data_7LI9

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7LI9       
EMDB  EMD-23364  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   "electron microscopy"
#
_pdbx_vrpt_summary.entry_id                    7LI9
_pdbx_vrpt_summary.PDB_deposition_date         2021-01-26
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2021-12-15
_pdbx_vrpt_summary.EMDB_deposition_date        2021-01-26
_pdbx_vrpt_summary.report_creation_date        2022-11-16:10:36
_pdbx_vrpt_summary.attempted_validation_steps  visualanalysis,molprobity,validation-pack,mogul,buster-report,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      "Sodium-dependent serotonin transporter"  
 2  polymer      "variable domain of 15B8 antibody Fab heavy chain"  
 3  polymer      "variable domain of 15B8 antibody Fab light chain"  
 4  branched     2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose  
 5  non-polymer  DODECANE  
 6  non-polymer  HEPTANE  
 7  non-polymer  DECANE  
 8  non-polymer  PENTANE  
 9  non-polymer  SEROTONIN  
10  non-polymer  "CHLORIDE ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A   1  
B   2  
C   3  
D   4  
E   5  
F   5  
G   6  
H   6  
I   7  
J   8  
K   7  
L   7  
M   9  
N   9  
O  10  
#
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  100.00  154571  ?     ?     
4  2  2  100.00    4023  ?     ?     
5  1  3  100.00  154315  ?     ?     
6  2  3  100.00    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  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  3  2  B  1  2  B  100.00  
 6  4  2  B  1  2  B  100.00  
 7  5  3  B  1  2  B  100.00  
 8  6  3  B  1  2  B  100.00  
 9  3  2  C  1  3  C  100.00  
10  4  2  C  1  3  C  100.00  
11  5  3  C  1  3  C  100.00  
12  6  3  C  1  3  C  100.00  
#
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  0.39  0.24  4443  6065  
2  1  2  B  B  0.43  0.25   934  1258  
3  1  3  C  C  0.45  0.26   849  1153  
4  1  4  D  D     ?     ?     ?     ?  
#
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  0.7270  0.379  
2  1  2  B  B  0.7706  0.394  
3  1  3  C  C  0.7594  0.376  
4  1  4  D  D  0.4285  0.278  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     6.15
_pdbx_vrpt_summary_geometry.num_H_reduce                   6189
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 6226
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.24
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                8476
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.40
#
_pdbx_vrpt_summary_em.exp_method                 "electron microscopy"
_pdbx_vrpt_summary_em.ordinal                    1
_pdbx_vrpt_summary_em.contour_level_primary_map  0.28
_pdbx_vrpt_summary_em.atom_inclusion_all_atoms   0.7433
_pdbx_vrpt_summary_em.atom_inclusion_backbone    0.8091
_pdbx_vrpt_summary_em.EMDB_resolution            3.9
_pdbx_vrpt_summary_em.Q_score                    0.380
#
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
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1   1  A    1  ARG  A   79  .  ?        ?     ?  
  2  1   1  A    2  GLU  A   80  .  ?        ?     ?  
  3  1   1  A    3  THR  A   81  .  ?        ?     ?  
  4  1   1  A    4  TRP  A   82  .  ?        ?     ?  
  5  1   1  A    5  GLY  A   83  .  ?        ?     ?  
  6  1   1  A    6  LYS  A   84  .  ?        1     ?  
  7  1   1  A    7  LYS  A   85  .  ?        ?     ?  
  8  1   1  A    8  VAL  A   86  .  ?        ?     ?  
  9  1   1  A    9  ASP  A   87  .  ?        ?     ?  
 10  1   1  A   10  PHE  A   88  .  ?        2     ?  
 11  1   1  A   11  LEU  A   89  .  ?        ?     ?  
 12  1   1  A   12  LEU  A   90  .  ?        ?     ?  
 13  1   1  A   13  SER  A   91  .  ?        ?     ?  
 14  1   1  A   14  VAL  A   92  .  ?        2     ?  
 15  1   1  A   15  ILE  A   93  .  ?        ?     ?  
 16  1   1  A   16  GLY  A   94  .  ?        ?     ?  
 17  1   1  A   17  TYR  A   95  .  ?        ?     ?  
 18  1   1  A   18  ALA  A   96  .  ?        ?     ?  
 19  1   1  A   19  VAL  A   97  .  ?        ?     ?  
 20  1   1  A   20  ASP  A   98  .  ?        2     ?  
 21  1   1  A   21  LEU  A   99  .  ?        ?     ?  
 22  1   1  A   22  GLY  A  100  .  ?        ?     ?  
 23  1   1  A   23  ASN  A  101  .  ?        1     ?  
 24  1   1  A   24  VAL  A  102  .  ?        ?     ?  
 25  1   1  A   25  TRP  A  103  .  ?        1     ?  
 26  1   1  A   26  ARG  A  104  .  ?        1     ?  
 27  1   1  A   27  PHE  A  105  .  ?        ?     ?  
 28  1   1  A   28  PRO  A  106  .  ?        ?     ?  
 29  1   1  A   29  TYR  A  107  .  ?        1     ?  
 30  1   1  A   30  ILE  A  108  .  ?        ?     ?  
 31  1   1  A   31  CYS  A  109  .  ?        ?     ?  
 32  1   1  A   32  TYR  A  110  .  ?        1     ?  
 33  1   1  A   33  GLN  A  111  .  ?        ?     ?  
 34  1   1  A   34  ASN  A  112  .  ?        ?     ?  
 35  1   1  A   35  GLY  A  113  .  ?        ?     ?  
 36  1   1  A   36  GLY  A  114  .  ?        ?     ?  
 37  1   1  A   37  GLY  A  115  .  ?        ?     ?  
 38  1   1  A   38  ALA  A  116  .  ?        1     ?  
 39  1   1  A   39  PHE  A  117  .  ?        ?     ?  
 40  1   1  A   40  LEU  A  118  .  ?        1     ?  
 41  1   1  A   41  LEU  A  119  .  ?        ?     ?  
 42  1   1  A   42  PRO  A  120  .  ?        ?     ?  
 43  1   1  A   43  TYR  A  121  .  ?        1     ?  
 44  1   1  A   44  THR  A  122  .  ?        1     ?  
 45  1   1  A   45  ILE  A  123  .  ?        ?     ?  
 46  1   1  A   46  MET  A  124  .  ?        ?     ?  
 47  1   1  A   47  ALA  A  125  .  ?        ?     ?  
 48  1   1  A   48  ILE  A  126  .  ?        ?     ?  
 49  1   1  A   49  PHE  A  127  .  ?        ?     ?  
 50  1   1  A   50  GLY  A  128  .  ?        ?     ?  
 51  1   1  A   51  GLY  A  129  .  ?        ?     ?  
 52  1   1  A   52  ILE  A  130  .  ?        1     ?  
 53  1   1  A   53  PRO  A  131  .  ?        1     ?  
 54  1   1  A   54  LEU  A  132  .  ?        ?     ?  
 55  1   1  A   55  PHE  A  133  .  ?        ?     ?  
 56  1   1  A   56  TYR  A  134  .  ?        ?     ?  
 57  1   1  A   57  MET  A  135  .  ?        ?     ?  
 58  1   1  A   58  GLU  A  136  .  ?        ?     ?  
 59  1   1  A   59  LEU  A  137  .  ?        1     ?  
 60  1   1  A   60  ALA  A  138  .  ?        ?     ?  
 61  1   1  A   61  LEU  A  139  .  ?        ?     ?  
 62  1   1  A   62  GLY  A  140  .  ?        ?     ?  
 63  1   1  A   63  GLN  A  141  .  ?        1     ?  
 64  1   1  A   64  TYR  A  142  .  ?        ?     ?  
 65  1   1  A   65  HIS  A  143  .  ?        ?     ?  
 66  1   1  A   66  ARG  A  144  .  ?        1     ?  
 67  1   1  A   67  ASN  A  145  .  ?        ?     ?  
 68  1   1  A   68  GLY  A  146  .  ?        1     ?  
 69  1   1  A   69  CYS  A  147  .  ?        ?     ?  
 70  1   1  A   70  ILE  A  148  .  ?        ?     ?  
 71  1   1  A   71  SER  A  149  .  ?        ?     ?  
 72  1   1  A   72  ILE  A  150  .  ?        1     ?  
 73  1   1  A   73  TRP  A  151  .  ?        ?     ?  
 74  1   1  A   74  ARG  A  152  .  ?        ?     ?  
 75  1   1  A   75  LYS  A  153  .  ?        ?     ?  
 76  1   1  A   76  ILE  A  154  .  ?        1     ?  
 77  1   1  A   77  CYS  A  155  .  ?        1     ?  
 78  1   1  A   78  PRO  A  156  .  ?        ?     ?  
 79  1   1  A   79  ILE  A  157  .  ?        1     ?  
 80  1   1  A   80  PHE  A  158  .  ?        1     ?  
 81  1   1  A   81  LYS  A  159  .  ?        ?     ?  
 82  1   1  A   82  GLY  A  160  .  ?        ?     ?  
 83  1   1  A   83  ILE  A  161  .  ?        ?     ?  
 84  1   1  A   84  GLY  A  162  .  ?        ?     ?  
 85  1   1  A   85  TYR  A  163  .  ?        ?     ?  
 86  1   1  A   86  ALA  A  164  .  ?        ?     ?  
 87  1   1  A   87  ILE  A  165  .  ?        ?     ?  
 88  1   1  A   88  CYS  A  166  .  ?        ?     ?  
 89  1   1  A   89  ILE  A  167  .  ?        ?     ?  
 90  1   1  A   90  ILE  A  168  .  ?        ?     ?  
 91  1   1  A   91  ALA  A  169  .  ?        ?     ?  
 92  1   1  A   92  PHE  A  170  .  ?        ?     ?  
 93  1   1  A   93  TYR  A  171  .  ?        ?     ?  
 94  1   1  A   94  ILE  A  172  .  ?        2     ?  
 95  1   1  A   95  ALA  A  173  .  ?        1     ?  
 96  1   1  A   96  SER  A  174  .  ?        ?     ?  
 97  1   1  A   97  TYR  A  175  .  ?        1     ?  
 98  1   1  A   98  TYR  A  176  .  ?        1     ?  
 99  1   1  A   99  ASN  A  177  .  ?        1     ?  
100  1   1  A  100  THR  A  178  .  ?        ?     ?  
101  1   1  A  101  ILE  A  179  .  ?        ?     ?  
102  1   1  A  102  MET  A  180  .  ?        ?     ?  
103  1   1  A  103  ALA  A  181  .  ?        ?     ?  
104  1   1  A  104  TRP  A  182  .  ?        ?     ?  
105  1   1  A  105  ALA  A  183  .  ?        ?     ?  
106  1   1  A  106  LEU  A  184  .  ?        ?     ?  
107  1   1  A  107  TYR  A  185  .  ?        ?     ?  
108  1   1  A  108  TYR  A  186  .  ?        ?     ?  
109  1   1  A  109  LEU  A  187  .  ?        1     ?  
110  1   1  A  110  ILE  A  188  .  ?        ?     ?  
111  1   1  A  111  SER  A  189  .  ?        ?     ?  
112  1   1  A  112  SER  A  190  .  ?        3     ?  
113  1   1  A  113  PHE  A  191  .  ?        ?     ?  
114  1   1  A  114  THR  A  192  .  ?        ?     ?  
115  1   1  A  115  ASP  A  193  .  ?        ?     ?  
116  1   1  A  116  GLN  A  194  .  ?        ?     ?  
117  1   1  A  117  LEU  A  195  .  ?        ?     ?  
118  1   1  A  118  PRO  A  196  .  ?        ?     ?  
119  1   1  A  119  TRP  A  197  .  ?        1     ?  
120  1   1  A  120  THR  A  198  .  ?        ?     ?  
121  1   1  A  121  SER  A  199  .  ?        1     ?  
122  1   1  A  122  CYS  A  200  .  ?        ?     ?  
123  1   1  A  123  LYS  A  201  .  ?        3     ?  
124  1   1  A  124  ASN  A  202  .  ?        ?     ?  
125  1   1  A  125  SER  A  203  .  ?        ?     ?  
126  1   1  A  126  TRP  A  204  .  ?        ?     ?  
127  1   1  A  127  ASN  A  205  .  ?        2     ?  
128  1   1  A  128  THR  A  206  .  ?        ?     ?  
129  1   1  A  129  GLY  A  207  .  ?        ?     ?  
130  1   1  A  130  ASN  A  208  .  ?        ?     ?  
131  1   1  A  131  CYS  A  209  .  ?        1     ?  
132  1   1  A  132  THR  A  210  .  ?        1     ?  
133  1   1  A  133  ASN  A  211  .  ?        ?     ?  
134  1   1  A  134  TYR  A  212  .  ?        1     ?  
135  1   1  A  135  PHE  A  213  .  ?        ?     ?  
136  1   1  A  136  SER  A  214  .  ?        2     ?  
137  1   1  A  137  GLU  A  215  .  ?        1     ?  
138  1   1  A  138  ASP  A  216  .  ?        ?     ?  
139  1   1  A  139  ASN  A  217  .  ?        ?     ?  
140  1   1  A  140  ILE  A  218  .  ?        ?     ?  
141  1   1  A  141  THR  A  219  .  ?        ?     ?  
142  1   1  A  142  TRP  A  220  .  ?        ?     ?  
143  1   1  A  143  THR  A  221  .  ?        ?     ?  
144  1   1  A  144  LEU  A  222  .  ?        ?     ?  
145  1   1  A  145  HIS  A  223  .  ?        ?     ?  
146  1   1  A  146  SER  A  224  .  ?        ?     ?  
147  1   1  A  147  THR  A  225  .  ?        ?     ?  
148  1   1  A  148  SER  A  226  .  ?        1     ?  
149  1   1  A  149  PRO  A  227  .  ?        ?     ?  
