278  
   2     2     1.0   0.382  
   3     3  0.8889   0.455  
   4     4     1.0   0.593  
   5     5  0.8889   0.457  
   6     6     1.0   0.538  
   7     7     1.0   0.565  
   8     8     1.0   0.530  
   9     9     1.0   0.584  
  10    10     1.0   0.465  
  11    11     1.0   0.426  
  12    12     1.0   0.550  
  13    13     1.0   0.561  
  14    14     1.0   0.593  
  15    15     1.0   0.517  
  16    16     1.0   0.525  
  17    17     1.0   0.559  
  18    18     1.0   0.608  
  19    19     1.0   0.494  
  20    20     1.0   0.547  
  21    21  0.8889   0.408  
  22    22   0.875   0.350  
  23    23     1.0   0.532  
  24    24     1.0   0.528  
  25    25     1.0   0.449  
  26    26     1.0   0.453  
  27    27     1.0   0.487  
  28    28     1.0   0.525  
  29    29     1.0   0.548  
  30    30     1.0   0.500  
  31    31     1.0   0.574  
  32    32     1.0   0.546  
  33    33     1.0   0.468  
  34    34     1.0   0.515  
  35    35     1.0   0.547  
  36    36     1.0   0.512  
  37    37     1.0   0.555  
  38    38     1.0   0.549  
  39    39     1.0   0.541  
  40    40     1.0   0.490  
  41    41     1.0   0.553  
  42    42     1.0   0.485  
  43    43   0.875   0.550  
  44    44  0.8571   0.500  
  45    45     1.0   0.575  
  46    46     1.0   0.519  
  47    47     1.0   0.456  
  48    48     1.0   0.447  
  49    49     1.0   0.439  
  50    50     1.0   0.537  
  51    51     1.0   0.480  
  52    52     1.0   0.553  
  53    53     1.0   0.527  
  54    54     1.0   0.515  
  55    55     1.0   0.570  
  56    56     1.0   0.532  
  57    57     1.0   0.497  
  58    58   0.875   0.508  
  59    59     1.0   0.587  
  60    60  0.8889   0.499  
  61    61     1.0   0.535  
  62    62     1.0   0.549  
  63    63     1.0   0.559  
  64    64     1.0   0.523  
  65    65     1.0   0.561  
  66    66     1.0   0.535  
  67    67     1.0   0.546  
  68    68     1.0   0.551  
  69    69     1.0   0.557  
  70    70     1.0   0.510  
  71    71     1.0   0.519  
  72    72     1.0   0.515  
  73    73     1.0   0.435  
  74    74     1.0       ?  
  75    75     1.0   0.570  
  76    76     1.0   0.504  
  77    77     1.0   0.575  
  78    78     1.0   0.569  
  79    79     1.0   0.540  
  80    80     1.0   0.519  
  81    81     1.0   0.581  
  82    82   0.875   0.461  
  83    83     1.0   0.547  
  84    84     1.0   0.566  
  85    85     1.0   0.506  
  86    86     1.0   0.544  
  87    87     1.0   0.526  
  88    88     1.0   0.555  
  89    89     1.0   0.498  
  90    90  0.8889   0.436  
  91    91     1.0   0.338  
  92    92     1.0   0.544  
  93    93     1.0   0.550  
  94    94     1.0   0.546  
  95    95     1.0   0.560  
  96    96     1.0   0.548  
  97    97     1.0   0.533  
  98    98     1.0   0.529  
  99    99     1.0   0.568  
 100   100     1.0   0.476  
 101   101     1.0   0.494  
 102   102     1.0   0.346  
 103   103     1.0   0.499  
 104   104     1.0   0.461  
 105   105  0.7778   0.428  
 106   106     1.0   0.456  
 107   107     1.0   0.533  
 108   108     1.0   0.549  
 109   109     1.0   0.493  
 110   110     1.0   0.516  
 111   111     1.0   0.551  
 112   112     1.0   0.548  
 113   113     1.0   0.529  
 114   114     1.0   0.542  
 115   115     1.0   0.586  
 116   116     1.0   0.540  
 117   117     1.0   0.571  
 118   118  0.8889   0.346  
 119   119     1.0   0.564  
 120   120     1.0   0.563  
 121   121     1.0   0.530  
 122   122     1.0   0.529  
 123   123     1.0   0.544  
 124   124     1.0   0.534  
 125   125     1.0   0.555  
 126   126     1.0   0.584  
 127   127     1.0   0.505  
 128   128     1.0   0.522  
 129   129     1.0   0.446  
 130   130     1.0   0.491  
 131   131     1.0   0.535  
 132   132     1.0   0.544  
 133   133     1.0   0.516  
 134   134     1.0   0.520  
 135   135     1.0   0.520  
 136   136     1.0   0.462  
 137   137     1.0   0.546  
 138   138     1.0   0.500  
 139   139     1.0   0.558  
 140   140     1.0   0.553  
 141   141     1.0   0.482  
 142   142     1.0   0.474  
 143   143     1.0   0.529  
 144   144     1.0   0.485  
 145   145     1.0   0.484  
 146   146     1.0   0.438  
 147   147     1.0   0.513  
 148   148     1.0   0.555  
 149   149     1.0   0.509  
 150   150     1.0   0.450  
 151   151     1.0   0.526  
 152   152     1.0   0.547  
 153   153     1.0   0.548  
 154   154     1.0   0.551  
 155   155     1.0   0.442  
 156   156     1.0   0.529  
 157   157     1.0   0.493  
 158   158     1.0   0.508  
 159   159     0.8   0.277  
 160   160     1.0   0.323  
 161   161     1.0   0.346  
 162   162     1.0   0.498  
 163   163     1.0   0.530  
 164   164     1.0   0.472  
 165   165     1.0   0.583  
 166   166     1.0   0.511  
 167   167     1.0   0.425  
 168   168     1.0   0.464  
 169   169     1.0   0.438  
 170   170     1.0   0.510  
 171   171     1.0   0.527  
 172   172     1.0   0.427  
 173   173     1.0   0.471  
 174   174     1.0   0.562  
 175   175     1.0   0.516  
 176   176     1.0   0.561  
 177   177     1.0   0.529  
 178   178     1.0   0.410  
 179   179     1.0   0.489  
 180   180  0.8889   0.340  
 181   181     1.0   0.477  
 182   182     1.0   0.490  
 183   183     1.0   0.509  
 184   184     1.0   0.572  
 185   185     1.0   0.523  
 186   186     1.0   0.547  
 187   187     1.0   0.540  
 188   188     1.0   0.595  
 189   189     1.0   0.494  
 190   190     1.0   0.513  
 191   191     1.0   0.493  
 192   192     1.0   0.503  
 193   193     1.0   0.478  
 194   194     1.0   0.356  
 195   195     1.0   0.526  
 196   196     1.0   0.513  
 197   197     1.0   0.574  
 198   198     1.0   0.498  
 199   199     1.0   0.502  
 200   200     1.0   0.525  
 201   201     1.0   0.446  
 202   202  0.8889   0.473  
 203   203     1.0   0.382  
 204   204     1.0   0.516  
 205   205     1.0   0.469  
 206   206     1.0   0.358  
 207   207     1.0   0.525  
 208   208     1.0   0.518  
 209   209     1.0   0.518  
 210   210     1.0   0.466  
 211   211     1.0   0.521  
 212   212     1.0   0.546  
 213   213     1.0   0.521  
 214   214     1.0   0.566  
 215   215     1.0   0.554  
 216   216     1.0   0.531  
 217   217     1.0   0.500  
 218   218     1.0   0.496  
 219   219     1.0   0.535  
 220   220     1.0   0.498  
 221   221  0.8889   0.481  
 222   222     1.0   0.498  
 223   223     1.0   0.404  
 224   224     1.0   0.546  
 225   225     1.0   0.468  
 226   226     1.0   0.504  
 227   227     1.0   0.510  
 228   228     1.0   0.542  
 229   229  0.7778   0.496  
 230   230     1.0   0.558  
 231   231     1.0   0.504  
 232   232     1.0   0.493  
 233   233  0.7778   0.325  
 234   234     1.0   0.557  
 235   235     1.0   0.456  
 236   236     1.0   0.500  
 237   237     1.0   0.525  
 238   238   0.875   0.446  
 239   239     1.0   0.538  
 240   240     1.0   0.490  
 241   241     1.0   0.559  
 242   242     1.0   0.533  
 243   243     1.0   0.522  
 244   244     1.0   0.532  
 245   245     1.0   0.543  
 246   246     1.0   0.532  