150  1   1  A  150  ALA  A  228  .  ?        ?     ?  
151  1   1  A  151  GLU  A  229  .  ?        1     ?  
152  1   1  A  152  GLU  A  230  .  ?        ?     ?  
153  1   1  A  153  PHE  A  231  .  ?        ?     ?  
154  1   1  A  154  TYR  A  232  .  ?        ?     ?  
155  1   1  A  155  THR  A  233  .  ?        ?     ?  
156  1   1  A  156  ARG  A  234  .  ?        2     ?  
157  1   1  A  157  HIS  A  235  .  ?        ?     ?  
158  1   1  A  158  VAL  A  236  .  ?        1     ?  
159  1   1  A  159  LEU  A  237  .  ?        1     ?  
160  1   1  A  160  GLN  A  238  .  ?        ?     ?  
161  1   1  A  161  ILE  A  239  .  ?        ?     ?  
162  1   1  A  162  HIS  A  240  .  ?        ?     ?  
163  1   1  A  163  ARG  A  241  .  ?        ?     ?  
164  1   1  A  164  SER  A  242  .  ?        ?     ?  
165  1   1  A  165  LYS  A  243  .  ?        ?     ?  
166  1   1  A  166  GLY  A  244  .  ?        ?     ?  
167  1   1  A  167  LEU  A  245  .  ?        ?     ?  
168  1   1  A  168  GLN  A  246  .  ?        ?     ?  
169  1   1  A  169  ASP  A  247  .  ?        ?     ?  
170  1   1  A  170  LEU  A  248  .  ?        2     ?  
171  1   1  A  171  GLY  A  249  .  ?        ?     ?  
172  1   1  A  172  GLY  A  250  .  ?        ?     ?  
173  1   1  A  173  ILE  A  251  .  ?        ?     ?  
174  1   1  A  174  SER  A  252  .  ?        ?     ?  
175  1   1  A  175  TRP  A  253  .  ?        ?     ?  
176  1   1  A  176  GLN  A  254  .  ?        ?     ?  
177  1   1  A  177  LEU  A  255  .  ?        ?     ?  
178  1   1  A  178  ALA  A  256  .  ?        ?     ?  
179  1   1  A  179  LEU  A  257  .  ?        ?     ?  
180  1   1  A  180  CYS  A  258  .  ?        ?     ?  
181  1   1  A  181  ILE  A  259  .  ?        1     ?  
182  1   1  A  182  MET  A  260  .  ?        ?     ?  
183  1   1  A  183  LEU  A  261  .  ?        ?     ?  
184  1   1  A  184  ILE  A  262  .  ?        ?     ?  
185  1   1  A  185  PHE  A  263  .  ?        ?     ?  
186  1   1  A  186  THR  A  264  .  ?        ?     ?  
187  1   1  A  187  VAL  A  265  .  ?        ?     ?  
188  1   1  A  188  ILE  A  266  .  ?        ?     ?  
189  1   1  A  189  TYR  A  267  .  ?        ?     ?  
190  1   1  A  190  PHE  A  268  .  ?        ?     ?  
191  1   1  A  191  SER  A  269  .  ?        ?     ?  
192  1   1  A  192  ILE  A  270  .  ?        ?     ?  
193  1   1  A  193  TRP  A  271  .  ?        1     ?  
194  1   1  A  194  LYS  A  272  .  ?        2     ?  
195  1   1  A  195  GLY  A  273  .  ?        ?     ?  
196  1   1  A  196  VAL  A  274  .  ?        ?     ?  
197  1   1  A  197  LYS  A  275  .  ?        ?     ?  
198  1   1  A  198  THR  A  276  .  ?        ?     ?  
199  1   1  A  199  SER  A  277  .  ?        ?     ?  
200  1   1  A  200  GLY  A  278  .  ?        ?     ?  
201  1   1  A  201  LYS  A  279  .  ?        ?     ?  
202  1   1  A  202  VAL  A  280  .  ?        ?     ?  
203  1   1  A  203  VAL  A  281  .  ?        ?     ?  
204  1   1  A  204  TRP  A  282  .  ?        ?     ?  
205  1   1  A  205  VAL  A  283  .  ?        ?     ?  
206  1   1  A  206  THR  A  284  .  ?        1     ?  
207  1   1  A  207  ALA  A  285  .  ?        ?     ?  
208  1   1  A  208  THR  A  286  .  ?        ?     ?  
209  1   1  A  209  PHE  A  287  .  ?        2     ?  
210  1   1  A  210  PRO  A  288  .  ?        1     ?  
211  1   1  A  211  TYR  A  289  .  ?        ?     ?  
212  1   1  A  212  ILE  A  290  .  ?        ?     ?  
213  1   1  A  213  ILE  A  291  .  ?        1     ?  
214  1   1  A  214  LEU  A  292  .  ?        ?     ?  
215  1   1  A  215  SER  A  293  .  ?        ?     ?  
216  1   1  A  216  VAL  A  294  .  ?        1     ?  
217  1   1  A  217  LEU  A  295  .  ?        ?     ?  
218  1   1  A  218  LEU  A  296  .  ?        ?     ?  
219  1   1  A  219  VAL  A  297  .  ?        ?     ?  
220  1   1  A  220  ARG  A  298  .  ?        ?     ?  
221  1   1  A  221  GLY  A  299  .  ?        ?     ?  
222  1   1  A  222  ALA  A  300  .  ?        ?     ?  
223  1   1  A  223  THR  A  301  .  ?        ?     ?  
224  1   1  A  224  LEU  A  302  .  ?        ?     ?  
225  1   1  A  225  PRO  A  303  .  ?        ?     ?  
226  1   1  A  226  GLY  A  304  .  ?        ?     ?  
227  1   1  A  227  ALA  A  305  .  ?        ?     ?  
228  1   1  A  228  TRP  A  306  .  ?        ?     ?  
229  1   1  A  229  ARG  A  307  .  ?        ?     ?  
230  1   1  A  230  GLY  A  308  .  ?        ?     ?  
231  1   1  A  231  VAL  A  309  .  ?        ?     ?  
232  1   1  A  232  LEU  A  310  .  ?        ?     ?  
233  1   1  A  233  PHE  A  311  .  ?        ?     ?  
234  1   1  A  234  TYR  A  312  .  ?        ?     ?  
235  1   1  A  235  LEU  A  313  .  ?        ?     ?  
236  1   1  A  236  LYS  A  314  .  ?        ?     ?  
237  1   1  A  237  PRO  A  315  .  ?        ?     ?  
238  1   1  A  238  ASN  A  316  .  ?        2     ?  
239  1   1  A  239  TRP  A  317  .  ?        ?     ?  
240  1   1  A  240  GLN  A  318  .  ?        3     ?  
241  1   1  A  241  LYS  A  319  .  ?        ?     ?  
242  1   1  A  242  LEU  A  320  .  ?        ?     ?  
243  1   1  A  243  LEU  A  321  .  ?        ?     ?  
244  1   1  A  244  GLU  A  322  .  ?        ?     ?  
245  1   1  A  245  THR  A  323  .  ?        ?     ?  
246  1   1  A  246  GLY  A  324  .  ?        ?     ?  
247  1   1  A  247  VAL  A  325  .  ?        ?     ?  
248  1   1  A  248  TRP  A  326  .  ?        ?     ?  
249  1   1  A  249  ILE  A  327  .  ?        ?     ?  
250  1   1  A  250  ASP  A  328  .  ?        ?     ?  
251  1   1  A  251  ALA  A  329  .  ?        ?     ?  
252  1   1  A  252  ALA  A  330  .  ?        ?     ?  
253  1   1  A  253  ALA  A  331  .  ?        ?     ?  
254  1   1  A  254  GLN  A  332  .  ?        ?     ?  
255  1   1  A  255  ILE  A  333  .  ?        ?     ?  
256  1   1  A  256  PHE  A  334  .  ?        ?     ?  
257  1   1  A  257  PHE  A  335  .  ?        ?     ?  
258  1   1  A  258  SER  A  336  .  ?        ?     ?  
259  1   1  A  259  LEU  A  337  .  ?        ?     ?  
260  1   1  A  260  GLY  A  338  .  ?        1     ?  
261  1   1  A  261  PRO  A  339  .  ?        1     ?  
262  1   1  A  262  GLY  A  340  .  ?        ?     ?  
263  1   1  A  263  PHE  A  341  .  ?        ?     ?  
264  1   1  A  264  GLY  A  342  .  ?        ?     ?  
265  1   1  A  265  VAL  A  343  .  ?        ?     ?  
266  1   1  A  266  LEU  A  344  .  ?        ?     ?  
267  1   1  A  267  LEU  A  345  .  ?        ?     ?  
268  1   1  A  268  ALA  A  346  .  ?        ?     ?  
269  1   1  A  269  PHE  A  347  .  ?        ?     ?  
270  1   1  A  270  ALA  A  348  .  ?        ?     ?  
271  1   1  A  271  SER  A  349  .  ?        ?     ?  
272  1   1  A  272  TYR  A  350  .  ?        ?     ?  
273  1   1  A  273  ASN  A  351  .  ?        ?     ?  
274  1   1  A  274  LYS  A  352  .  ?        1     ?  
275  1   1  A  275  PHE  A  353  .  ?        1     ?  
276  1   1  A  276  ASN  A  354  .  ?        ?     ?  
277  1   1  A  277  ASN  A  355  .  ?        ?     ?  
278  1   1  A  278  ASN  A  356  .  ?        ?     ?  
279  1   1  A  279  CYS  A  357  .  ?        ?     ?  
280  1   1  A  280  TYR  A  358  .  ?        1     ?  
281  1   1  A  281  GLN  A  359  .  ?        ?     ?  
282  1   1  A  282  ASP  A  360  .  ?        ?     ?  
283  1   1  A  283  ALA  A  361  .  ?        1     ?  
284  1   1  A  284  LEU  A  362  .  ?        ?     ?  
285  1   1  A  285  VAL  A  363  .  ?        1     ?  
286  1   1  A  286  THR  A  364  .  ?        ?     ?  
287  1   1  A  287  SER  A  365  .  ?        ?     ?  
288  1   1  A  288  VAL  A  366  .  ?        ?     ?  
289  1   1  A  289  VAL  A  367  .  ?        ?     ?  
290  1   1  A  290  ASN  A  368  .  ?        ?     ?  
291  1   1  A  291  CYS  A  369  .  ?        ?     ?  
292  1   1  A  292  MET  A  370  .  ?        ?     ?  
293  1   1  A  293  THR  A  371  .  ?        ?     ?  
294  1   1  A  294  SER  A  372  .  ?        ?     ?  
295  1   1  A  295  PHE  A  373  .  ?        ?     ?  
296  1   1  A  296  VAL  A  374  .  ?        ?     ?  
297  1   1  A  297  SER  A  375  .  ?        ?     ?  
298  1   1  A  298  GLY  A  376  .  ?        ?     ?  
299  1   1  A  299  PHE  A  377  .  ?        ?     ?  
300  1   1  A  300  VAL  A  378  .  ?        ?     ?  
301  1   1  A  301  ILE  A  379  .  ?        ?     ?  
302  1   1  A  302  PHE  A  380  .  ?        ?     ?  
303  1   1  A  303  THR  A  381  .  ?        ?     ?  
304  1   1  A  304  VAL  A  382  .  ?        ?     ?  
305  1   1  A  305  LEU  A  383  .  ?        ?     ?  
306  1   1  A  306  GLY  A  384  .  ?        ?     ?  
307  1   1  A  307  TYR  A  385  .  ?        1     ?  
308  1   1  A  308  MET  A  386  .  ?        ?     ?  
309  1   1  A  309  ALA  A  387  .  ?        ?     ?  
310  1   1  A  310  GLU  A  388  .  ?        ?     ?  
311  1   1  A  311  MET  A  389  .  ?        ?     ?  
312  1   1  A  312  ARG  A  390  .  ?        1     ?  
313  1   1  A  313  ASN  A  391  .  ?        ?     ?  
314  1   1  A  314  GLU  A  392  .  ?        ?     ?  
315  1   1  A  315  ASP  A  393  .  ?        ?     ?  
316  1   1  A  316  VAL  A  394  .  ?        ?     ?  
317  1   1  A  317  SER  A  395  .  ?        1     ?  
318  1   1  A  318  GLU  A  396  .  ?        ?     ?  
319  1   1  A  319  VAL  A  397  .  ?        ?     ?  
320  1   1  A  320  ALA  A  398  .  ?        ?     ?  
321  1   1  A  321  LYS  A  399  .  ?        ?     ?  
322  1   1  A  322  ASP  A  400  .  ?        ?     ?  
323  1   1  A  323  ALA  A  401  .  ?        ?     ?  
324  1   1  A  324  GLY  A  402  .  ?        ?     ?  
325  1   1  A  325  PRO  A  403  .  ?        ?     ?  
326  1   1  A  326  SER  A  404  .  ?        ?     ?  
327  1   1  A  327  LEU  A  405  .  ?        ?     ?  
328  1   1  A  328  LEU  A  406  .  ?        1     ?  
329  1   1  A  329  PHE  A  407  .  ?        ?     ?  
330  1   1  A  330  ILE  A  408  .  ?        1     ?  
331  1   1  A  331  THR  A  409  .  ?        ?     ?  
332  1   1  A  332  TYR  A  410  .  ?        ?     ?  
333  1   1  A  333  ALA  A  411  .  ?        ?     ?  
334  1   1  A  334  GLU  A  412  .  ?        ?     ?  
335  1   1  A  335  ALA  A  413  .  ?        ?     ?  
336  1   1  A  336  ILE  A  414  .  ?        ?     ?  
337  1   1  A  337  ALA  A  415  .  ?        ?     ?  
338  1   1  A  338  ASN  A  416  .  ?        1     ?  
339  1   1  A  339  MET  A  417  .  ?        ?     ?  
340  1   1  A  340  PRO  A  418  .  ?        ?     ?  
341  1   1  A  341  ALA  A  419  .  ?        ?     ?  
342  1   1  A  342  SER  A  420  .  ?        ?     ?  
343  1   1  A  343  THR  A  421  .  ?        ?     ?  
344  1   1  A  344  PHE  A  422  .  ?        ?     ?  
345  1   1  A  345  PHE  A  423  .  ?        ?     ?  
346  1   1  A  346  ALA  A  424  .  ?        ?     ?  
347  1   1  A  347  ILE  A  425  .  ?        ?     ?  
348  1   1  A  348  ILE  A  426  .  ?        ?     ?  
349  1   1  A  349  PHE  A  427  .  ?        1     ?  
350  1   1  A  350  PHE  A  428  .  ?        1     ?  
351  1   1  A  351  LEU  A  429  .  ?        ?     ?  
352  1   1  A  352  MET  A  430  .  ?        1     ?  
353  1   1  A  353  LEU  A  431  .  ?        ?     ?  
354  1   1  A  354  ILE  A  432  .  ?        ?     ?  
355  1   1  A  355  THR  A  433  .  ?        ?     ?  
356  1   1  A  356  LEU  A  434  .  ?        ?     ?  
357  1   1  A  357  GLY  A  435  .  ?        ?     ?  
358  1   1  A  358  LEU  A  436  .  ?        ?     ?  
359  1   1  A  359  ASP  A  437  .  ?        ?     ?  
360  1   1  A  360  SER  A  438  .  ?        1     ?  
361  1   1  A  361  THR  A  439  .  ?        ?     ?  
362  1   1  A  362  PHE  A  440  .  ?        ?     ?  
363  1   1  A  363  ALA  A  441  .  ?        ?     ?  
364  1   1  A  364  GLY  A  442  .  ?        ?     ?  
365  1   1  A  365  LEU  A  443  .  ?        ?     ?  
366  1   1  A  366  GLU  A  444  .  ?        ?     ?  
367  1   1  A  367  GLY  A  445  .  ?        ?     ?  
368  1   1  A  368  VAL  A  446  .  ?        ?     ?  
369  1   1  A  369  ILE  A  447  .  ?        1     ?  
370  1   1  A  370  THR  A  448  .  ?        ?     ?  
371  1   1  A  371  ALA  A  449  .  ?        ?     ?  
372  1   1  A  372  VAL  A  450  .  ?        ?     ?  
373  1   1  A  373  LEU  A  451  .  ?        ?     ?  
374  1   1  A  374  ASP  A  452  .  ?        ?     ?  
375  1   1  A  375  GLU  A  453  .  ?        ?     ?  
376  1   1  A  376  PHE  A  454  .  ?        ?     ?  
377  1   1  A  377  PRO  A  455  .  ?        ?     ?  
378  1   1  A  378  HIS  A  456  .  ?        ?     ?  
379  1   1  A  379  VAL  A  457  .  ?        ?     ?  
380  1   1  A  380  TRP  A  458  .  ?        ?     ?  
381  1   1  A  381  ALA  A  459  .  ?        ?     ?  
382  1   1  A  382  LYS  A  460  .  ?        ?     ?  
383  1   1  A  383  ARG  A  461  .  ?        ?     ?  
384  1   1  A  384  ARG  A  462  .  ?        ?     ?  
385  1   1  A  385  GLU  A  463  .  ?        1     ?  
386  1   1  A  386  ARG  A  464  .  ?        ?     ?  
387  1   1  A  387  PHE  A  465  .  ?        ?     ?  
388  1   1  A  388  VAL  A  466  .  ?        ?     ?  
389  1   1  A  389  LEU  A  467  .  ?        ?     ?  
390  1   1  A  390  ALA  A  468  .  ?        ?     ?  
391  1   1  A  391  VAL  A  469  .  ?        1     ?  
392  1   1  A  392  VAL  A  470  .  ?        ?     ?  
393  1   1  A  393  ILE  A  471  .  ?        ?     ?  
394  1   1  A  394  THR  A  472  .  ?        ?     ?  
395  1   1  A  395  CYS  A  473  .  ?        ?     ?  
396  1   1  A  396  PHE  A  474  .  ?        ?     ?  
397  1   1  A  397  PHE  A  475  .  ?        ?     ?  
398  1   1  A  398  GLY  A  476  .  ?        ?     ?  
399  1   1  A  399  SER  A  477  .  ?        ?     ?  
400  1   1  A  400  LEU  A  478  .  ?        ?     ?  
401  1   1  A  401  VAL  A  479  .  ?        ?     ?  
402  1   1  A  402  THR  A  480  .  ?        ?     ?  
403  1   1  A  403  LEU  A  481  .  ?        1     ?  
404  1   1  A  404  THR  A  482  .  ?        1     ?  
405  1   1  A  405  PHE  A  483  .  ?        ?     ?  
406  1   1  A  406  GLY  A  484  .  ?        ?     ?  
407  1   1  A  407  GLY  A  485  .  ?        ?     ?  
408  1   1  A  408  ALA  A  486  .  ?        ?     ?  
409  1   1  A  409  TYR  A  487  .  ?        ?     ?  
410  1   1  A  410  VAL  A  488  .  ?        ?     ?  
411  1   1  A  411  VAL  A  489  .  ?        ?     ?  
412  1   1  A  412  LYS  A  490  .  ?        ?     ?  
413  1   1  A  413  LEU  A  491  .  ?        ?     ?  
414  1   1  A  414  LEU  A  492  .  ?        1     ?  
415  1   1  A  415  GLU  A  493  .  ?        ?     ?  
416  1   1  A  416  GLU  A  494  .  ?        1     ?  
417  1   1  A  417  TYR  A  495  .  ?        ?     ?  
418  1   1  A  418  ALA  A  496  .  ?        ?     ?  
419  1   1  A  419  THR  A  497  .  ?        ?     ?  
420  1   1  A  420  GLY  A  498  .  ?        ?     ?  
421  1   1  A  421  PRO  A  499  .  ?        ?     ?  
422  1   1  A  422  ALA  A  500  .  ?        ?     ?  
423  1   1  A  423  VAL  A  501  .  ?        ?     ?  
424  1   1  A  424  LEU  A  502  .  ?        ?     ?  
425  1   1  A  425  THR  A  503  .  ?        ?     ?  
426  1   1  A  426  VAL  A  504  .  ?        ?     ?  
427  1   1  A  427  ALA  A  505  .  ?        ?     ?  
428  1   1  A  428  LEU  A  506  .  ?        ?     ?  
429  1   1  A  429  ILE  A  507  .  ?        ?     ?  
430  1   1  A  430  GLU  A  508  .  ?        ?     ?  
431  1   1  A  431  ALA  A  509  .  ?        ?     ?  
432  1   1  A  432  VAL  A  510  .  ?        ?     ?  
433  1   1  A  433  ALA  A  511  .  ?        ?     ?  
434  1   1  A  434  VAL  A  512  .  ?        ?     ?  
435  1   1  A  435  SER  A  513  .  ?        ?     ?  
436  1   1  A  436  TRP  A  514  .  ?        ?     ?  
437  1   1  A  437  PHE  A  515  .  ?        ?     ?  
438  1   1  A  438  TYR  A  516  .  ?        ?     ?  
439  1   1  A  439  GLY  A  517  .  ?        ?     ?  
440  1   1  A  440  ILE  A  518  .  ?        ?     ?  
441  1   1  A  441  THR  A  519  .  ?        ?     ?  
442  1   1  A  442  GLN  A  520  .  ?        ?     ?  
443  1   1  A  443  PHE  A  521  .  ?        ?     ?  
444  1   1  A  444  CYS  A  522  .  ?        ?     ?  
445  1   1  A  445  ARG  A  523  .  ?        ?     ?  
446  1   1  A  446  ASP  A  524  .  ?        ?     ?  
447  1   1  A  447  VAL  A  525  .  ?        ?     ?  
448  1   1  A  448  LYS  A  526  .  ?        ?     ?  
449  1   1  A  449  GLU  A  527  .  ?        ?     ?  
450  1   1  A  450  MET  A  528  .  ?        ?     ?  
451  1   1  A  451  LEU  A  529  .  ?        ?     ?  
452  1   1  A  452  GLY  A  530  .  ?        ?     ?  
453  1   1  A  453  PHE  A  531  .  ?        ?     ?  
454  1   1  A  454  SER  A  532  .  ?        ?     ?  
455  1   1  A  455  PRO  A  533  .  ?        ?     ?  
456  1   1  A  456  GLY  A  534  .  ?        ?     ?  
457  1   1  A  457  TRP  A  535  .  ?        ?     ?  
458  1   1  A  458  PHE  A  536  .  ?        ?     ?  
459  1   1  A  459  TRP  A  537  .  ?        1     ?  
460  1   1  A  460  ARG  A  538  .  ?        ?     ?  
461  1   1  A  461  ILE  A  539  .  ?        ?     ?  
462  1   1  A  462  CYS  A  540  .  ?        1     ?  
463  1   1  A  463  TRP  A  541  .  ?        ?     ?  
464  1   1  A  464  VAL  A  542  .  ?        ?     ?  
465  1   1  A  465  ALA  A  543  .  ?        ?     ?  
466  1   1  A  466  ILE  A  544  .  ?        1     ?  
467  1   1  A  467  SER  A  545  .  ?        ?     ?  
468  1   1  A  468  PRO  A  546  .  ?        ?     ?  
469  1   1  A  469  LEU  A  547  .  ?        ?     ?  
470  1   1  A  470  PHE  A  548  .  ?        ?     ?  
471  1   1  A  471  LEU  A  549  .  ?        ?     ?  
472  1   1  A  472  LEU  A  550  .  ?        ?     ?  
473  1   1  A  473  PHE  A  551  .  ?        ?     ?  
474  1   1  A  474  ILE  A  552  .  ?        ?     ?  
475  1   1  A  475  ILE  A  553  .  ?        ?     ?  
476  1   1  A  476  CYS  A  554  .  ?        ?     ?  
477  1   1  A  477  SER  A  555  .  ?        ?     ?  
478  1   1  A  478  PHE  A  556  .  ?        ?     ?  
479  1   1  A  479  LEU  A  557  .  ?        ?     ?  
480  1   1  A  480  MET  A  558  .  ?        ?     ?  
481  1   1  A  481  SER  A  559  .  ?        ?     ?  
482  1   1  A  482  PRO  A  560  .  ?        1     ?  
483  1   1  A  483  PRO  A  561  .  ?        2     ?  
484  1   1  A  484  GLN  A  562  .  ?        ?     ?  
485  1   1  A  485  LEU  A  563  .  ?        ?     ?  
486  1   1  A  486  ARG  A  564  .  ?        1     ?  
487  1   1  A  487  LEU  A  565  .  ?        ?     ?  
488  1   1  A  488  PHE  A  566  .  ?        ?     ?  
489  1   1  A  489  GLN  A  567  .  ?        ?     ?  
490  1   1  A  490  TYR  A  568  .  ?        ?     ?  
491  1   1  A  491  ASN  A  569  .  ?        1     ?  
492  1   1  A  492  TYR  A  570  .  ?        ?     ?  
493  1   1  A  493  PRO  A  571  .  ?        ?     ?  
494  1   1  A  494  TYR  A  572  .  ?        ?     ?  
495  1   1  A  495  TRP  A  573  .  ?        ?     ?  
496  1   1  A  496  SER  A  574  .  ?        ?     ?  
497  1   1  A  497  ILE  A  575  .  ?        ?     ?  
498  1   1  A  498  ILE  A  576  .  ?        ?     ?  
499  1   1  A  499  LEU  A  577  .  ?        ?     ?  
500  1   1  A  500  GLY  A  578  .  ?        ?     ?  
501  1   1  A  501  TYR  A  579  .  ?        ?     ?  
502  1   1  A  502  CYS  A  580  .  ?        ?     ?  
503  1   1  A  503  ILE  A  581  .  ?        ?     ?  
504  1   1  A  504  GLY  A  582  .  ?        ?     ?  
505  1   1  A  505  THR  A  583  .  ?        ?     ?  
506  1   1  A  506  SER  A  584  .  ?        ?     ?  
507  1   1  A  507  SER  A  585  .  ?        ?     ?  
508  1   1  A  508  PHE  A  586  .  ?        ?     ?  
509  1   1  A  509  ILE  A  587  .  ?        ?     ?  
510  1   1  A  510  CYS  A  588  .  ?        ?     ?  
511  1   1  A  511  ILE  A  589  .  ?        1     ?  
512  1   1  A  512  PRO  A  590  .  ?        1     ?  
513  1   1  A  513  THR  A  591  .  ?        ?     ?  
514  1   1  A  514  TYR  A  592  .  ?        ?     ?  
515  1   1  A  515  ILE  A  593  .  ?        1     ?  
516  1   1  A  516  ALA  A  594  .  ?        ?     ?  
517  1   1  A  517  TYR  A  595  .  ?        ?     ?  
518  1   1  A  518  ARG  A  596  .  ?        ?     ?  
519  1   1  A  519  LEU  A  597  .  ?        ?     ?  
520  1   1  A  520  ILE  A  598  .  ?        ?     ?  
521  1   1  A  521  ILE  A  599  .  ?        1     ?  
522  1   1  A  522  THR  A  600  .  ?        1     ?  
523  1   1  A  523  PRO  A  601  .  ?        ?     ?  
524  1   1  A  524  GLY  A  602  .  ?        ?     ?  
525  1   1  A  525  THR  A  603  .  ?        ?     ?  
526  1   1  A  526  PHE  A  604  .  ?        ?     ?  
527  1   1  A  527  LYS  A  605  .  ?        ?     ?  
528  1   1  A  528  GLU  A  606  .  ?        1     ?  