 247   247     1.0   0.485  
 248   248     1.0   0.508  
 249   249     1.0   0.479  
 250   250     1.0   0.461  
 251   251     1.0   0.562  
 252   252     1.0   0.457  
 253   253     1.0   0.591  
 254   254     1.0   0.450  
 255   255     1.0   0.512  
 256   256     1.0   0.495  
 257   257     1.0   0.486  
 258   258     1.0   0.419  
 259   259     1.0   0.493  
 260   260     1.0   0.543  
 261   261     1.0   0.574  
 262   262     1.0   0.499  
 263   263     1.0   0.537  
 264   264     1.0   0.483  
 265   265     1.0   0.555  
 266   266     1.0   0.485  
 267   267     1.0   0.555  
 268   268     1.0   0.432  
 269   269     1.0   0.516  
 270   270     1.0   0.474  
 271   271     1.0   0.490  
 272   272     1.0   0.508  
 273   273     1.0   0.521  
 274   274     1.0   0.508  
 275   275     1.0   0.552  
 276   276     1.0   0.490  
 277   277     1.0   0.529  
 278   278     1.0   0.458  
 279   279     1.0   0.452  
 280   280     1.0   0.503  
 281   281     1.0   0.357  
 282   282     1.0   0.557  
 283   283     1.0   0.536  
 284   284     1.0   0.476  
 285   285     1.0   0.607  
 286   286     1.0   0.551  
 287   287     1.0   0.310  
 288   288     1.0   0.443  
 289   289     1.0   0.456  
 290   290   0.875   0.269  
 291   291     1.0   0.429  
 292   292     1.0   0.441  
 293   293     1.0   0.508  
 294   294     1.0   0.431  
 295   295     1.0   0.385  
 296   296  0.8889   0.379  
 297   297   0.875   0.339  
 298   298     1.0   0.423  
 299   299     1.0   0.445  
 300   300     1.0   0.560  
 301   301  0.8889   0.457  
 302   302     1.0   0.432  
 303   303     1.0   0.357  
 304   304  0.7778   0.479  
 305   305     1.0   0.479  
 306   306     1.0   0.403  
 307   307     1.0   0.279  
 308   308     1.0   0.396  
 309   309     1.0   0.371  
 310   310     1.0   0.467  
 311   311  0.8889   0.473  
 312   312     1.0   0.434  
 313   313     1.0   0.560  
 314   314     1.0   0.518  
 315   315     1.0   0.564  
 316   316     1.0   0.511  
 317   317     1.0   0.466  
 318   318   0.875   0.466  
 319   319     1.0   0.436  
 320   320     1.0   0.415  
 321   321     1.0   0.498  
 322   322  0.8889   0.375  
 323   323   0.875   0.358  
 324   324     1.0   0.459  
 325   325     1.0   0.458  
 326   326     1.0   0.522  
 327   327     1.0   0.564  
 328   328     1.0   0.516  
 329   329     1.0   0.505  
 330   330     1.0   0.495  
 331   331     1.0   0.452  
 332   332     1.0   0.424  
 333   333     1.0   0.434  
 334   334     1.0   0.490  
 335   335     1.0   0.506  
 336   336     1.0   0.497  
 337   337     1.0   0.531  
 338   338     1.0   0.517  
 339   339     1.0   0.487  
 340   340     1.0   0.512  
 341   341     1.0   0.518  
 342   342     1.0   0.525  
 343   343     1.0   0.567  
 344   344     1.0   0.439  
 345   345   0.875   0.515  
 346   346     1.0   0.618  
 347   347     1.0   0.530  
 348   348     1.0   0.558  
 349   349     1.0   0.527  
 350   350     1.0   0.492  
 351   351     1.0   0.452  
 352   352     1.0   0.542  
 353   353     1.0   0.514  
 354   354     1.0   0.470  
 355   355     1.0   0.366  
 356   356     1.0   0.510  
 357   357     1.0   0.498  
 358   358     1.0   0.487  
 359   359     1.0   0.515  
 360   360     1.0   0.490  
 361   361     1.0   0.541  
 362   362     1.0   0.570  
 363   363     1.0   0.537  
 364   364     1.0   0.482  
 365   365     1.0   0.470  
 366   366     1.0   0.418  
 367   367  0.6667   0.397  
 368   368     1.0   0.499  
 369   369     1.0   0.477  
 370   370     1.0   0.481  
 371   371     1.0   0.522  
 372   372     1.0   0.560  
 373   373     1.0   0.484  
 374   374     1.0   0.532  
 375   375     1.0   0.506  
 376   376  0.8889   0.497  
 377   377     1.0   0.548  
 378   378     1.0   0.489  
 379   379     1.0   0.577  
 380   380     1.0   0.522  
 381   381     1.0   0.532  
 382   382     1.0   0.519  
 383   383   0.875   0.522  
 384   384     1.0   0.603  
 385   385     1.0   0.597  
 386   386     1.0   0.568  
 387   387     1.0   0.516  
 388   388     1.0   0.486  
 389   389     1.0   0.525  
 390   390     1.0   0.453  
 391   391     1.0   0.517  
 392   392     1.0   0.427  
 393   393     1.0   0.515  
 394   394     1.0   0.526  
 395   395     1.0   0.521  
 396   396     1.0   0.567  
 397   397     1.0   0.479  
 398   398     1.0   0.472  
 399   399     1.0   0.495  
 400   400     1.0   0.528  
 401   401   0.875   0.461  
 402   402     1.0   0.559  
 403   403     1.0   0.534  
 404   404     1.0   0.505  
 405   405     1.0   0.594  
 406   406     1.0   0.492  
 407   407     1.0   0.528  
 408   408     1.0   0.510  
 409   409     1.0   0.551  
 410   410     1.0   0.521  
 411   411     1.0   0.516  
 412   412     1.0   0.540  
 413   413     1.0   0.570  
 414   414     1.0   0.567  
 415   415     1.0   0.553  
 416   416     1.0   0.548  
 417   417     1.0   0.526  
 418   418     1.0   0.540  
 419   419     1.0   0.562  
 420   420     1.0   0.539  
 421   421     1.0   0.519  
 422   422     1.0   0.520  
 423   423     1.0   0.498  
 424   424     1.0   0.528  
 425   425     1.0   0.536  
 426   426     1.0   0.552  
 427   427     1.0   0.549  
 428   428     1.0   0.510  
 429   429     1.0   0.534  
 430   430  0.8889   0.529  
 431   431     1.0   0.413  
 432   432     1.0   0.581  
 433   433     1.0   0.512  
 434   434     1.0   0.462  
 435   435     1.0   0.517  
 436   436     1.0   0.443  
 437   437     1.0   0.568  
 438   438     1.0   0.512  
 439   439     1.0   0.533  
 440   440     1.0   0.492  
 441   441     1.0   0.521  
 442   442     1.0   0.465  
 443   443  0.8889   0.402  
 444   444     1.0   0.521  
 445   445     1.0   0.485  
 446   446     1.0   0.503  
 447   447     1.0   0.459  
 448   448     1.0   0.499  
 449   449     1.0   0.477  
 450   450     1.0   0.520  
 451   451     1.0   0.468  
 452   452     1.0   0.424  
 453   453     1.0   0.567  
 454   454     1.0   0.504  
 455   455     1.0   0.383  
 456   456     1.0   0.501  
 457   457     1.0   0.511  
 458   458     1.0   0.521  
 459   459     1.0   0.461  
 460   460     1.0   0.422  
 461   461     1.0   0.521  
 462   462     1.0   0.493  
 463   463     1.0   0.541  
 464   464     1.0   0.518  
 465   465     1.0   0.556  
 466   466     1.0   0.536  
 467   467     1.0   0.483  
 468   468     1.0   0.473  
 469   469     1.0   0.448  
 470   470     1.0   0.575  
 471   471     1.0   0.474  
 472   472     1.0   0.387  
 473   473     1.0   0.384  
 474   474     1.0   0.425  
 475   475     1.0   0.384  
 476   476  0.8889   0.435  
 477   477     1.0   0.333  
 478   478     1.0   0.391  
 479   479     1.0   0.274  
 480   480  0.8889   0.380  
 481   481     1.0   0.376  
 482   482     1.0   0.302  
 483   483     1.0   0.450  
 484   484     1.0   0.470  
 485   485     1.0   0.384  
 486   486     1.0   0.529  
 487   487     1.0   0.395  
 488   488     1.0   0.498  
 489   489  0.8889   0.369  
 490   490     1.0   0.459  