529  1   1  A  529  ARG  A  607  .  ?        ?     ?  
530  1   1  A  530  ILE  A  608  .  ?        ?     ?  
531  1   1  A  531  ILE  A  609  .  ?        1     ?  
532  1   1  A  532  LYS  A  610  .  ?        ?     ?  
533  1   1  A  533  SER  A  611  .  ?        1     ?  
534  1   1  A  534  ILE  A  612  .  ?        ?     ?  
535  1   1  A  535  THR  A  613  .  ?        ?     ?  
536  1   1  A  536  PRO  A  614  .  ?        ?     ?  
537  1   1  A  537  GLU  A  615  .  ?        ?     ?  
538  1   1  A  538  THR  A  616  .  ?        ?     ?  
539  1   1  A  539  PRO  A  617  .  ?        ?     ?  
540  1   2  B    1  GLN  B   20  .  ?        ?     ?  
541  1   2  B    2  VAL  B   21  .  ?        ?     ?  
542  1   2  B    3  GLN  B   22  .  ?        ?     ?  
543  1   2  B    4  LEU  B   23  .  ?        ?     ?  
544  1   2  B    5  GLN  B   24  .  ?        ?     ?  
545  1   2  B    6  GLN  B   25  .  ?        ?     ?  
546  1   2  B    7  SER  B   26  .  ?        ?     ?  
547  1   2  B    8  GLY  B   27  .  ?        ?     ?  
548  1   2  B    9  PRO  B   28  .  ?        ?     ?  
549  1   2  B   10  GLU  B   29  .  ?        ?     ?  
550  1   2  B   11  LEU  B   30  .  ?        ?     ?  
551  1   2  B   12  VAL  B   31  .  ?        ?     ?  
552  1   2  B   13  LYS  B   32  .  ?        ?     ?  
553  1   2  B   14  LEU  B   33  .  ?        ?     ?  
554  1   2  B   15  GLY  B   34  .  ?        ?     ?  
555  1   2  B   16  ALA  B   35  .  ?        ?     ?  
556  1   2  B   17  SER  B   36  .  ?        ?     ?  
557  1   2  B   18  VAL  B   37  .  ?        ?     ?  
558  1   2  B   19  ARG  B   38  .  ?        ?     ?  
559  1   2  B   20  ILE  B   39  .  ?        ?     ?  
560  1   2  B   21  SER  B   40  .  ?        ?     ?  
561  1   2  B   22  CYS  B   41  .  ?        ?     ?  
562  1   2  B   23  LYS  B   42  .  ?        ?     ?  
563  1   2  B   24  ALA  B   43  .  ?        ?     ?  
564  1   2  B   25  SER  B   44  .  ?        ?     ?  
565  1   2  B   26  GLY  B   45  .  ?        ?     ?  
566  1   2  B   27  TYR  B   46  .  ?        ?     ?  
567  1   2  B   28  ARG  B   47  .  ?        ?     ?  
568  1   2  B   29  PHE  B   48  .  ?        ?     ?  
569  1   2  B   30  SER  B   49  .  ?        3     ?  
570  1   2  B   31  TYR  B   50  .  ?        ?     ?  
571  1   2  B   32  SER  B   51  .  ?        ?     ?  
572  1   2  B   33  TRP  B   52  .  ?        ?     ?  
573  1   2  B   34  MET  B   53  .  ?        1     ?  
574  1   2  B   35  ASN  B   54  .  ?        1     ?  
575  1   2  B   36  TRP  B   55  .  ?        ?     ?  
576  1   2  B   37  VAL  B   56  .  ?        ?     ?  
577  1   2  B   38  LYS  B   57  .  ?        ?     ?  
578  1   2  B   39  GLN  B   58  .  ?        ?     ?  
579  1   2  B   40  ARG  B   59  .  ?        1     ?  
580  1   2  B   41  PRO  B   60  .  ?        ?     ?  
581  1   2  B   42  GLY  B   61  .  ?        ?     ?  
582  1   2  B   43  LYS  B   62  .  ?        ?     ?  
583  1   2  B   44  GLY  B   63  .  ?        ?     ?  
584  1   2  B   45  LEU  B   64  .  ?        ?     ?  
585  1   2  B   46  GLU  B   65  .  ?        ?     ?  
586  1   2  B   47  TRP  B   66  .  ?        ?     ?  
587  1   2  B   48  ILE  B   67  .  ?        ?     ?  
588  1   2  B   49  GLY  B   68  .  ?        ?     ?  
589  1   2  B   50  ARG  B   69  .  ?        ?     ?  
590  1   2  B   51  ILE  B   70  .  ?        ?     ?  
591  1   2  B   52  TYR  B   71  .  ?        ?     ?  
592  1   2  B   53  PRO  B   72  .  ?        1     ?  
593  1   2  B   54  GLY  B   73  .  ?        ?     ?  
594  1   2  B   55  ASP  B   74  .  ?        ?     ?  
595  1   2  B   56  GLY  B   75  .  ?        ?     ?  
596  1   2  B   57  ASP  B   76  .  ?        ?     ?  
597  1   2  B   58  THR  B   77  .  ?        ?     ?  
598  1   2  B   59  LYS  B   78  .  ?        ?     ?  
599  1   2  B   60  TYR  B   79  .  ?        ?     ?  
600  1   2  B   61  SER  B   80  .  ?        ?     ?  
601  1   2  B   62  GLY  B   81  .  ?        ?     ?  
602  1   2  B   63  LYS  B   82  .  ?        ?     ?  
603  1   2  B   64  PHE  B   83  .  ?        ?     ?  
604  1   2  B   65  LYS  B   84  .  ?        ?     ?  
605  1   2  B   66  GLY  B   85  .  ?        ?     ?  
606  1   2  B   67  LYS  B   86  .  ?        1     ?  
607  1   2  B   68  ALA  B   87  .  ?        ?     ?  
608  1   2  B   69  THR  B   88  .  ?        ?     ?  
609  1   2  B   70  LEU  B   89  .  ?        ?     ?  
610  1   2  B   71  THR  B   90  .  ?        ?     ?  
611  1   2  B   72  ALA  B   91  .  ?        ?     ?  
612  1   2  B   73  ASP  B   92  .  ?        ?     ?  
613  1   2  B   74  LYS  B   93  .  ?        ?     ?  
614  1   2  B   75  SER  B   94  .  ?        ?     ?  
615  1   2  B   76  SER  B   95  .  ?        ?     ?  
616  1   2  B   77  SER  B   96  .  ?        ?     ?  
617  1   2  B   78  THR  B   97  .  ?        ?     ?  
618  1   2  B   79  VAL  B   98  .  ?        1     ?  
619  1   2  B   80  TYR  B   99  .  ?        ?     ?  
620  1   2  B   81  MET  B  100  .  ?        ?     ?  
621  1   2  B   82  GLN  B  101  .  ?        ?     ?  
622  1   2  B   83  LEU  B  102  .  ?        ?     ?  
623  1   2  B   84  SER  B  103  .  ?        1     ?  
624  1   2  B   85  SER  B  104  .  ?        ?     ?  
625  1   2  B   86  LEU  B  105  .  ?        ?     ?  
626  1   2  B   87  THR  B  106  .  ?        ?     ?  
627  1   2  B   88  SER  B  107  .  ?        ?     ?  
628  1   2  B   89  GLU  B  108  .  ?        1     ?  
629  1   2  B   90  ASP  B  109  .  ?        1     ?  
630  1   2  B   91  SER  B  110  .  ?        ?     ?  
631  1   2  B   92  ALA  B  111  .  ?        ?     ?  
632  1   2  B   93  VAL  B  112  .  ?        ?     ?  
633  1   2  B   94  TYR  B  113  .  ?        1     ?  
634  1   2  B   95  PHE  B  114  .  ?        ?     ?  
635  1   2  B   96  CYS  B  115  .  ?        ?     ?  
636  1   2  B   97  ALA  B  116  .  ?        1     ?  
637  1   2  B   98  ARG  B  117  .  ?        ?     ?  
638  1   2  B   99  SER  B  118  .  ?        ?     ?  
639  1   2  B  100  ALA  B  119  .  ?        1     ?  
640  1   2  B  101  TYR  B  120  .  ?        ?     ?  
641  1   2  B  102  GLY  B  121  .  ?        ?     ?  
642  1   2  B  103  SER  B  122  .  ?        ?     ?  
643  1   2  B  104  GLU  B  123  .  ?        ?     ?  
644  1   2  B  105  GLY  B  124  .  ?        ?     ?  
645  1   2  B  106  PHE  B  125  .  ?        1     ?  
646  1   2  B  107  ALA  B  126  .  ?        ?     ?  
647  1   2  B  108  MET  B  127  .  ?        ?     ?  
648  1   2  B  109  ASP  B  128  .  ?        ?     ?  
649  1   2  B  110  TYR  B  129  .  ?        ?     ?  
650  1   2  B  111  TRP  B  130  .  ?        ?     ?  
651  1   2  B  112  GLY  B  131  .  ?        ?     ?  
652  1   2  B  113  GLN  B  132  .  ?        ?     ?  
653  1   2  B  114  GLY  B  133  .  ?        ?     ?  
654  1   2  B  115  THR  B  134  .  ?        ?     ?  
655  1   2  B  116  SER  B  135  .  ?        ?     ?  
656  1   2  B  117  VAL  B  136  .  ?        ?     ?  
657  1   2  B  118  THR  B  137  .  ?        ?     ?  
658  1   3  C    1  ASP  C   21  .  ?        ?     ?  
659  1   3  C    2  ILE  C   22  .  ?        ?     ?  
660  1   3  C    3  VAL  C   23  .  ?        ?     ?  
661  1   3  C    4  LEU  C   24  .  ?        ?     ?  
662  1   3  C    5  THR  C   25  .  ?        ?     ?  
663  1   3  C    6  GLN  C   26  .  ?        1     ?  
664  1   3  C    7  SER  C   27  .  ?        1     ?  
665  1   3  C    8  PRO  C   28  .  ?        ?     ?  
666  1   3  C    9  ALA  C   29  .  ?        ?     ?  
667  1   3  C   10  SER  C   30  .  ?        ?     ?  
668  1   3  C   11  LEU  C   31  .  ?        1     ?  
669  1   3  C   12  ALA  C   32  .  ?        ?     ?  
670  1   3  C   13  VAL  C   33  .  ?        ?     ?  
671  1   3  C   14  SER  C   34  .  ?        1     ?  
672  1   3  C   15  LEU  C   35  .  ?        ?     ?  
673  1   3  C   16  GLY  C   36  .  ?        ?     ?  
674  1   3  C   17  GLN  C   37  .  ?        1     ?  
675  1   3  C   18  ARG  C   38  .  ?        ?     ?  
676  1   3  C   19  ALA  C   39  .  ?        ?     ?  
677  1   3  C   20  THR  C   40  .  ?        ?     ?  
678  1   3  C   21  ILE  C   41  .  ?        ?     ?  
679  1   3  C   22  SER  C   42  .  ?        ?     ?  
680  1   3  C   23  CYS  C   43  .  ?        1     ?  
681  1   3  C   24  ARG  C   44  .  ?        1     ?  
682  1   3  C   25  ALA  C   45  .  ?        ?     ?  
683  1   3  C   26  SER  C   46  .  ?        ?     ?  
684  1   3  C   27  GLU  C   47  .  ?        ?     ?  
685  1   3  C   28  SER  C   48  .  ?        ?     ?  
686  1   3  C   29  VAL  C   49  .  ?        ?     ?  
687  1   3  C   30  ASP  C   50  .  ?        ?     ?  
688  1   3  C   31  ASN  C   51  .  ?        ?     ?  
689  1   3  C   32  TYR  C   52  .  ?        ?     ?  
690  1   3  C   33  GLY  C   53  .  ?        ?     ?  
691  1   3  C   34  ILE  C   54  .  ?        ?     ?  
692  1   3  C   35  SER  C   55  .  ?        ?     ?  
693  1   3  C   36  PHE  C   56  .  ?        ?     ?  
694  1   3  C   37  LEU  C   57  .  ?        ?     ?  
695  1   3  C   38  ASN  C   58  .  ?        ?     ?  
696  1   3  C   39  TRP  C   59  .  ?        ?     ?  
697  1   3  C   40  PHE  C   60  .  ?        ?     ?  
698  1   3  C   41  GLN  C   61  .  ?        ?     ?  
699  1   3  C   42  GLN  C   62  .  ?        ?     ?  
700  1   3  C   43  LYS  C   63  .  ?        1     ?  
701  1   3  C   44  PRO  C   64  .  ?        ?     ?  
702  1   3  C   45  GLY  C   65  .  ?        ?     ?  
703  1   3  C   46  GLN  C   66  .  ?        1     ?  
704  1   3  C   47  PRO  C   67  .  ?        ?     ?  
705  1   3  C   48  PRO  C   68  .  ?        ?     ?  
706  1   3  C   49  LYS  C   69  .  ?        ?     ?  
707  1   3  C   50  LEU  C   70  .  ?        ?     ?  
708  1   3  C   51  LEU  C   71  .  ?        ?     ?  
709  1   3  C   52  ILE  C   72  .  ?        ?     ?  
710  1   3  C   53  TYR  C   73  .  ?        ?     ?  
711  1   3  C   54  ALA  C   74  .  ?        ?     ?  
712  1   3  C   55  ALA  C   75  .  ?        ?     ?  
713  1   3  C   56  SER  C   76  .  ?        ?     ?  
714  1   3  C   57  ASN  C   77  .  ?        ?     ?  
715  1   3  C   58  GLN  C   78  .  ?        1     ?  
716  1   3  C   59  GLY  C   79  .  ?        ?     ?  
717  1   3  C   60  SER  C   80  .  ?        ?     ?  
718  1   3  C   61  GLY  C   81  .  ?        ?     ?  
719  1   3  C   62  VAL  C   82  .  ?        ?     ?  
720  1   3  C   63  PRO  C   83  .  ?        ?     ?  
721  1   3  C   64  ALA  C   84  .  ?        ?     ?  
722  1   3  C   65  ARG  C   85  .  ?        ?     ?  
723  1   3  C   66  PHE  C   86  .  ?        ?     ?  
724  1   3  C   67  SER  C   87  .  ?        1     ?  
725  1   3  C   68  GLY  C   88  .  ?        ?     ?  
726  1   3  C   69  SER  C   89  .  ?        ?     ?  
727  1   3  C   70  GLY  C   90  .  ?        ?     ?  
728  1   3  C   71  SER  C   91  .  ?        ?     ?  
729  1   3  C   72  GLY  C   92  .  ?        ?     ?  
730  1   3  C   73  THR  C   93  .  ?        ?     ?  
731  1   3  C   74  TYR  C   94  .  ?        ?     ?  
732  1   3  C   75  PHE  C   95  .  ?        ?     ?  
733  1   3  C   76  SER  C   96  .  ?        ?     ?  
734  1   3  C   77  LEU  C   97  .  ?        ?     ?  
735  1   3  C   78  ASN  C   98  .  ?        ?     ?  
736  1   3  C   79  ILE  C   99  .  ?        ?     ?  
737  1   3  C   80  HIS  C  100  .  ?        1     ?  
738  1   3  C   81  PRO  C  101  .  ?        1     ?  
739  1   3  C   82  MET  C  102  .  ?        ?     ?  
740  1   3  C   83  GLU  C  103  .  ?        ?     ?  
741  1   3  C   84  GLU  C  104  .  ?        ?     ?  
742  1   3  C   85  ASP  C  105  .  ?        ?     ?  
743  1   3  C   86  ASP  C  106  .  ?        ?     ?  
744  1   3  C   87  THR  C  107  .  ?        ?     ?  
745  1   3  C   88  ALA  C  108  .  ?        ?     ?  
746  1   3  C   89  VAL  C  109  .  ?        ?     ?  
747  1   3  C   90  TYR  C  110  .  ?        ?     ?  
748  1   3  C   91  PHE  C  111  .  ?        ?     ?  
749  1   3  C   92  CYS  C  112  .  ?        ?     ?  
750  1   3  C   93  GLN  C  113  .  ?        ?     ?  
751  1   3  C   94  GLN  C  114  .  ?        2     ?  
752  1   3  C   95  THR  C  115  .  ?        ?     ?  
753  1   3  C   96  LYS  C  116  .  ?        ?     ?  
754  1   3  C   97  GLY  C  117  .  ?        ?     ?  
755  1   3  C   98  VAL  C  118  .  ?        ?     ?  
756  1   3  C   99  SER  C  119  .  ?        2     ?  
757  1   3  C  100  TRP  C  120  .  ?        ?     ?  
758  1   3  C  101  THR  C  121  .  ?        ?     ?  
759  1   3  C  102  PHE  C  122  .  ?        ?     ?  
760  1   3  C  103  GLY  C  123  .  ?        ?     ?  
761  1   3  C  104  GLY  C  124  .  ?        ?     ?  
762  1   3  C  105  GLY  C  125  .  ?        ?     ?  
763  1   3  C  106  THR  C  126  .  ?        ?     ?  
764  1   3  C  107  LYS  C  127  .  ?        ?     ?  
765  1   3  C  108  VAL  C  128  .  ?        1     ?  
766  1   3  C  109  GLU  C  129  .  ?        ?     ?  
767  1   3  C  110  ILE  C  130  .  ?        ?     ?  
768  1   4  D    .  NAG  D    1  .  ?        ?     1  
769  1   4  D    .  NAG  D    2  .  ?        ?     4  
770  1   5  E    .  D12  A  901  .  ?        ?     ?  
771  1   5  F    .  D12  A  902  .  ?        ?     ?  
772  1   6  G    .  HP6  A  903  .  ?        ?     ?  
773  1   6  H    .  HP6  A  904  .  ?        1     ?  
774  1   7  I    .  D10  A  905  .  ?        1     ?  
775  1   8  J    .  LNK  A  906  .  ?        ?     ?  
776  1   7  K    .  D10  A  907  .  ?        ?     ?  
777  1   7  L    .  D10  A  908  .  ?        ?     ?  
778  1   9  M    .  SRO  A  909  .  ?        ?     1  
779  1   9  N    .  SRO  A  910  .  ?        2     1  
780  1  10  O    .  CL   A  911  .  ?        1     ?  
#
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  mmt-85        ?       ?  ?           ?  12  11  0.14  14  0.33  molprobity  
  2    2  pm0       -70.4   -31.9  Favored     ?   6   9  0.24  12  0.32  molprobity  
  3    3  t        -122.3    44.9  Favored     ?   7   7  0.15  10  0.50  molprobity  
  4    4  t-105     -66.1   -32.5  Favored     ?  10  16  0.20  23  0.35  molprobity  
  5    5  ?         -66.7   -50.4  Favored     ?   3   4  0.15   5  0.29  molprobity  
  6    6  tmmt?     -62.2   -37.6  Favored     ?  13   9  0.29  11  0.36  molprobity  
  7    7  tppt?     -65.1   -43.0  Favored     ?  13   9  0.24  11  0.37  molprobity  
  8    8  p         -72.9   -30.2  Favored     ?   9   7  0.19  10  0.42  molprobity  
  9    9  m-20      -65.5   -45.4  Favored     ?   4   8  0.20  11  0.32  molprobity  
 10   10  m-30      -64.9   -35.4  Favored     ?   9  12  0.34  16  0.22  molprobity  
 11   11  tt        -62.5   -43.2  Favored     ?  11   8  0.26  11  1.02  molprobity  
 12   12  mt        -63.0   -43.2  Favored     ?  11   8  0.25  11  0.36  molprobity  
 13   13  p         -67.2   -30.6  Favored     ?   5   6  0.25   8  0.47  molprobity  
 14   14  m         -83.1   -36.8  Favored     ?   9   7  0.19  10  0.54  molprobity  
 15   15  tt        -69.0   -23.1  Favored     ?  11   8  0.24  11  0.67  molprobity  
 16   16  ?         -77.0    -4.5  Favored     ?   3   4  0.23   5  0.48  molprobity  
 17   17  t80      -134.7   -17.4  Allowed     ?   9  13  0.24  18  0.58  molprobity  
 18   18  ?        -107.6   -42.6  Favored     ?   5   5  0.36   7  0.55  molprobity  
 19   19  p         -65.1   141.2  Favored     ?   9   7  0.23  10  0.35  molprobity  
 20   20  p30      -146.5   176.8  Favored     ?   4   8  0.12  11  0.48  molprobity  
 21   21  tt        -69.8   -20.0  Favored     ?  11   8  0.25  11  0.90  molprobity  
 22   22  ?         -60.8   -56.4  Favored     ?   3   4  0.20   5  0.14  molprobity  
 23   23  p30       -66.8    -3.7  Favored     1   6   8  0.24  11  0.42  molprobity  
 24   24  t        -104.5   -31.2  Favored     ?   9   7  0.23  10  0.41  molprobity  
 25   25  t90      -111.2   -43.8  Favored     ?  10  16  0.11  23  0.33  molprobity  
 26   26  tpt180    -71.7   -30.3  Favored     ?  13  11  0.16  14  0.38  molprobity  
 27   27  t80       -75.4   -46.7  Favored     ?   9  12  0.39  17  0.54  molprobity  
 28   28  Cg_exo    -59.7   -49.1  Favored     ?   7   8  0.30  11  0.43  molprobity  
 29   29  p90       -70.1   -33.4  Favored     ?   9  13  0.30  18  0.29  molprobity  
 30   30  mm        -65.9   -42.9  Favored     ?  11   8  0.19  11  0.31  molprobity  
 31   31  t         -65.6   -34.9  Favored     ?   5   6  0.21   8  0.29  molprobity  
 32   32  t80       -70.9   -36.5  Favored     ?   9  13  0.28  18  0.23  molprobity  
 33   33  mt-30     -65.1   -32.3  Favored     ?   8   9  0.23  12  0.26  molprobity  
 34   34  m120      -92.8    -4.3  Favored     ?   6   8  0.23  11  0.49  molprobity  
 35   35  ?          93.7   131.7  Favored     ?   3   4  0.30   5  0.44  molprobity  
 36   36  ?         -69.1   154.5  Favored     ?   3   4  0.28   5  0.50  molprobity  
 37   37  ?          76.8   -51.1  Favored     ?   3   4  0.24   5  0.37  molprobity  
 38   38  ?         -74.6     1.5  Favored     ?   5   5  0.29   7  0.40  molprobity  
 39   39  t80      -111.7   -23.5  Favored     ?   9  12  0.33  16  0.39  molprobity  
 40   40  mm?       -70.9   -47.1  Favored     ?  11   8  0.25  11  0.49  molprobity  
 41   41  tt        -62.6   -47.0  Favored     ?  11   8  0.34  12  0.92  molprobity  
 42   42  Cg_exo    -61.5   -30.9  Favored     ?   7   8  0.24  11  0.29  molprobity  
 43   43  t80       -61.8   -50.5  Favored     ?   9  13  0.25  18  0.27  molprobity  
 44   44  p         -65.4   -35.5  Favored     ?   7   7  0.21  10  0.43  molprobity  
 45   45  mt        -62.9   -51.5  Favored     ?  11   8  0.22  11  0.26  molprobity  
 46   46  tpp       -58.0   -42.6  Favored     ?   9   8  0.27  10  0.34  molprobity  
 47   47  ?         -59.1   -64.2  Allowed     ?   5   5  0.28   7  0.27  molprobity  
 48   48  tp        -61.7   -14.9  Favored     ?  11   8  0.17  11  0.46  molprobity  
 49   49  m-30      -90.9   -47.5  Favored     ?   9  12  0.33  16  0.50  molprobity  
 50   50  ?        -139.5    30.2  Favored     ?   3   4  0.28   5  1.19  molprobity  
 51   51  ?        -124.1   -26.4  Allowed     ?   3   4  0.30   5  0.21  molprobity  
 52   52  mm        -81.2   -48.8  Allowed     ?  11   8  0.33  12  0.54  molprobity  
 53   53  Cg_exo    -62.5   -39.5  Favored     ?   7   8  0.29  11  0.36  molprobity  
 54   54  mt        -64.4   -39.1  Favored     ?  11   8  0.22  11  0.24  molprobity  
 55   55  t80       -59.0   -50.3  Favored     ?   9  12  0.33  16  0.26  molprobity  
 56   56  t80       -64.6   -38.2  Favored     ?   9  13  0.26  18  0.21  molprobity  
 57   57  ttp       -64.3   -45.9  Favored     ?   9   8  0.24  10  0.36  molprobity  
 58   58  mt-10     -63.4   -41.2  Favored     ?   6   9  0.23  12  0.31  molprobity  
 59   59  mt        -63.3   -44.0  Favored     ?  11   8  0.24  11  0.27  molprobity  
 60   60  ?         -65.2   -41.0  Favored     ?   5   5  0.25   7  0.29  molprobity  
 61   61  mt        -63.8   -42.9  Favored     ?  11   8  0.28  11  0.45  molprobity  
 62   62  ?         -65.3   -37.3  Favored     ?   3   4  0.13   5  0.32  molprobity  
 63   63  mt-30     -73.3   -30.9  Favored     1   8   9  0.24  12  0.30  molprobity  
 64   64  t80       -84.5   -57.6  Favored     ?   9  13  0.22  18  0.26  molprobity  
 65   65  m-70      -70.4   -35.3  Favored     ?   7  11  0.18  15  0.26  molprobity  
 66   66  mtt-85     57.0    61.6  Favored     ?  13  11  0.17  14  0.46  molprobity  
 67   67  m-20     -147.2   177.1  Favored     ?   6   8  0.24  11  0.44  molprobity  
 68   68  ?         -74.4   171.4  Favored     ?   3   4  0.29   5  0.69  molprobity  
 69   69  p         -65.1   -22.2  Favored     ?   5   6  0.22   8  0.36  molprobity  
 70   70  tt        -99.3   -25.1  Favored     ?  11   8  0.16  11  0.25  molprobity  
 71   71  t         -80.8    -5.2  Favored     ?   5   6  0.21   8  0.48  molprobity  
 72   72  mm        -67.4   -37.0  Favored     ?  11   8  0.22  11  0.28  molprobity  
 73   73  m95       -69.3   -11.6  Favored     ?  10  16  0.15  23  0.29  molprobity  
 74   74  mmm-85    -72.9    -9.5  Favored     ?  13  11  0.17  14  0.37  molprobity  
 75   75  mtmt     -131.5     5.4  Favored     ?  13   9  0.23  11  0.36  molprobity  
 76   76  mt       -122.5   -61.6  Allowed     ?  11   8  0.21  11  0.32  molprobity  
 77   77  m        -142.8   101.3  Favored     ?   5   6  0.34   9  0.59  molprobity  
 78   78  Cg_exo    -64.0   -20.7  Favored     ?   7   8  0.25  11  0.38  molprobity  
 79   79  tt        -72.8   -33.0  Favored     ?  11   8  0.22  11  0.24  molprobity  
 80   80  m-85      -90.1    54.0  Favored     ?   9  12  0.35  16  0.28  molprobity  
 81   81  tttt      -92.2   -16.9  Favored     ?  13   9  0.26  11  0.49  molprobity  
 82   82  ?         -65.4   -13.5  Favored     ?   3   4  0.17   5  0.47  molprobity  
 83   83  mt        -62.2   -33.9  Favored     ?  11   8  0.24  11  0.49  molprobity  
 84   84  ?         -64.5   -46.4  Favored     ?   3   4  0.15   5  0.33  molprobity  
 85   85  m-85      -64.6   -36.3  Favored     ?   9  13  0.25  18  0.24  molprobity  
 86   86  ?         -62.5   -44.5  Favored     ?   5   5  0.24   7  0.26  molprobity  
 87   87  mm        -64.8   -38.6  Favored     ?  11   8  0.19  11  0.33  molprobity  
 88   88  m         -63.0   -44.4  Favored     ?   5   6  0.22   8  0.27  molprobity  