 491   491     1.0   0.458  
 492   492     1.0   0.556  
 493   493     1.0   0.510  
 494   494     1.0   0.505  
 495   495  0.8889   0.448  
 496   496     1.0   0.473  
 497   497     1.0   0.503  
 498   498     1.0   0.318  
 499   499     1.0   0.529  
 500   500     1.0   0.416  
 501   501     1.0   0.264  
 502   502     1.0   0.494  
 503   503     1.0   0.415  
 504   504     1.0   0.408  
 505   505     1.0   0.351  
 506   506     1.0   0.486  
 507   507     1.0   0.556  
 508   508     1.0   0.406  
 509   509     1.0   0.479  
 510   510     1.0   0.539  
 511   511     1.0   0.548  
 512   512     1.0   0.493  
 513   513     1.0   0.487  
 514   514     1.0   0.385  
 515   515     1.0   0.492  
 516   516     1.0   0.377  
 517   517     1.0   0.390  
 518   518     1.0   0.379  
 519   519  0.7778   0.363  
 520   520     1.0   0.446  
 521   521     1.0   0.388  
 522   522     1.0   0.288  
 523   523     1.0   0.367  
 524   524     1.0   0.437  
 525   525     1.0   0.464  
 526   526     1.0   0.458  
 527   527  0.8889   0.436  
 528   528     1.0   0.329  
 529   529     1.0   0.360  
 530   530  0.8889   0.428  
 531   531     1.0   0.498  
 532   532     1.0   0.395  
 533   533     1.0   0.482  
 534   534     1.0   0.370  
 535   535     1.0   0.401  
 536   536     1.0   0.407  
 537   537     1.0   0.377  
 538   538     1.0   0.423  
 539   539     1.0   0.366  
 540   540     1.0   0.176  
 541   541     1.0   0.242  
 542   542     1.0   0.459  
 543   543     1.0   0.390  
 544   544     1.0   0.558  
 545   545     1.0   0.358  
 546   546     1.0   0.415  
 547   547     1.0   0.416  
 548   548     1.0   0.470  
 549   549     1.0   0.276  
 550   550  0.9091   0.419  
 551   551     1.0   0.355  
 552   552     1.0   0.420  
 553   553   0.875   0.154  
 554   554     1.0   0.501  
 555   555     1.0   0.414  
 556   556     1.0   0.357  
 557   557     1.0   0.410  
 558   558     1.0   0.412  
 559   559     1.0   0.384  
 560   560     1.0   0.342  
 561   561  0.9167   0.211  
 562   562     1.0   0.293  
 563   563     1.0   0.132  
 564   564     1.0   0.265  
 565   565     1.0   0.317  
 566   566     1.0   0.388  
 567   567     1.0   0.329  
 568   568     1.0   0.244  
 569   569  0.6667   0.299  
 570   570  0.5714   0.098  
 571   571     1.0   0.077  
 572   572     1.0   0.269  
 573   573     0.8   0.143  
 574   574     1.0   0.363  
 575   575  0.5714   0.134  
 576   576     1.0   0.312  
 577   577     1.0   0.192  
 578   578  0.7778   0.296  
 579   579    0.25   0.219  
 580   580     0.5   0.157  
 581   581  0.5714   0.091  
 582   582     1.0   0.225  
 583   583  0.8571   0.075  
 584   584     1.0   0.353  
 585   585     1.0   0.300  
 586   586     1.0   0.158  
 587   587     1.0   0.297  
 588   588     1.0   0.071  
 589   589     0.8   0.340  
 590   590     1.0   0.348  
 591   591     1.0   0.075  
 592   592     1.0   0.165  
 593   593     1.0   0.241  
 594   594     1.0   0.212  
 595   595     1.0   0.322  
 596   596     1.0   0.099  
 597   597     1.0   0.254  
 598   598     1.0   0.174  
 599   599   0.625   0.051  
 600   600     1.0   0.292  
 601   601  0.8571   0.347  
 602   602    0.75   0.281  
 603   603     1.0   0.249  
 604   604     1.0   0.335  
 605   605  0.7143   0.391  
 606   606     1.0   0.335  
 607   607  0.8571   0.315  
 608   608     1.0   0.241  
 609   609     1.0   0.393  
 610   610  0.5556   0.219  
 611   611     0.0  -0.332  
 612   612     1.0   0.210  
 613   613  0.1429   0.286  
 614   614  0.7143   0.380  
 615   615     1.0   0.460  
 616   616     1.0   0.454  
 617   617     1.0   0.479  
 618   618   0.875   0.413  
 619   619     1.0   0.452  
 620   620     1.0   0.534  
 621   621     1.0   0.407  
 622   622     1.0   0.449  
 623   623     1.0   0.535  
 624   624     1.0   0.516  
 625   625     1.0   0.481  
 626   626     1.0   0.538  
 627   627     1.0   0.493  
 628   628     1.0   0.568  
 629   629     1.0   0.485  
 630   630     1.0   0.519  
 631   631     1.0   0.527  
 632   632     1.0   0.447  
 633   633   0.875   0.430  
 634   634  0.8889   0.276  
 635   635     1.0   0.518  
 636   636     1.0   0.453  
 637   637   0.875   0.414  
 638   638  0.8889   0.451  
 639   639     1.0   0.502  
 640   640     1.0   0.516  
 641   641     1.0   0.497  
 642   642     1.0   0.524  
 643   643     1.0   0.509  
 644   644     1.0   0.520  
 645   645     1.0   0.516  
 646   646     1.0   0.500  
 647   647     1.0   0.570  
 648   648     1.0   0.523  
 649   649     1.0   0.542  
 650   650     1.0   0.484  
 651   651     1.0   0.579  
 652   652     1.0   0.550  
 653   653     1.0   0.502  
 654   654     1.0   0.543  
 655   655     1.0   0.504  
 656   656     1.0   0.509  
 657   657     1.0   0.558  
 658   658     1.0   0.531  
 659   659     1.0   0.509  
 660   660     1.0   0.416  
 661   661     1.0   0.401  
 662   662   0.875   0.297  
 663   663     1.0   0.400  
 664   664     1.0   0.423  
 665   665     1.0   0.561  
 666   666     1.0   0.416  
 667   667     1.0   0.507  
 668   668     1.0   0.557  
 669   669     1.0   0.517  
 670   670     1.0   0.562  
 671   671     1.0   0.491  
 672   672     1.0   0.530  
 673   673     1.0   0.489  
 674   674     1.0   0.526  
 675   675     1.0   0.546  
 676   676     1.0   0.503  
 677   677     1.0   0.546  
 678   678     1.0   0.576  
 679   679     1.0   0.578  
 680   680     1.0   0.471  
 681   681     1.0   0.548  
 682   682     1.0   0.369  
 683   683     1.0   0.417  
 684   684     1.0   0.549  
 685   685     1.0   0.498  
 686   686     1.0   0.437  
 687   687     1.0   0.446  
 688   688     1.0   0.485  
 689   689     1.0   0.529  
 690   690     1.0   0.542  
 691   691     1.0   0.530  
 692   692     1.0   0.578  
 693   693     1.0   0.503  
 694   694     1.0   0.453  
 695   695     1.0   0.480  
 696   696     1.0   0.532  
 697   697     1.0   0.558  
 698   698     1.0   0.534  
 699   699     1.0   0.577  
 700   700     1.0   0.506  
 701   701     1.0   0.485  
 702   702     1.0   0.576  
 703   703     1.0   0.530  
 704   704     1.0   0.562  
 705   705     1.0   0.497  
 706   706     1.0   0.543  
 707   707     1.0   0.499  
 708   708     1.0   0.438  
 709   709  0.9091   0.481  
 710   710     1.0   0.465  
 711   711     1.0   0.502  
 712   712     1.0   0.473  
 713   713     1.0   0.566  
 714   714     1.0   0.487  
 715   715     1.0   0.568  
 716   716     1.0   0.558  
 717   717     1.0   0.568  
 718   718     1.0   0.512  
 719   719   0.875   0.521  
 720   720     1.0   0.598  
 721   721  0.6667   0.531  
 722   722     1.0   0.536  
 723   723     1.0   0.557  
 724   724     1.0   0.594  
 725   725     1.0   0.521  
 726   726     1.0   0.547  
 727   727     1.0   0.529  
 728   728     1.0   0.576  
 729   729     1.0   0.480  
 730   730     1.0   0.539  
 731   731     1.0   0.508  
 732   732     1.0   0.531  
 733   733     1.0   0.539  
 734   734     1.0   0.462  
 735   735     1.0       ?  