 89   89  mm        -66.8   -37.2  Favored     ?  11   8  0.22  11  0.33  molprobity  
 90   90  mt        -63.1   -45.5  Favored     ?  11   8  0.22  11  0.30  molprobity  
 91   91  ?         -66.8   -33.7  Favored     ?   5   5  0.25   7  0.24  molprobity  
 92   92  t80       -63.2   -46.4  Favored     ?   9  12  0.33  16  0.22  molprobity  
 93   93  m-30      -61.7   -41.7  Favored     ?   9  13  0.26  18  0.20  molprobity  
 94   94  mm        -55.8   -61.5  Allowed     ?  11   8  0.15  11  0.28  molprobity  
 95   95  ?         -57.2   -23.0  Favored     ?   5   5  0.26   7  0.32  molprobity  
 96   96  t         -70.6   -37.6  Favored     ?   5   6  0.21   8  0.25  molprobity  
 97   97  p90      -113.2    -0.8  Favored     ?   9  13  0.28  18  0.48  molprobity  
 98   98  t80       -89.0   -28.5  Favored     ?   9  13  0.25  18  0.33  molprobity  
 99   99  m-80      -70.6   -15.2  Favored     ?   6   8  0.24  11  0.36  molprobity  
100  100  m         -66.8   -39.0  Favored     ?   7   7  0.19  10  0.51  molprobity  
101  101  mm        -65.0   -42.3  Favored     ?  11   8  0.20  11  0.31  molprobity  
102  102  mtm       -66.6   -37.4  Favored     ?   9   8  0.25  10  0.29  molprobity  
103  103  ?         -63.5   -42.7  Favored     ?   5   5  0.25   7  0.26  molprobity  
104  104  m0        -63.6   -40.7  Favored     ?  10  16  0.16  23  0.19  molprobity  
105  105  ?         -65.0   -41.8  Favored     ?   5   5  0.25   7  0.35  molprobity  
106  106  tp        -69.2   -34.0  Favored     ?  11   8  0.21  11  0.28  molprobity  
107  107  t80       -65.5   -40.5  Favored     ?   9  13  0.25  18  0.19  molprobity  
108  108  m-85      -61.1   -41.6  Favored     ?   9  13  0.25  18  0.25  molprobity  
109  109  tp        -62.9   -41.1  Favored     ?  11   8  0.21  11  0.33  molprobity  
110  110  mt        -67.3   -41.6  Favored     ?  11   8  0.21  11  0.27  molprobity  
111  111  p         -76.5   -11.3  Favored     ?   5   6  0.23   8  0.45  molprobity  
112  112  t         -94.5    30.4  Favored     ?   5   6  0.23   8  0.31  molprobity  
113  113  m-30      -98.9   -18.7  Favored     ?   9  12  0.32  16  0.37  molprobity  
114  114  p         -73.5   165.6  Favored     ?   7   7  0.20  10  0.65  molprobity  
115  115  m-20      -70.6   -40.9  Favored     ?   4   8  0.18  11  0.22  molprobity  
116  116  tp-100    -90.3   125.4  Favored     1   8   9  0.28  12  0.36  molprobity  
117  117  mp        -69.2   131.1  Favored     ?  11   8  0.24  12  0.32  molprobity  
118  118  Cg_exo    -66.6   -18.1  Favored     ?   7   8  0.26  11  0.38  molprobity  
119  119  m-90      -73.5   -25.0  Favored     ?  10  16  0.15  23  0.22  molprobity  
120  120  p        -101.7    32.8  Favored     ?   7   7  0.19  10  0.52  molprobity  
121  121  p        -149.0   122.3  Favored     ?   5   6  0.22   8  0.42  molprobity  
122  122  p        -135.8    32.8  Favored     ?   4   6  0.23   8  0.39  molprobity  
123  123  pttt      -94.8    69.5  Favored     ?  13   9  0.24  11  0.56  molprobity  
124  124  t-20       56.6    46.1  Favored     ?   6   8  0.25  11  0.36  molprobity  
125  125  m         -82.3   -64.0  Allowed     ?   5   6  0.21   8  0.27  molprobity  
126  126  p90      -116.9   -59.6  Allowed     ?  10  16  0.14  23  0.25  molprobity  
127  127  t-20     -165.0   115.8  Allowed     ?   6   8  0.26  11  0.33  molprobity  
128  128  p        -138.6   130.0  Favored     ?   7   7  0.19  10  0.51  molprobity  
129  129  ?        -134.5   122.7  Favored     ?   3   4  0.23   5  0.37  molprobity  
130  130  m-20       56.8    61.9  Favored     ?   5   8  0.26  11  0.44  molprobity  
131  131  t         -90.6   163.4  Favored     ?   4   6  0.17   8  0.49  molprobity  
132  132  m        -150.4   102.8  Favored     ?   7   7  0.20  10  0.72  molprobity  
133  133  m-20      -62.3   -62.2  Allowed     ?   6   8  0.24  11  0.30  molprobity  
134  134  m-30      -97.1   130.5  Favored     ?   9  13  0.24  18  0.26  molprobity  
135  135  m-30      -70.3   -54.4  Favored     ?   9  12  0.33  16  0.22  molprobity  
136  136  t        -138.8    18.1  Favored     ?   5   6  0.29   8  0.29  molprobity  
137  137  mp0       -86.2    -5.3  Favored     ?   6   9  0.33  12  0.50  molprobity  
138  138  p-10     -137.2    19.9  Favored     ?   4   8  0.18  11  0.42  molprobity  
139  139  t-20       57.6    62.4  Favored     ?   6   8  0.28  11  0.49  molprobity  
140  140  tp       -113.0   143.5  Favored     ?  11   8  0.19  11  0.38  molprobity  
141  141  p         -90.9   112.7  Favored     ?   7   7  0.17  10  0.56  molprobity  
142  142  t-105     -77.8    94.5  Favored     ?  10  16  0.18  23  0.33  molprobity  
143  143  p         -85.7  -173.3  Favored     ?   7   7  0.20  10  0.58  molprobity  
144  144  mt        -78.9   170.8  Favored     ?  11   8  0.24  11  0.45  molprobity  
145  145  m-70       56.9    35.4  Favored     ?   7  11  0.17  15  0.26  molprobity  
146  146  m        -116.7   135.7  Favored     ?   5   6  0.25   8  0.36  molprobity  
147  147  p        -118.6   145.1  Favored     ?   7   7  0.20  10  0.64  molprobity  
148  148  m         -71.8   156.7  Favored     ?   5   6  0.20   9  0.19  molprobity  
149  149  Cg_exo    -62.6   -39.0  Favored     ?   7   8  0.23  11  0.29  molprobity  
150  150  ?         -66.3   -36.5  Favored     ?   5   5  0.27   7  0.26  molprobity  
151  151  mt-10     -63.3   -45.0  Favored     ?   6   9  0.21  12  0.31  molprobity  
152  152  mm-40     -63.2   -38.6  Favored     ?   6   9  0.23  12  0.29  molprobity  
153  153  t80       -61.0   -52.5  Favored     ?   9  12  0.29  16  0.23  molprobity  
154  154  t80       -61.4   -28.8  Favored     ?   9  13  0.26  18  0.24  molprobity  
155  155  m         -83.4   -26.0  Favored     ?   7   7  0.18  10  0.49  molprobity  
156  156  mmt85    -121.3    -8.6  Favored     ?  13  11  0.17  14  0.73  molprobity  
157  157  t-160    -114.9   -55.8  Favored     ?   7  11  0.11  15  0.35  molprobity  
158  158  p         -70.7   -37.2  Favored     ?   9   7  0.22  10  0.31  molprobity  
159  159  pt?      -143.9   134.0  Favored     ?  11   8  0.21  11  0.92  molprobity  
160  160  mt-30     -95.0    79.2  Favored     ?   8   9  0.24  12  0.56  molprobity  
161  161  tt        -71.3   -14.7  Favored     ?  11   8  0.19  11  0.37  molprobity  
162  162  p-80      -68.7   -23.4  Favored     ?   7  11  0.14  15  0.28  molprobity  
163  163  mtt180    -73.0   -21.8  Favored     ?  13  11  0.19  14  0.38  molprobity  
164  164  p        -105.0   127.6  Favored     ?   5   6  0.24   8  0.28  molprobity  
165  165  mmtm      -83.2     3.1  Favored     ?  13   9  0.22  11  0.50  molprobity  
166  166  ?         151.6  -167.2  Favored     ?   3   4  0.30   5  0.80  molprobity  
167  167  tp        -69.8   -31.2  Favored     ?  11   8  0.23  11  0.26  molprobity  
168  168  pt20      -76.9    -7.2  Favored     ?   8   9  0.23  12  0.42  molprobity  
169  169  t0       -127.4    99.3  Favored     ?   4   8  0.20  11  0.46  molprobity  
170  170  mt       -109.8   118.8  Favored     ?  11   8  0.23  11  0.33  molprobity  
171  171  ?         -81.7  -143.3  Favored     ?   3   4  0.33   5  0.20  molprobity  
172  172  ?         -81.6  -167.6  Favored     ?   3   4  0.40   5  0.77  molprobity  
173  173  mt       -109.4   128.1  Favored     ?  11   8  0.24  11  0.39  molprobity  
174  174  p         -73.6   123.9  Favored     ?   5   6  0.18   8  0.32  molprobity  
175  175  p-90      -69.1   -29.4  Favored     ?  10  16  0.16  23  0.17  molprobity  
176  176  pt20      -64.8   -27.7  Favored     ?   8   9  0.23  12  0.26  molprobity  
177  177  mt        -91.0   -31.1  Favored     ?  11   8  0.22  11  0.30  molprobity  
178  178  ?         -67.4   -47.2  Favored     ?   5   5  0.29   7  0.28  molprobity  
179  179  mp        -65.2   -21.8  Favored     ?  11   8  0.22  11  0.33  molprobity  
180  180  t         -80.9   -45.1  Favored     ?   5   6  0.32   8  0.31  molprobity  
181  181  tt        -68.2   -26.6  Favored     ?  11   8  0.18  11  0.33  molprobity  
182  182  mtt       -63.6   -49.2  Favored     ?   9   8  0.23  10  0.32  molprobity  
183  183  tt        -64.9   -34.4  Favored     ?  11   8  0.24  11  0.30  molprobity  
184  184  mt        -62.6   -49.2  Favored     ?  11   8  0.18  11  0.32  molprobity  
185  185  m-85      -65.6   -32.0  Favored     ?   9  12  0.34  16  0.22  molprobity  
186  186  m         -67.2   -45.3  Favored     ?   7   7  0.21  10  0.50  molprobity  
187  187  p         -73.2   -22.1  Favored     ?   9   7  0.17  10  0.31  molprobity  
188  188  mt        -75.6   -42.7  Favored     ?  11   8  0.18  11  0.28  molprobity  
189  189  t80       -64.5   -30.6  Favored     ?   9  13  0.23  18  0.25  molprobity  
190  190  m-30      -76.4   -17.9  Favored     ?   9  12  0.34  16  0.28  molprobity  
191  191  m         -89.0   -28.1  Favored     ?   5   6  0.28   8  0.30  molprobity  
192  192  pt       -101.1    23.7  Allowed     ?  11   8  0.19  11  0.21  molprobity  
193  193  t90       -61.3   -36.8  Favored     ?  10  16  0.18  23  0.18  molprobity  
194  194  mmtt     -117.0   -42.9  Favored     ?  13   9  0.21  11  0.50  molprobity  
195  195  ?          90.7    34.8  Favored     ?   3   4  0.27   5  0.24  molprobity  
196  196  t        -117.1    92.7  Favored     ?   9   7  0.25  10  0.62  molprobity  
197  197  mtpp     -141.2    93.3  Favored     ?  13   9  0.30  11  0.55  molprobity  
198  198  p        -118.0   -47.7  Favored     ?   7   7  0.23  10  0.62  molprobity  
199  199  t        -133.3    48.3  Favored     ?   5   6  0.21   8  0.49  molprobity  
200  200  ?         -68.4   151.8  Favored     ?   3   4  0.24   5  0.57  molprobity  
201  201  tptp      -75.7   -33.1  Favored     ?  13   9  0.22  11  0.53  molprobity  
202  202  t         -65.8   -36.3  Favored     ?   9   7  0.18  10  0.36  molprobity  
203  203  t         -68.8   -41.8  Favored     ?   9   7  0.22  10  0.34  molprobity  
204  204  m95       -66.6   -26.8  Favored     ?  10  16  0.17  23  0.21  molprobity  
205  205  p         -91.2   -29.9  Favored     ?   9   7  0.18  10  0.29  molprobity  
206  206  p         -82.0   -11.4  Favored     ?   7   7  0.18  10  0.60  molprobity  
207  207  ?         -97.6    27.2  Favored     ?   5   5  0.27   7  0.30  molprobity  
208  208  p        -115.1   -56.6  Favored     ?   7   7  0.18  10  0.53  molprobity  
209  209  p90       -67.3   -25.2  Allowed     ?   9  12  0.36  17  0.55  molprobity  
210  210  Cg_exo    -54.5   -40.1  Favored     ?   7   8  0.30  11  0.37  molprobity  
211  211  t80       -63.1   -47.8  Favored     ?   9  13  0.25  18  0.29  molprobity  
212  212  tp        -70.6   -32.4  Favored     ?  11   8  0.21  11  0.44  molprobity  
213  213  tp        -72.2   -36.0  Favored     ?  11   8  0.18  11  0.46  molprobity  
214  214  tp        -65.0   -38.6  Favored     ?  11   8  0.21  11  0.28  molprobity  
215  215  t         -64.2   -45.5  Favored     ?   5   6  0.18   8  0.44  molprobity  
216  216  p         -71.2   -32.6  Favored     ?   9   7  0.28  10  0.41  molprobity  
217  217  mm?       -66.4   -40.3  Favored     ?  11   8  0.24  11  0.35  molprobity  
218  218  tp        -63.5   -39.2  Favored     ?  11   8  0.22  11  0.35  molprobity  
219  219  t         -64.4   -44.5  Favored     ?   9   7  0.22  10  0.33  molprobity  
220  220  tpt85     -64.1   -37.0  Favored     ?  13  11  0.22  14  0.44  molprobity  
221  221  ?         -69.5   -33.4  Favored     ?   3   4  0.17   5  0.26  molprobity  
222  222  ?         -71.8   -41.4  Favored     ?   5   5  0.24   7  0.21  molprobity  
223  223  p         -84.8    17.9  Favored     ?   7   7  0.22  10  0.54  molprobity  
224  224  tp        -85.9   135.3  Favored     ?  11   8  0.22  12  0.32  molprobity  
225  225  Cg_exo    -65.8   136.8  Favored     ?   7   8  0.18  11  0.30  molprobity  
226  226  ?          69.2    27.1  Favored     ?   3   4  0.26   5  0.40  molprobity  
227  227  ?         -98.9     5.8  Favored     ?   5   5  0.30   7  0.41  molprobity  
228  228  t-105     -82.8    -7.8  Favored     ?  10  16  0.14  23  0.26  molprobity  
229  229  mtp180    -81.0    -7.5  Favored     ?  13  11  0.20  14  0.50  molprobity  
230  230  ?         -99.2   -18.8  Favored     ?   3   4  0.27   5  0.27  molprobity  
231  231  t         -75.1   -37.9  Favored     ?   9   7  0.18  10  0.35  molprobity  
232  232  mm?       -67.0   -39.3  Favored     ?  11   8  0.24  11  0.50  molprobity  
233  233  t80       -71.3   -22.8  Favored     ?   9  12  0.31  16  0.23  molprobity  
234  234  t80       -82.9   -17.1  Favored     ?   9  13  0.23  18  0.32  molprobity  
235  235  mt       -126.5    46.3  Favored     ?  11   8  0.21  11  0.40  molprobity  
236  236  ttmm     -106.5   132.4  Favored     ?  13   9  0.25  12  0.34  molprobity  
237  237  Cg_exo    -58.5   -58.5  Allowed     ?   7   8  0.16  11  0.28  molprobity  
238  238  t-20       56.4    63.7  Allowed     ?   6   8  0.25  11  0.45  molprobity  
239  239  m95       -77.7   -12.4  Favored     ?  10  16  0.15  23  0.36  molprobity  
240  240  pp0?      -71.8   -31.1  Favored     ?   8   9  0.22  12  0.33  molprobity  
241  241  ptmm?    -107.5    33.3  Favored     ?  13   9  0.22  11  0.29  molprobity  
242  242  tp       -123.5     3.4  Favored     ?  11   8  0.24  11  0.44  molprobity  
243  243  mt        -82.7   -62.0  Allowed     ?  11   8  0.19  11  0.26  molprobity  
244  244  mm-40    -136.6    45.1  Favored     ?   6   9  0.21  12  0.31  molprobity  
245  245  p        -101.4   -12.8  Favored     ?   7   7  0.20  10  0.75  molprobity  
246  246  ?          78.7    51.1  Favored     ?   3   4  0.24   5  0.17  molprobity  
247  247  t         -94.2   -30.7  Favored     ?   9   7  0.16  10  0.35  molprobity  
248  248  m-90      -64.2   -24.9  Favored     ?  10  16  0.14  23  0.29  molprobity  
249  249  pt        -69.1   -37.5  Favored     ?  11   8  0.19  11  0.33  molprobity  
250  250  m-20      -68.9   -41.0  Favored     ?   4   8  0.19  11  0.27  molprobity  
251  251  ?         -63.3   -38.4  Favored     ?   5   5  0.26   7  0.26  molprobity  
252  252  ?         -63.5   -47.7  Favored     ?   5   5  0.25   7  0.25  molprobity  
253  253  ?         -59.4   -42.4  Favored     ?   5   5  0.28   7  0.26  molprobity  
254  254  tp-100    -65.4   -44.6  Favored     1   8   9  0.23  12  0.31  molprobity  
255  255  tp        -71.9   -26.2  Favored     ?  11   8  0.18  11  0.38  molprobity  
256  256  m-85      -79.3   -31.7  Favored     ?   9  12  0.34  16  0.23  molprobity  
257  257  t80       -76.3   -35.1  Favored     ?   9  12  0.33  16  0.23  molprobity  
258  258  t         -82.7   -43.9  Favored     ?   5   6  0.19   8  0.31  molprobity  
259  259  mt        -67.8   -47.6  Favored     ?  11   8  0.24  11  0.41  molprobity  
260  260  ?         126.3   -40.7  Allowed     ?   3   4  0.46   6  0.58  molprobity  
261  261  Cg_endo   -57.8   137.0  Favored     ?   7   8  0.23  11  0.38  molprobity  
262  262  ?          99.7     1.1  Favored     ?   3   4  0.35   5  0.55  molprobity  
263  263  m-85     -125.2    -4.6  Favored     ?   9  12  0.36  16  0.59  molprobity  
264  264  ?          77.3    10.7  Favored     ?   3   4  0.28   5  0.55  molprobity  
265  265  m         -86.5   -23.1  Favored     ?   9   7  0.25  10  0.49  molprobity  
266  266  mp        -80.4   -36.2  Favored     ?  11   8  0.22  11  0.37  molprobity  
267  267  mp        -68.8   -40.8  Favored     ?  11   8  0.20  11  0.31  molprobity  
268  268  ?         -66.3   -30.6  Favored     ?   5   5  0.26   7  0.19  molprobity  
269  269  m-30      -86.0   -22.6  Favored     ?   9  12  0.34  16  0.31  molprobity  
270  270  ?         -89.6   -15.8  Favored     ?   5   5  0.33   7  0.42  molprobity  
271  271  t         -61.7   -29.4  Favored     ?   5   6  0.21   8  0.25  molprobity  
272  272  p90      -143.1  -175.0  Favored     ?   9  13  0.23  18  0.55  molprobity  
273  273  t30        66.7    -2.7  Allowed     ?   6   8  0.31  11  0.46  molprobity  
274  274  ptpt     -157.3   129.4  Favored     ?  13   9  0.20  11  0.38  molprobity  
275  275  t80      -152.2    98.2  Favored     ?   9  12  0.35  16  0.45  molprobity  
276  276  m-80       56.7    63.9  Allowed     ?   6   8  0.19  11  0.50  molprobity  
277  277  p30      -127.5    81.5  Favored     ?   6   8  0.38  11  0.63  molprobity  
278  278  t30        51.4    65.4  Allowed     ?   6   8  0.23  11  0.48  molprobity  
279  279  t         -77.6   176.3  Favored     ?   5   6  0.18   8  0.73  molprobity  
280  280  t80        68.1    -2.8  Allowed     ?   9  13  0.26  18  0.45  molprobity  
281  281  tp60     -125.9   -28.8  Favored     ?   8   9  0.23  12  0.30  molprobity  
282  282  p-10      -64.3   -43.8  Favored     ?   4   8  0.17  11  0.29  molprobity  
283  283  ?         -63.4   -38.7  Favored     ?   5   5  0.27   7  0.23  molprobity  
284  284  mt        -63.2   -49.1  Favored     ?  11   8  0.22  11  0.36  molprobity  
285  285  p         -68.8   -32.8  Favored     ?   9   7  0.22  10  0.31  molprobity  
286  286  m         -63.8   -47.2  Favored     ?   7   7  0.18  10  0.48  molprobity  
287  287  p         -63.1   -36.6  Favored     ?   5   6  0.23   8  0.24  molprobity  
288  288  t         -64.8   -48.6  Favored     ?   9   7  0.18  10  0.42  molprobity  
289  289  p         -68.7   -32.9  Favored     ?   9   7  0.20  10  0.34  molprobity  
290  290  t-20      -65.0   -45.0  Favored     ?   6   8  0.23  11  0.26  molprobity  
291  291  m         -64.2   -38.3  Favored     ?   5   6  0.19   8  0.29  molprobity  
292  292  mmt       -65.5   -43.8  Favored     ?   9   8  0.31  10  0.54  molprobity  
293  293  m         -63.7   -41.2  Favored     ?   7   7  0.20  10  0.51  molprobity  
294  294  t         -63.3   -41.5  Favored     ?   5   6  0.19   8  0.27  molprobity  
295  295  t80       -65.5   -40.8  Favored     ?   9  12  0.32  16  0.21  molprobity  
296  296  t         -64.9   -42.9  Favored     ?   9   7  0.22  10  0.36  molprobity  
297  297  m         -62.9   -45.0  Favored     ?   5   6  0.28   8  0.48  molprobity  
298  298  ?         -63.2   -38.4  Favored     ?   3   4  0.12   5  0.26  molprobity  
299  299  t80       -64.7   -43.6  Favored     ?   9  12  0.34  16  0.22  molprobity  
300  300  t         -63.2   -43.5  Favored     ?   9   7  0.24  10  0.33  molprobity  
301  301  mm        -63.5   -44.6  Favored     ?  11   8  0.17  11  0.34  molprobity  
302  302  m-85      -69.6   -31.2  Favored     ?   9  12  0.34  16  0.26  molprobity  
303  303  m         -65.6   -44.8  Favored     ?   7   7  0.20  10  0.52  molprobity  
304  304  t         -65.0   -35.8  Favored     ?   9   7  0.23  10  0.37  molprobity  
305  305  tp        -65.2   -42.8  Favored     ?  11   8  0.25  11  0.47  molprobity  
306  306  ?         -65.6   -36.0  Favored     ?   3   4  0.11   5  0.28  molprobity  
307  307  t80       -61.8   -46.5  Favored     ?   9  13  0.26  18  0.28  molprobity  
308  308  mtm       -65.2   -33.8  Favored     ?   9   8  0.24  10  0.31  molprobity  
309  309  ?         -68.2   -42.2  Favored     ?   5   5  0.25   7  0.27  molprobity  
310  310  tm-20     -66.5   -30.8  Favored     ?   6   9  0.22  12  0.30  molprobity  
311  311  mmt       -75.1   -41.0  Favored     ?   9   8  0.23  10  0.25  molprobity  
312  312  mtt180    -83.6    -6.2  Favored     ?  13  11  0.17  14  0.45  molprobity  
313  313  m120       56.8    60.6  Favored     ?   6   8  0.24  11  0.40  molprobity  
314  314  tt0      -150.7   175.1  Favored     ?   6   9  0.21  12  0.47  molprobity  
315  315  m-20      -67.7   154.9  Favored     ?   4   8  0.15  11  0.39  molprobity  
316  316  t         -69.6   -40.0  Favored     ?   9   7  0.19  10  0.32  molprobity  
317  317  p         -81.7     1.1  Favored     ?   5   6  0.26   8  0.44  molprobity  
318  318  mm-40    -111.0     1.1  Favored     ?   6   9  0.37  12  0.50  molprobity  
319  319  t         -66.7   -58.3  Favored     ?   9   7  0.22  10  0.36  molprobity  
320  320  ?         -94.2    99.2  Favored     ?   5   5  0.17   7  0.77  molprobity  
321  321  mptt      -62.2   -63.5  Allowed     ?  13   9  0.24  11  0.30  molprobity  
322  322  m-20     -134.3    46.3  Favored     ?   4   8  0.20  11  0.38  molprobity  
323  323  ?         -85.0   129.0  Favored     ?   5   5  0.25   7  0.21  molprobity  
324  324  ?         -96.0  -108.8  Favored     ?   3   4  0.48   6  0.39  molprobity  
325  325  Cg_endo   -75.0     5.6  Favored     ?   7   8  0.17  11  0.22  molprobity  
326  326  t         -90.1    -0.9  Favored     ?   5   6  0.20   8  0.45  molprobity  
327  327  tp        -74.0   -23.0  Favored     ?  11   8  0.20  11  0.35  molprobity  
328  328  tp        -69.7   -61.1  Allowed     ?  11   8  0.23  11  0.62  molprobity  
329  329  m-85      -70.9     3.8  Favored     ?   9  12  0.37  16  0.44  molprobity  
330  330  mt       -105.2   -55.7  Favored     ?  11   8  0.15  11  0.28  molprobity  
331  331  p         -63.7   -45.3  Favored     ?   7   7  0.19  10  0.56  molprobity  
332  332  m-30      -66.4   -32.3  Favored     ?   9  13  0.25  18  0.22  molprobity  
333  333  ?         -64.3   -49.0  Favored     ?   5   5  0.23   7  0.36  molprobity  
334  334  mm-40     -67.7   -24.6  Favored     ?   6   9  0.23  12  0.37  molprobity  
335  335  ?         -74.4   -42.9  Favored     ?   5   5  0.27   7  0.27  molprobity  
336  336  mt        -71.2   -31.0  Favored     ?  11   8  0.21  11  0.32  molprobity  
337  337  ?         -67.0    -9.9  Favored     ?   5   5  0.27   7  0.52  molprobity  
338  338  m-20     -114.8    41.6  Favored     1   6   8  0.21  11  0.30  molprobity  
339  339  mtp      -124.6   148.6  Favored     ?   9   8  0.26  11  0.36  molprobity  
340  340  Cg_exo    -59.3   -56.2  Allowed     ?   7   8  0.12  11  0.16  molprobity  
341  341  ?         -90.8    76.4  Favored     ?   5   5  0.14   7  0.88  molprobity  
342  342  m         -69.3   -47.4  Favored     ?   5   6  0.18   8  0.28  molprobity  