 736   736   0.875   0.527  
 737   737     1.0   0.511  
 738   738     1.0   0.559  
 739   739     1.0   0.532  
 740   740     1.0   0.524  
 741   741     1.0   0.545  
 742   742     1.0   0.588  
 743   743   0.875   0.477  
 744   744     1.0   0.545  
 745   745     1.0   0.589  
 746   746     1.0   0.551  
 747   747     1.0   0.600  
 748   748   0.875   0.528  
 749   749     1.0   0.536  
 750   750     1.0   0.517  
 751   751  0.6667   0.277  
 752   752     1.0   0.392  
 753   753     1.0   0.362  
 754   754     1.0   0.569  
 755   755     1.0   0.533  
 756   756     1.0   0.530  
 757   757     1.0   0.550  
 758   758     1.0   0.534  
 759   759     1.0   0.548  
 760   760     1.0   0.472  
 761   761     1.0   0.540  
 762   762     1.0   0.486  
 763   763     1.0   0.383  
 764   764     1.0   0.487  
 765   765     1.0   0.373  
 766   766  0.8889   0.403  
 767   767     1.0   0.448  
 768   768     1.0   0.516  
 769   769     1.0   0.525  
 770   770  0.8889   0.568  
 771   771     1.0   0.468  
 772   772     1.0   0.578  
 773   773     1.0   0.522  
 774   774     1.0   0.567  
 775   775     1.0   0.574  
 776   776     1.0   0.522  
 777   777     1.0   0.522  
 778   778     1.0   0.565  
 779   779     1.0   0.490  
 780   780     1.0   0.550  
 781   781     1.0   0.572  
 782   782     1.0   0.571  
 783   783     1.0   0.566  
 784   784     1.0   0.525  
 785   785     1.0   0.527  
 786   786     1.0   0.555  
 787   787     1.0   0.588  
 788   788     1.0   0.520  
 789   789     1.0   0.462  
 790   790     1.0   0.504  
 791   791     1.0   0.489  
 792   792     1.0   0.477  
 793   793     1.0   0.580  
 794   794     1.0   0.547  
 795   795     1.0   0.454  
 796   796     1.0   0.537  
 797   797     1.0   0.422  
 798   798     1.0   0.522  
 799   799     1.0   0.511  
 800   800     1.0   0.609  
 801   801     1.0   0.546  
 802   802  0.9091   0.465  
 803   803     1.0   0.457  
 804   804     1.0   0.547  
 805   805     1.0   0.477  
 806   806     1.0   0.471  
 807   807     1.0   0.433  
 808   808   0.875   0.472  
 809   809     1.0   0.535  
 810   810     1.0   0.500  
 811   811     1.0   0.452  
 812   812     1.0   0.521  
 813   813     1.0   0.569  
 814   814     1.0   0.542  
 815   815     1.0   0.555  
 816   816     1.0   0.484  
 817   817     1.0   0.520  
 818   818  0.8889   0.379  
 819   819     1.0   0.473  
 820   820     1.0   0.293  
 821   821     1.0   0.359  
 822   822     1.0   0.461  
 823   823     1.0   0.435  
 824   824     1.0   0.444  
 825   825     1.0   0.382  
 826   826     1.0   0.513  
 827   827     1.0   0.463  
 828   828     1.0   0.431  
 829   829     1.0   0.510  
 830   830     1.0   0.444  
 831   831     1.0   0.483  
 832   832     1.0   0.530  
 833   833     1.0   0.376  
 834   834     1.0   0.528  
 835   835     1.0   0.503  
 836   836     1.0   0.519  
 837   837     1.0   0.597  
 838   838     1.0   0.592  
 839   839     1.0   0.496  
 840   840     1.0   0.459  
 841   841  0.8889   0.364  
 842   842     1.0   0.460  
 843   843     1.0   0.324  
 844   844     1.0   0.269  
 845   845     1.0   0.550  
 846   846     1.0   0.545  
 847   847     1.0   0.517  
 848   848     1.0   0.539  
 849   849     1.0   0.599  
 850   850     1.0   0.453  
 851   851     1.0   0.501  
 852   852     1.0   0.323  
 853   853     1.0   0.376  
 854   854     1.0   0.385  
 855   855     1.0   0.454  
 856   856     1.0   0.554  
 857   857     1.0   0.477  
 858   858     1.0   0.496  
 859   859     1.0   0.544  
 860   860     1.0   0.516  
 861   861     1.0   0.529  
 862   862     1.0   0.498  
 863   863     1.0   0.485  
 864   864     1.0   0.416  
 865   865     1.0   0.497  
 866   866     1.0   0.475  
 867   867     1.0   0.431  
 868   868     1.0   0.522  
 869   869     1.0   0.505  
 870   870     1.0   0.583  
 871   871     1.0   0.409  
 872   872     1.0   0.539  
 873   873     1.0   0.519  
 874   874     1.0   0.425  
 875   875     1.0   0.513  
 876   876     1.0   0.557  
 877   877     1.0   0.506  
 878   878     1.0   0.516  
 879   879     1.0   0.455  
 880   880     1.0   0.512  
 881   881     1.0   0.484  
 882   882  0.8889   0.405  
 883   883     1.0   0.476  
 884   884     1.0   0.409  
 885   885     1.0   0.516  
 886   886     1.0   0.526  
 887   887     1.0   0.515  
 888   888     1.0   0.541  
 889   889     1.0   0.569  
 890   890  0.8889   0.520  
 891   891     1.0   0.584  
 892   892  0.9091   0.521  
 893   893     1.0   0.508  
 894   894  0.7778   0.307  
 895   895     1.0   0.578  
 896   896     1.0   0.451  
 897   897     1.0   0.546  
 898   898     1.0   0.590  
 899   899     1.0   0.474  
 900   900     1.0   0.515  
 901   901     1.0   0.463  
 902   902     1.0   0.535  
 903   903     1.0   0.575  
 904   904     1.0   0.509  
 905   905     1.0   0.530  
 906   906     1.0   0.545  
 907   907     1.0   0.521  
 908   908     1.0   0.506  
 909   909     1.0   0.538  
 910   910     1.0   0.468  
 911   911     1.0   0.483  
 912   912     1.0   0.576  
 913   913     1.0   0.485  
 914   914     1.0   0.546  
 915   915    0.75   0.428  
 916   916     1.0   0.536  
 917   917     1.0   0.557  
 918   918     1.0   0.492  
 919   919  0.7778   0.462  
 920   920     1.0   0.519  
 921   921     1.0   0.590  
 922   922     1.0   0.581  
 923   923     1.0   0.533  
 924   924     1.0   0.558  
 925   925     1.0   0.540  
 926   926     1.0   0.583  
 927   927     1.0   0.484  
 928   928     1.0   0.562  
 929   929     1.0   0.519  
 930   930     1.0   0.529  
 931   931     1.0   0.505  
 932   932     1.0   0.481  
 933   933     1.0   0.533  
 934   934     1.0   0.529  
 935   935     1.0   0.498  
 936   936     1.0   0.545  
 937   937     1.0   0.486  
 938   938     1.0   0.543  
 939   939     1.0   0.457  
 940   940     1.0   0.373  
 941   941     1.0   0.428  
 942   942     1.0   0.475  
 943   943     1.0   0.454  
 944   944     1.0   0.509  
 945   945     1.0   0.471  
 946   946     1.0   0.624  
 947   947     1.0   0.510  
 948   948     1.0   0.362  
 949   949     1.0   0.384  
 950   950     1.0   0.420  
 951   951     1.0   0.396  
 952   952     1.0   0.522  
 953   953     1.0   0.492  
 954   954     1.0   0.480  
 955   955     1.0   0.492  
 956   956     1.0   0.344  
 957   957  0.8889   0.417  
 958   958   0.875   0.392  
 959   959     1.0   0.377  
 960   960     1.0   0.542  
 961   961     1.0   0.552  
 962   962  0.8889   0.481  
 963   963     1.0   0.439  
 964   964  0.8889   0.402  
 965   965  0.8889   0.470  
 966   966     1.0   0.513  
 967   967  0.8889   0.409  
 968   968     1.0   0.374  
 969   969     1.0   0.379  
 970   970     1.0   0.470  
 971   971     1.0   0.475  
 972   972     1.0   0.500  
 973   973     1.0   0.472  
 974   974     1.0   0.534  
 975   975     1.0   0.495  
 976   976     1.0   0.524  
 977   977     1.0   0.503  
 978   978     1.0   0.490  
 979   979   0.875   0.430  
 980   980     1.0   0.400  
 981   981     1.0   0.430  
 982   982     1.0   0.546  
 983   983  0.8889   0.495  
 984   984     1.0   0.338  
 985   985     1.0   0.462  
 986   986     1.0   0.516  
 987   987     1.0   0.519  
 988   988     1.0   0.541  
 989   989     1.0   0.511  
 990   990     1.0   0.464  
 991   991     1.0   0.499  
 992   992     1.0   0.407  
 993   993     1.0   0.477  
 994   994     1.0   0.430  
 995   995     1.0   0.573  
 996   996     1.0   0.544  
 997   997     1.0   0.437  
 998   998     1.0   0.485  
 999   999     1.0   0.523  
1000  1000     1.0   0.528  
1001  1001     1.0   0.505  
1002  1002     1.0   0.504  
1003  1003     1.0   0.539  
1004  1004     1.0   0.600  
1005  1005   0.875   0.354  
1006  1006     1.0   0.535  
1007  1007     1.0   0.554  
1008  1008     1.0   0.562  
1009  1009     1.0   0.547  
1010  1010     1.0   0.514  
1011  1011     1.0   0.464  
1012  1012     1.0   0.499  
1013  1013     1.0   0.531  
1014  1014     1.0   0.491  
1015  1015     1.0   0.557  
1016  1016     1.0   0.413  
1017  1017     1.0   0.436  
1018  1018     1.0   0.467  
1019  1019     1.0   0.455  
1020  1020     1.0   0.487  
1021  1021     1.0   0.466  
1022  1022     1.0   0.522  
1023  1023     1.0   0.551  
1024  1024     1.0   0.548  
1025  1025     1.0   0.409  
1026  1026     1.0   0.472  
1027  1027     1.0   0.450  
1028  1028  0.8889   0.387  
1029  1029     1.0   0.509  
1030  1030     1.0   0.475  
1031  1031     1.0   0.521  
1032  1032     1.0   0.521  
1033  1033     1.0   0.522  
1034  1034     1.0   0.496  
1035  1035     1.0   0.534  
1036  1036  0.8889   0.592  
1037  1037  0.8889   0.495  
1038  1038     1.0   0.561  
1039  1039     1.0   0.498  
1040  1040     1.0   0.560  
1041  1041     1.0   0.490  
1042  1042     1.0   0.518  
1043  1043     1.0   0.526  
1044  1044     1.0   0.563  
1045  1045     1.0   0.609  
1046  1046     1.0   0.543  
1047  1047     1.0   0.573  
1048  1048     1.0   0.505  
1049  1049     1.0   0.421  
1050  1050     1.0   0.480  
1051  1051     1.0   0.507  
1052  1052     1.0   0.505  
1053  1053     1.0   0.431  
1054  1054     1.0   0.513  
1055  1055     1.0   0.484  
1056  1056     1.0   0.508  
1057  1057     1.0   0.580  
1058  1058     1.0   0.462  
1059  1059     1.0   0.494  
1060  1060     1.0   0.527  
1061  1061  0.8889   0.532  
1062  1062   0.875   0.453  
1063  1063     1.0   0.572  
1064  1064     1.0   0.556  
1065  1065     1.0   0.508  
1066  1066     1.0   0.610  
1067  1067     1.0   0.514  
1068  1068     1.0   0.576  
1069  1069     1.0   0.489  
1070  1070     1.0   0.548  
1071  1071     1.0   0.549  
1072  1072     1.0   0.540  
1073  1073     1.0   0.504  
1074  1074     1.0   0.562  
1075  1075     1.0   0.572  
1076  1076     1.0   0.528  
1077  1077     1.0   0.568  
1078  1078     1.0   0.500  
1079  1079     1.0   0.498  
1080  1080     1.0   0.549  
1081  1081     1.0   0.538  
1082  1082     1.0   0.496  
1083  1083     1.0   0.533  
1084  1084     1.0   0.513  
1085  1085   0.875   0.494  
1086  1086     1.0   0.492  
1087  1087     1.0   0.556  
1088  1088     1.0   0.533  
1089  1089     1.0   0.502  
1090  1090     1.0   0.562  
1091  1091     1.0   0.568  
1092  1092  0.7778   0.485  
1093  1093     1.0   0.538  
1094  1094     1.0   0.502  
1095  1095   0.875   0.443  
1096  1096     1.0   0.568  
1097  1097     1.0   0.435  
1098  1098     1.0   0.533  
1099  1099     1.0   0.507  
1100  1100     1.0   0.552  
1101  1101     1.0   0.488  
1102  1102     1.0   0.579  
1103  1103     1.0   0.536  
1104  1104     1.0   0.434  
1105  1105     1.0   0.497  
1106  1106     1.0   0.457  
1107  1107     1.0   0.445  
1108  1108     1.0   0.500  
1109  1109     1.0   0.496  
1110  1110     1.0   0.470  
1111  1111     1.0   0.490  
1112  1112     1.0   0.534  
1113  1113     1.0   0.499  
1114  1114     1.0   0.542  
1115  1115     1.0   0.472  
1116  1116  0.7778   0.447  
1117  1117     1.0   0.536  
1118  1118     1.0   0.488  
1119  1119     1.0   0.574  
1120  1120     1.0   0.495  
1121  1121     1.0   0.423  
1122  1122     1.0   0.474  
1123  1123     1.0   0.541  
1124  1124  0.8889   0.482  
1125  1125     1.0   0.544  
1126  1126     1.0   0.525  
1127  1127     1.0   0.541  
1128  1128     1.0   0.445  
1129  1129     1.0   0.460  
1130  1130     1.0   0.520  
1131  1131     1.0   0.495  
1132  1132     1.0   0.446  
1133  1133     1.0   0.453  
1134  1134     1.0   0.409  
1135  1135     1.0   0.327  
1136  1136     1.0   0.225  
1137  1137     1.0   0.437  
1138  1138     1.0   0.396  
1139  1139     1.0   0.419  
1140  1140     1.0   0.451  
1141  1141  0.8889   0.428  
1142  1142     1.0   0.491  
1143  1143     1.0   0.530  
1144  1144     1.0   0.490  
1145  1145     1.0   0.440  
1146  1146     1.0   0.439  
1147  1147     1.0   0.464  
1148  1148     1.0   0.302  
1149  1149     1.0   0.398  
1150  1150  0.8889   0.424  
1151  1151     1.0   0.489  
1152  1152     1.0   0.488  
1153  1153     1.0   0.578  
1154  1154     1.0   0.583  
1155  1155     1.0   0.544  
1156  1156  0.7778   0.414  
1157  1157     1.0   0.488  
1158  1158     1.0   0.500  
1159  1159     1.0   0.427  
1160  1160     1.0   0.574  
1161  1161  0.8571   0.427  
1162  1162     1.0   0.321  
1163  1163     1.0   0.451  
1164  1164     1.0   0.299  
1165  1165     1.0   0.365  
1166  1166     1.0   0.409  
1167  1167     1.0   0.449  
1168  1168     1.0   0.420  
1169  1169     1.0   0.421  
1170  1170  0.5455   0.173  
1171  1171  0.7778   0.497  
1172  1172     1.0   0.538  
1173  1173     1.0   0.421  
1174  1174     1.0   0.358  
1175  1175     1.0   0.382  
1176  1176     1.0   0.268  
1177  1177     1.0   0.361  
1178  1178     1.0   0.419  
1179  1179     1.0   0.299  
1180  1180  0.8889   0.165  
1181  1181     1.0   0.343  
1182  1182  0.5556   0.182  
1183  1183     1.0   0.488  
1184  1184  0.6364   0.103  
1185  1185  0.8889   0.130  
1186  1186     1.0   0.264  
1187  1187     1.0   0.370  
1188  1188  0.6667   0.294  
1189  1189     1.0   0.390  
1190  1190     1.0   0.271  
1191  1191     1.0   0.439  
1192  1192     1.0   0.518  
1193  1193     1.0   0.381  
1194  1194     1.0   0.426  
1195  1195     1.0   0.340  
1196  1196     1.0   0.268  
1197  1197     1.0   0.356  
1198  1198  0.7778   0.003  
1199  1199     1.0   0.287  
1200  1200     1.0   0.238  
1201  1201     1.0   0.298  
1202  1202  0.7778  -0.040  
1203  1203     1.0   0.528  
1204  1204   0.625   0.238  
1205  1205     1.0   0.189  
1206  1206     1.0   0.424  
1207  1207     1.0   0.388  
1208  1208     1.0   0.449  
1209  1209     1.0   0.306  
1210  1210     1.0   0.492  
1211  1211  0.9091   0.239  
1212  1212     1.0   0.116  
1213  1213     1.0   0.290  
1214  1214     1.0   0.286  
1215  1215     1.0   0.251  
1216  1216     1.0   0.385  
1217  1217   0.875   0.111  
1218  1218  0.6667   0.003  
1219  1219     1.0   0.212  
1220  1220     1.0   0.164  
1221  1221     1.0   0.110  
1222  1222  0.9167   0.186  
1223  1223     1.0   0.374  
1224  1224     1.0   0.243  
1225  1225     1.0   0.159  
1226  1226     1.0   0.217  
1227  1227     1.0   0.380  
1228  1228     1.0   0.330  
1229  1229     1.0   0.209  
1230  1230  0.5556   0.185  
1231  1231  0.5714   0.098  
1232  1232     1.0   0.180  
1233  1233  0.8571   0.291  
1234  1234     0.8   0.083  
1235  1235     1.0   0.207  
1236  1236  0.7143   0.105  
1237  1237   0.875   0.229  
1238  1238     1.0   0.072  
1239  1239  0.5556   0.197  
1240  1240     0.0   0.180  
1241  1241    0.25  -0.036  
1242  1242  0.8571   0.191  
1243  1243     1.0   0.146  
1244  1244     1.0   0.194  
1245  1245     1.0   0.254  
1246  1246  0.8889  -0.005  
1247  1247     1.0   0.176  
1248  1248     1.0  -0.064  
1249  1249    0.75   0.148  
1250  1250     0.0   0.028  
1251  1251     1.0   0.404  
1252  1252     0.9   0.091  
1253  1253     1.0   0.100  
1254  1254     1.0  -0.042  
1255  1255     1.0   0.255  
1256  1256   0.875   0.308  
1257  1257     1.0   0.069  
1258  1258     1.0   0.163  
1259  1259     1.0   0.351  
1260  1260   0.625   0.161  
1261  1261     1.0  -0.148  
1262  1262     1.0   0.216  
1263  1263  0.8333   0.314  
1264  1264     1.0   0.191  
1265  1265     1.0   0.072  
1266  1266  0.2857   0.048  
1267  1267     1.0   0.219  
1268  1268  0.8571   0.285  
1269  1269     1.0   0.067  
1270  1270   0.875   0.207  
1271  1271  0.3333   0.186  
1272  1272     1.0  -0.053  
1273  1273     1.0  -0.017  
1274  1274  0.7143   0.315  
1275  1275  0.4286   0.183  
1276  1276     1.0   0.390  
1277  1277     1.0   0.470  
1278  1278     1.0   0.454  
1279  1279   0.875   0.388  
1280  1280     1.0   0.370  
1281  1281     1.0   0.529  
1282  1282   0.875   0.332  
1283  1283     1.0   0.465  
1284  1284     1.0   0.502  
1285  1285     1.0   0.528  
1286  1286     1.0   0.471  
1287  1287     1.0   0.529  
1288  1288   0.875   0.446  
1289  1289     1.0   0.543  
1290  1290     1.0   0.505  
1291  1291     1.0   0.531  
1292  1292     1.0   0.548  
1293  1293     1.0   0.488  
1294  1294     1.0   0.501  
1295  1295  0.8889   0.341  
1296  1296     1.0   0.479  
1297  1297     1.0   0.528  
1298  1298   0.875   0.460  
1299  1299     1.0   0.555  
1300  1300     1.0   0.536  
1301  1301     1.0   0.540  
1302  1302     1.0   0.528  
1303  1303     1.0   0.565  
1304  1304     1.0   0.541  
1305  1305     1.0   0.523  
1306  1306     1.0   0.507  
1307  1307     1.0   0.576  
1308  1308     1.0   0.551  
1309  1309     1.0   0.499  
1310  1310     1.0   0.585  
1311  1311     1.0   0.496  
1312  1312     1.0   0.563  
1313  1313     1.0   0.538  
1314  1314     1.0   0.512  
1315  1315     1.0   0.585  
1316  1316     1.0   0.574  
1317  1317     1.0   0.431  
1318  1318     1.0   0.574  
1319  1319     1.0   0.501  
1320  1320     1.0   0.540  
1321  1321     1.0   0.485  
1322  1322     1.0   0.385  
#
_pdbx_vrpt_em_details.ordinal                    1
_pdbx_vrpt_em_details.recommended_contour_level  0.2
#
loop_
_pdbx_vrpt_em_graph_atom_inclusion.graph_id
_pdbx_vrpt_em_graph_atom_inclusion.type
atom_inclusion_all_atoms  all_atoms  
atom_inclusion_backbone   backbone   
#
loop_
_pdbx_vrpt_em_2d_graph_info.graph_data_id
_pdbx_vrpt_em_2d_graph_info.graph_id
_pdbx_vrpt_em_2d_graph_info.title
_pdbx_vrpt_em_2d_graph_info.x_axis_title
_pdbx_vrpt_em_2d_graph_info.x_axis_scale
_pdbx_vrpt_em_2d_graph_info.x_axis_units
_pdbx_vrpt_em_2d_graph_info.y_axis_title
_pdbx_vrpt_em_2d_graph_info.y_axis_scale
_pdbx_vrpt_em_2d_graph_info.y_axis_units
d_dvd    map_value_distribution                ?     Map-value            ?     .    "Number of voxels"                  log10  .    
d_raps   rotationally_averaged_power_spectrum  ?     "Spatial frequency"  ?     1/A  Intensity                           log10  .    
d_ve     volume_estimate                       ?     "Contour level"      ?     .    Volume                              ?      nm3  
d_ai_aa  atom_inclusion_all_atoms              ?     "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
d_ai_bb  atom_inclusion_backbone               ?     "Contour level"      ?     .    "Fraction of model inside the map"  ?      .    
#
loop_
_pdbx_vrpt_em_2d_graph_data.ordinal
_pdbx_vrpt_em_2d_graph_data.graph_data_id
_pdbx_vrpt_em_2d_graph_data.x_value
_pdbx_vrpt_em_2d_graph_data.y_value
  1  d_dvd    -0.4535985589               0.0  
  2  d_dvd    -0.4397533325      0.6020599913  
  3  d_dvd     -0.425908106               0.0  
  4  d_dvd    -0.4120628796      0.4771212547  
  5  d_dvd    -0.3982176532      0.6020599913  
  6  d_dvd    -0.3843724268        0.84509804  
  7  d_dvd    -0.3705272003       1.079181246  
  8  d_dvd    -0.3566819739      1.2041199827  
  9  d_dvd    -0.3428367475      1.1760912591  
 10  d_dvd    -0.3289915211      1.4913616938  
 11  d_dvd    -0.3151462946       1.361727836  
 12  d_dvd    -0.3013010682      1.6989700043  
 13  d_dvd    -0.2874558418      1.7160033436  
 14  d_dvd    -0.2736106154       1.806179974  
 15  d_dvd    -0.2597653889      1.8633228601  
 16  d_dvd    -0.2459201625      1.9344984512  
 17  d_dvd    -0.2320749361      1.9242792861  
 18  d_dvd    -0.2182297096      2.1205739312  
 19  d_dvd    -0.2043844832      2.1335389084  
 20  d_dvd    -0.1905392568      2.1903316982  
 21  d_dvd    -0.1766940304      2.2966651903  
 22  d_dvd    -0.1628488039      2.4265112614  
 23  d_dvd    -0.1490035775        2.50242712  
 24  d_dvd    -0.1351583511      2.6830470382  
 25  d_dvd    -0.1213131247      2.8739015979  
 26  d_dvd    -0.1074678982      3.2491983574  
 27  d_dvd    -0.0936226718      3.8168376309  
 28  d_dvd    -0.0797774454      4.4954194426  
 29  d_dvd     -0.065932219      5.1591308751  
 30  d_dvd    -0.0520869925      5.7391956344  
 31  d_dvd    -0.0382417661      6.1916622415  
 32  d_dvd    -0.0243965397      6.5078943091  
 33  d_dvd    -0.0105513132      7.3544064243  
 34  d_dvd     0.0032939132      6.4968281164  
 35  d_dvd     0.0171391396      5.9693963407  
 36  d_dvd      0.030984366      5.3464488217  
 37  d_dvd     0.0448295925      4.7537515355  
 38  d_dvd     0.0586748189      4.4674453071  
 39  d_dvd     0.0725200453      4.3691044856  
 40  d_dvd     0.0863652717      4.2909467847  
 41  d_dvd     0.1002104982      4.2160338778  
 42  d_dvd     0.1140557246      4.1640255243  
 43  d_dvd      0.127900951      4.1057145106  
 44  d_dvd     0.1417461774      4.0514226661  
 45  d_dvd     0.1555914039      4.0159043779  
 46  d_dvd     0.1694366303      3.9710437918  
 47  d_dvd     0.1832818567      3.9292656183  
 48  d_dvd     0.1971270832      3.8820119616  
 49  d_dvd     0.2109723096      3.8468935433  
 50  d_dvd      0.224817536      3.8121777742  
 51  d_dvd     0.2386627624      3.7751004989  
 52  d_dvd     0.2525079889      3.7584576886  
 53  d_dvd     0.2663532153      3.7264826968  
 54  d_dvd     0.2801984417      3.6927588182  
 55  d_dvd     0.2940436681      3.6647359685  
 56  d_dvd     0.3078888946      3.6497241859  
 57  d_dvd      0.321734121      3.6156344689  
 58  d_dvd     0.3355793474      3.6086329895  
 59  d_dvd     0.3494245738      3.5892792212  
 60  d_dvd     0.3632698003      3.5474054597  
 61  d_dvd     0.3771150267      3.5289167003  
 62  d_dvd     0.3909602531      3.5281450783  
 63  d_dvd     0.4048054796      3.5052856741  
 64  d_dvd      0.418650706      3.4776999283  
 65  d_dvd     0.4324959324      3.4614985268  
 66  d_dvd     0.4463411588      3.4398062114  
 67  d_dvd     0.4601863853      3.4385423488  
 68  d_dvd     0.4740316117       3.409256652  
 69  d_dvd     0.4878768381      3.3793055178  
 70  d_dvd     0.5017220645      3.3667963833  
 71  d_dvd      0.515567291      3.3455697561  
 72  d_dvd     0.5294125174      3.3342526423  
 73  d_dvd     0.5432577438      3.3140779918  
 74  d_dvd     0.5571029703      3.2773799747  
 75  d_dvd     0.5709481967      3.2808059284  
 76  d_dvd     0.5847934231      3.2345172835  
 77  d_dvd     0.5986386495      3.2301933789  
 78  d_dvd      0.612483876      3.2095150145  
 79  d_dvd     0.6263291024      3.2008504981  
 80  d_dvd     0.6401743288      3.1806992013  
 81  d_dvd     0.6540195552      3.1673173347  
 82  d_dvd     0.6678647817      3.1332194567  
 83  d_dvd     0.6817100081      3.1041455506  
 84  d_dvd     0.6955552345      3.0909630766  
 85  d_dvd     0.7094004609      3.0674428428  
 86  d_dvd     0.7232456874      3.0449315461  
 87  d_dvd     0.7370909138      3.0261245167  
 88  d_dvd     0.7509361402      3.0199466817  
 89  d_dvd     0.7647813667      2.9982593384  
 90  d_dvd     0.7786265931      2.9684829486  
 91  d_dvd     0.7924718195      2.9425041062  
 92  d_dvd     0.8063170459      2.9216864755  
 93  d_dvd     0.8201622724      2.8987251816  
 94  d_dvd     0.8340074988      2.8785217955  
 95  d_dvd     0.8478527252      2.8549130223  
 96  d_dvd     0.8616979516      2.8075350281  
 97  d_dvd     0.8755431781      2.8286598965  
 98  d_dvd     0.8893884045      2.7535830589  
 99  d_dvd     0.9032336309      2.7226339225  
100  d_dvd     0.9170788573       2.651278014  
101  d_dvd     0.9309240838       2.640481437  
102  d_dvd     0.9447693102      2.6095944092  
103  d_dvd     0.9586145366      2.5440680444  
104  d_dvd     0.9724597631       2.469822016  
105  d_dvd     0.9863049895        2.42975228  
106  d_dvd     1.0001502159       2.357934847  
107  d_dvd     1.0139954423      2.3074960379  
108  d_dvd     1.0278406688      2.2878017299  
109  d_dvd     1.0416858952      2.1731862684  
110  d_dvd     1.0555311216      2.1931245984  
111  d_dvd      1.069376348      2.0899051114  
112  d_dvd     1.0832215745      1.9777236053  
113  d_dvd     1.0970668009      1.9138138524  
114  d_dvd     1.1109120273      1.7781512504  
115  d_dvd     1.1247572537      1.7403626895  
116  d_dvd     1.1386024802      1.6720978579  
117  d_dvd     1.1524477066      1.5051499783  
118  d_dvd      1.166292933      1.4471580313  
119  d_dvd     1.1801381595      1.2304489214  
120  d_dvd     1.1939833859      1.2552725051  
121  d_dvd     1.2078286123      1.0413926852  
122  d_dvd     1.2216738387        0.84509804  
123  d_dvd     1.2355190652        0.84509804  
124  d_dvd     1.2493642916               0.0  
125  d_dvd      1.263209518               0.0  
126  d_dvd     1.2770547444               0.0  
127  d_dvd     1.2908999709               0.0  
128  d_raps             0.0      4.1784042215  
129  d_raps    0.0028951271      4.1784042215  
130  d_raps    0.0057902541      4.7989130396  
131  d_raps    0.0086853812       4.687380428  
132  d_raps    0.0115805083      4.2370122503  
133  d_raps    0.0144756354      4.0008923066  
134  d_raps    0.0173707624      3.7890422701  
135  d_raps    0.0202658895      3.3953449573  
136  d_raps    0.0231610166      3.0425395247  
137  d_raps    0.0260561437      2.9706650654  
138  d_raps    0.0289512707      2.8039613231  
139  d_raps    0.0318463978      2.6369660372  
140  d_raps    0.0347415249      2.5439613371  
141  d_raps     0.037636652      2.4166467035  
142  d_raps     0.040531779       2.281202041  
143  d_raps    0.0434269061      2.2143272594  
144  d_raps    0.0463220332      2.1320428317  
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500  d_ai_aa        0.67284          0.381009  
501  d_ai_aa       0.686577          0.365949  
502  d_ai_aa       0.700315          0.347098  
503  d_ai_aa       0.714052          0.331737  
504  d_ai_aa       0.727789          0.315181  
505  d_ai_aa       0.741526          0.299322  
506  d_ai_aa       0.755263          0.283164  
507  d_ai_aa          0.769          0.266407  
508  d_ai_aa       0.782737          0.249252  
509  d_ai_aa       0.796474          0.233094  
510  d_ai_aa       0.810211          0.215639  
511  d_ai_aa       0.823948          0.197686  
512  d_ai_aa       0.837685           0.18093  
513  d_ai_aa       0.851422          0.163874  
514  d_ai_aa       0.865159          0.144225  
515  d_ai_aa       0.878896          0.126671  
516  d_ai_aa       0.892633          0.109715  
517  d_ai_aa        0.90637          0.095651  
518  d_ai_aa       0.920108          0.082087  
519  d_ai_aa       0.933845          0.068821  
520  d_ai_aa       0.947582          0.056453  
521  d_ai_aa       0.961319          0.047078  
522  d_ai_aa       0.975056          0.037901  
523  d_ai_aa       0.988793           0.03062  
524  d_ai_aa        1.00253          0.024835  
525  d_ai_aa       1.016267          0.018552  
526  d_ai_aa       1.030004          0.014063  
527  d_ai_aa       1.043741          0.011171  
528  d_ai_aa       1.057478          0.008378  
529  d_ai_aa       1.071215          0.006284  
530  d_ai_aa       1.084952          0.004189  
531  d_ai_aa       1.098689          0.003391  
532  d_ai_aa       1.112426          0.002194  
533  d_ai_aa       1.126163          0.001197  
534  d_ai_aa         1.1399          0.000997  
535  d_ai_aa       1.153638          0.000698  
536  d_ai_aa       1.167375          0.000399  
537  d_ai_aa       1.181112            0.0001  
538  d_ai_aa       1.194849            0.0001  
539  d_ai_aa       1.208586               0.0  
540  d_ai_aa       1.222323               0.0  
541  d_ai_aa        1.23606               0.0  
542  d_ai_aa       1.249797               0.0  
543  d_ai_aa       1.263534               0.0  
544  d_ai_aa       1.277271               0.0  
545  d_ai_aa       1.291008               0.0  
546  d_ai_aa       1.304745               0.0  
547  d_ai_bb      -0.453599               1.0  
548  d_ai_bb      -0.439861               1.0  
549  d_ai_bb      -0.426124               1.0  
550  d_ai_bb      -0.412387               1.0  
551  d_ai_bb       -0.39865               1.0  
552  d_ai_bb      -0.384913               1.0  
553  d_ai_bb      -0.371176               1.0  
554  d_ai_bb      -0.357439               1.0  
555  d_ai_bb      -0.343702               1.0  
556  d_ai_bb      -0.329965               1.0  
557  d_ai_bb      -0.316228               1.0  
558  d_ai_bb      -0.302491               1.0  
559  d_ai_bb      -0.288754               1.0  
560  d_ai_bb      -0.275017               1.0  
561  d_ai_bb       -0.26128               1.0  
562  d_ai_bb      -0.247543               1.0  
563  d_ai_bb      -0.233806               1.0  
564  d_ai_bb      -0.220069               1.0  
565  d_ai_bb      -0.206331               1.0  
566  d_ai_bb      -0.192594               1.0  
567  d_ai_bb      -0.178857               1.0  
568  d_ai_bb       -0.16512               1.0  
569  d_ai_bb      -0.151383               1.0  
570  d_ai_bb      -0.137646               1.0  
571  d_ai_bb      -0.123909               1.0  
572  d_ai_bb      -0.110172               1.0  
573  d_ai_bb      -0.096435               1.0  
574  d_ai_bb      -0.082698               1.0  
575  d_ai_bb      -0.068961               1.0  
576  d_ai_bb      -0.055224               1.0  
577  d_ai_bb      -0.041487               1.0  
578  d_ai_bb       -0.02775               1.0  
579  d_ai_bb      -0.014013               1.0  
580  d_ai_bb      -0.000276               1.0  
581  d_ai_bb       0.013462               1.0  
582  d_ai_bb       0.027199               1.0  
583  d_ai_bb       0.040936               1.0  
584  d_ai_bb       0.054673               1.0  
585  d_ai_bb        0.06841               1.0  
586  d_ai_bb       0.082147          0.999811  
587  d_ai_bb       0.095884          0.999811  
588  d_ai_bb       0.109621          0.999622  
589  d_ai_bb       0.123358          0.998865  
590  d_ai_bb       0.137095          0.998297  
591  d_ai_bb       0.150832          0.997919  
592  d_ai_bb       0.164569          0.997162  
593  d_ai_bb       0.178306          0.996784  
594  d_ai_bb            0.2          0.995081  
595  d_ai_bb        0.20578          0.993757  
596  d_ai_bb       0.219517          0.991865  
597  d_ai_bb       0.233254          0.990163  
598  d_ai_bb       0.246992          0.985812  
599  d_ai_bb       0.260729          0.981271  
600  d_ai_bb       0.274466          0.975596  
601  d_ai_bb       0.288203           0.97011  
602  d_ai_bb        0.30194          0.964245  
603  d_ai_bb       0.315677          0.957435  
604  d_ai_bb       0.329414          0.950624  
605  d_ai_bb       0.343151           0.94476  
606  d_ai_bb       0.356888          0.938517  
607  d_ai_bb       0.370625          0.930382  
608  d_ai_bb       0.384362          0.923193  
609  d_ai_bb       0.398099          0.913734  
610  d_ai_bb       0.411836          0.905789  
611  d_ai_bb       0.425573          0.894627  
612  d_ai_bb        0.43931          0.882142  
613  d_ai_bb       0.453047           0.86871  
614  d_ai_bb       0.466785          0.856035  
615  d_ai_bb       0.480522          0.841279  
616  d_ai_bb       0.494259          0.820091  
617  d_ai_bb       0.507996          0.800227  
618  d_ai_bb       0.521733          0.777715  
619  d_ai_bb        0.53547          0.755202  
620  d_ai_bb       0.549207          0.736474  
621  d_ai_bb       0.562944          0.716988  
622  d_ai_bb       0.576681          0.696746  
623  d_ai_bb       0.590418          0.677072  
624  d_ai_bb       0.604155          0.657586  
625  d_ai_bb       0.617892          0.643587  
626  d_ai_bb       0.631629          0.626182  
627  d_ai_bb       0.645366          0.607832  
628  d_ai_bb       0.659103          0.593265  
629  d_ai_bb        0.67284          0.575482  
630  d_ai_bb       0.686577          0.564132  
631  d_ai_bb       0.700315          0.547862  
632  d_ai_bb       0.714052          0.531025  
633  d_ai_bb       0.727789          0.514378  
634  d_ai_bb       0.741526          0.493757  
635  d_ai_bb       0.755263          0.473326  
636  d_ai_bb          0.769          0.450813  
637  d_ai_bb       0.782737          0.427166  
638  d_ai_bb       0.796474          0.402194  
639  d_ai_bb       0.810211          0.375142  
640  d_ai_bb       0.823948          0.346954  
641  d_ai_bb       0.837685          0.318388  
642  d_ai_bb       0.851422          0.290011  
643  d_ai_bb       0.865159          0.256148  
644  d_ai_bb       0.878896          0.225312  
645  d_ai_bb       0.892633          0.194665  
646  d_ai_bb        0.90637          0.171018  
647  d_ai_bb       0.920108          0.147181  
648  d_ai_bb       0.933845          0.123912  
649  d_ai_bb       0.947582          0.102346  
650  d_ai_bb       0.961319          0.084941  
651  d_ai_bb       0.975056           0.06905  
652  d_ai_bb       0.988793          0.056186  
653  d_ai_bb        1.00253          0.045592  
654  d_ai_bb       1.016267          0.034052  
655  d_ai_bb       1.030004          0.026107  
656  d_ai_bb       1.043741          0.020621  
657  d_ai_bb       1.057478          0.015323  
658  d_ai_bb       1.071215          0.011351  
659  d_ai_bb       1.084952          0.007378  
660  d_ai_bb       1.098689          0.006054  
661  d_ai_bb       1.112426          0.003784  
662  d_ai_bb       1.126163           0.00227  
663  d_ai_bb         1.1399          0.001892  
664  d_ai_bb       1.153638          0.001324  
665  d_ai_bb       1.167375          0.000757  
666  d_ai_bb       1.181112          0.000189  
667  d_ai_bb       1.194849          0.000189  
668  d_ai_bb       1.208586               0.0  
669  d_ai_bb       1.222323               0.0  
670  d_ai_bb        1.23606               0.0  
671  d_ai_bb       1.249797               0.0  
672  d_ai_bb       1.263534               0.0  
673  d_ai_bb       1.277271               0.0  
674  d_ai_bb       1.291008               0.0  
675  d_ai_bb       1.304745               0.0  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity      4.02b-467                                                             Y  
2  visualanalysis  0.0.1.dev43                                                           Y  
3  percentiles     "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
4  chimera         1.16                                                                  Y  
5  mapq            1.8.1                                                                 Y  
##