343  343  m         -66.8   -45.5  Favored     ?   7   7  0.20  10  0.50  molprobity  
344  344  t80       -65.4   -48.4  Favored     ?   9  12  0.32  16  0.27  molprobity  
345  345  m-85      -62.8   -37.5  Favored     ?   9  12  0.34  16  0.19  molprobity  
346  346  ?         -64.8   -46.6  Favored     ?   5   5  0.27   7  0.37  molprobity  
347  347  tt        -68.7   -34.7  Favored     ?  11   8  0.20  11  0.42  molprobity  
348  348  mm        -67.7   -42.8  Favored     ?  11   8  0.23  11  0.33  molprobity  
349  349  t80       -64.4   -41.2  Favored     ?   9  12  0.34  16  0.26  molprobity  
350  350  m-85      -65.8   -38.1  Favored     ?   9  12  0.34  16  0.25  molprobity  
351  351  tp        -66.0   -44.6  Favored     ?  11   8  0.23  11  0.37  molprobity  
352  352  ppp?      -67.2   -35.7  Favored     ?   9   8  0.19  10  0.62  molprobity  
353  353  tp        -65.8   -40.6  Favored     ?  11   8  0.22  11  0.24  molprobity  
354  354  mm        -64.5   -42.9  Favored     ?  11   8  0.21  11  0.34  molprobity  
355  355  p         -65.0   -39.5  Favored     ?   7   7  0.18  10  0.50  molprobity  
356  356  tp        -65.3   -42.4  Favored     ?  11   8  0.26  11  0.47  molprobity  
357  357  ?         -63.3   -39.5  Favored     ?   3   4  0.08   5  0.30  molprobity  
358  358  mt        -65.0   -43.4  Favored     ?  11   8  0.23  11  0.26  molprobity  
359  359  m-20      -65.1   -33.2  Favored     ?   4   8  0.20  11  0.27  molprobity  
360  360  t         -71.2   -36.7  Favored     ?   5   6  0.22   8  0.25  molprobity  
361  361  m         -70.5   -38.2  Favored     ?   7   7  0.20  10  0.48  molprobity  
362  362  m-30      -63.7   -27.0  Favored     ?   9  12  0.34  16  0.18  molprobity  
363  363  ?         -78.4   -34.4  Favored     ?   5   5  0.31   7  0.51  molprobity  
364  364  ?         -71.7   -40.9  Favored     ?   3   4  0.13   5  0.28  molprobity  
365  365  mt        -71.4   -24.6  Favored     ?  11   8  0.22  11  0.23  molprobity  
366  366  tp10      -69.0   -27.7  Favored     ?   6   9  0.24  12  0.38  molprobity  
367  367  ?         -71.3   -13.2  Favored     ?   3   4  0.22   5  0.47  molprobity  
368  368  t        -113.2   -29.8  Favored     ?   9   7  0.23  10  0.42  molprobity  
369  369  mm        -69.6   -57.3  Favored     ?  11   8  0.19  11  0.27  molprobity  
370  370  p         -76.0    -6.9  Favored     ?   7   7  0.18  10  0.64  molprobity  
371  371  ?         -79.7   -48.7  Favored     ?   5   5  0.25   7  0.20  molprobity  
372  372  m         -74.9    -9.2  Favored     ?   9   7  0.20  10  0.52  molprobity  
373  373  mt        -77.1    -8.5  Favored     ?  11   8  0.20  11  0.42  molprobity  
374  374  m-20      -83.9   -40.9  Favored     ?   4   8  0.18  11  0.22  molprobity  
375  375  mp0       -74.5   -23.4  Favored     ?   6   9  0.25  12  0.38  molprobity  
376  376  m-85     -130.9    74.0  Favored     ?   9  12  0.37  17  0.32  molprobity  
377  377  Cg_endo   -85.3     3.7  Favored     ?   7   8  0.15  11  0.51  molprobity  
378  378  p-80     -119.6    -8.5  Favored     ?   7  11  0.17  15  0.48  molprobity  
379  379  p        -120.4   -27.0  Favored     ?   9   7  0.14  10  0.23  molprobity  
380  380  m95      -121.3   -24.2  Favored     ?  10  16  0.15  23  0.44  molprobity  
381  381  ?         -76.0   -43.5  Favored     ?   5   5  0.27   7  0.27  molprobity  
382  382  tppt?     -69.2   -27.9  Favored     ?  13   9  0.35  11  0.44  molprobity  
383  383  mtt180    -68.2   -61.2  Allowed     ?  13  11  0.16  14  0.53  molprobity  
384  384  tpt180     66.1    -1.8  Allowed     ?  13  11  0.20  14  0.53  molprobity  
385  385  mm-40    -120.2   -40.6  Favored     ?   6   9  0.17  12  0.42  molprobity  
386  386  mmp_?     -77.8    -7.7  Favored     ?  13  11  0.19  14  0.45  molprobity  
387  387  t80      -105.1   -36.1  Favored     ?   9  12  0.32  16  0.35  molprobity  
388  388  t         -65.7   -48.8  Favored     ?   9   7  0.20  10  0.37  molprobity  
389  389  tt        -63.1   -35.0  Favored     ?  11   8  0.21  11  0.58  molprobity  
390  390  ?         -64.3   -47.3  Favored     ?   5   5  0.26   7  0.39  molprobity  
391  391  p         -70.2   -29.1  Favored     ?   9   7  0.17  10  0.39  molprobity  
392  392  t         -66.6   -44.8  Favored     ?   9   7  0.18  10  0.34  molprobity  
393  393  mm        -64.9   -37.2  Favored     ?  11   8  0.23  11  0.32  molprobity  
394  394  m         -64.9   -42.7  Favored     ?   7   7  0.20  10  0.48  molprobity  
395  395  m         -70.5   -29.4  Favored     ?   5   6  0.18   8  0.27  molprobity  
396  396  t80       -72.8   -40.1  Favored     ?   9  12  0.35  16  0.22  molprobity  
397  397  m-30      -66.5   -31.8  Favored     ?   9  12  0.37  16  0.34  molprobity  
398  398  ?         -78.9   -24.2  Favored     ?   3   4  0.25   5  0.42  molprobity  
399  399  t         -95.4    24.6  Favored     ?   5   6  0.20   8  0.22  molprobity  
400  400  tp        -95.3   -27.3  Favored     ?  11   8  0.21  11  0.42  molprobity  
401  401  p         -75.0   -25.6  Favored     ?   9   7  0.16  10  0.30  molprobity  
402  402  t         -77.5   -13.3  Favored     ?   7   7  0.20  10  0.60  molprobity  
403  403  mt        -84.2     5.5  Favored     ?  11   8  0.20  11  0.30  molprobity  
404  404  m         -66.8   164.2  Favored     ?   7   7  0.21  10  0.52  molprobity  
405  405  m-85      -55.6   -34.9  Favored     ?   9  12  0.35  16  0.28  molprobity  
406  406  ?         -91.3    50.8  Favored     ?   3   4  0.33   5  0.51  molprobity  
407  407  ?         -65.9   -36.0  Favored     ?   3   4  0.09   5  0.23  molprobity  
408  408  ?         -65.2   -23.3  Favored     ?   5   5  0.25   7  0.31  molprobity  
409  409  m-85      -73.5   -28.4  Favored     ?   9  13  0.26  18  0.20  molprobity  
410  410  t         -88.7   -34.9  Favored     ?   9   7  0.17  10  0.34  molprobity  
411  411  t         -65.5   -42.5  Favored     ?   9   7  0.20  10  0.35  molprobity  
412  412  tptp      -67.3   -27.6  Favored     ?  13   9  0.22  11  0.24  molprobity  
413  413  tp        -77.0   -42.6  Favored     ?  11   8  0.22  11  0.25  molprobity  
414  414  mt        -81.3    11.9  Favored     ?  11   8  0.20  11  0.37  molprobity  
415  415  tp10      -96.9   -41.0  Favored     ?   6   9  0.19  12  0.41  molprobity  
416  416  mt-10    -103.3    -6.6  Favored     ?   6   9  0.20  12  0.45  molprobity  
417  417  m-85     -112.8   -33.6  Favored     ?   9  13  0.24  18  0.41  molprobity  
418  418  ?         -79.1   -17.4  Favored     ?   5   5  0.29   7  0.39  molprobity  
419  419  t        -136.9     0.9  Favored     ?   7   7  0.21  10  0.86  molprobity  
420  420  ?         -73.9   -67.7  Allowed     ?   3   4  0.41   6  0.28  molprobity  
421  421  Cg_endo   -87.8   -23.1  Allowed     ?   7   8  0.12  11  0.24  molprobity  
422  422  ?         -68.2   -49.1  Favored     ?   5   5  0.27   7  0.30  molprobity  
423  423  t         -61.0   -39.4  Favored     ?   9   7  0.21  10  0.34  molprobity  
424  424  mm?       -63.3   -47.5  Favored     ?  11   8  0.22  11  0.45  molprobity  
425  425  t         -71.0   -32.8  Favored     ?   7   7  0.20  10  0.45  molprobity  
426  426  t         -64.3   -45.1  Favored     ?   9   7  0.25  10  0.35  molprobity  
427  427  ?         -63.2   -42.7  Favored     ?   5   5  0.22   7  0.30  molprobity  
428  428  tp        -61.9   -44.4  Favored     ?  11   8  0.23  11  0.17  molprobity  
429  429  mt        -63.3   -48.4  Favored     ?  11   8  0.20  11  0.39  molprobity  
430  430  pt-20     -65.7   -36.3  Favored     ?   6   9  0.22  12  0.41  molprobity  
431  431  ?         -68.5   -47.5  Favored     ?   5   5  0.25   7  0.42  molprobity  
432  432  p         -65.1   -32.2  Favored     ?   9   7  0.18  10  0.36  molprobity  
433  433  ?         -65.2   -55.4  Favored     ?   5   5  0.28   7  0.31  molprobity  
434  434  p         -65.3   -19.2  Favored     ?   9   7  0.17  10  0.33  molprobity  
435  435  t         -84.7   -48.8  Favored     ?   5   6  0.22   8  0.29  molprobity  
436  436  m0        -99.3   -51.3  Favored     ?  10  16  0.14  23  0.24  molprobity  
437  437  m-85      -77.1    -1.5  Favored     ?   9  12  0.33  16  0.34  molprobity  
438  438  t80      -123.1   -29.0  Favored     ?   9  13  0.24  18  0.48  molprobity  
439  439  ?         101.4   116.1  Favored     ?   3   4  0.26   5  0.24  molprobity  
440  440  tp        -68.6   -36.5  Favored     ?  11   8  0.19  11  0.28  molprobity  
441  441  p         -66.6   -34.8  Favored     ?   7   7  0.18  10  0.52  molprobity  
442  442  tp-100    -63.8   -45.5  Favored     ?   8   9  0.23  12  0.30  molprobity  
443  443  t80       -65.5   -35.3  Favored     ?   9  12  0.33  16  0.22  molprobity  
444  444  t         -64.6   -47.0  Favored     ?   5   6  0.20   8  0.30  molprobity  
445  445  mtm180    -63.2   -35.4  Favored     ?  13  11  0.19  14  0.27  molprobity  
446  446  m-20      -64.9   -49.0  Favored     ?   4   8  0.18  11  0.35  molprobity  
447  447  p         -68.8   -27.7  Favored     ?   9   7  0.19  10  0.34  molprobity  
448  448  mtpp      -67.9   -50.4  Favored     ?  13   9  0.24  11  0.25  molprobity  
449  449  pp20?     -68.3   -19.3  Favored     ?   6   9  0.30  12  0.45  molprobity  
450  450  ttp       -81.8   -53.6  Favored     ?   9   8  0.23  10  0.37  molprobity  
451  451  mt        -91.8   -56.7  Favored     ?  11   8  0.20  11  0.37  molprobity  
452  452  ?         126.2     6.4  Favored     ?   3   4  0.29   5  0.10  molprobity  
453  453  p90      -148.7   141.1  Favored     ?   9  12  0.32  16  0.34  molprobity  
454  454  t         -85.4   142.9  Favored     ?   5   6  0.19   9  0.28  molprobity  
455  455  Cg_exo    -66.8   165.4  Favored     ?   7   8  0.17  11  0.41  molprobity  
456  456  ?         -69.1   168.8  Favored     ?   3   4  0.34   5  0.73  molprobity  
457  457  t90       -69.3   -21.9  Favored     ?  10  16  0.15  23  0.22  molprobity  
458  458  t80       -67.5   -31.9  Favored     ?   9  12  0.35  16  0.21  molprobity  
459  459  m95       -82.8   -32.9  Favored     ?  10  16  0.15  23  0.21  molprobity  
460  460  mtp-105   -68.7   -40.6  Favored     ?  13  11  0.19  14  0.29  molprobity  
461  461  tp        -75.3   -17.1  Favored     ?  11   8  0.20  11  0.32  molprobity  
462  462  t         -72.6   -59.1  Favored     ?   5   6  0.20   8  0.23  molprobity  
463  463  m0        -61.6   -19.0  Favored     ?  10  16  0.17  23  0.30  molprobity  
464  464  m         -93.0   -39.8  Favored     ?   9   7  0.19  10  0.43  molprobity  
465  465  ?        -127.7   -35.9  Favored     ?   5   5  0.39   7  0.50  molprobity  
466  466  mt        -76.8   -54.6  Favored     ?  11   8  0.18  11  0.29  molprobity  
467  467  t         -64.9   -47.8  Favored     ?   5   6  0.39   9  0.77  molprobity  
468  468  Cg_exo    -62.5   -46.5  Favored     ?   7   8  0.30  11  0.29  molprobity  
469  469  tt        -65.0   -39.2  Favored     ?  11   8  0.25  11  0.95  molprobity  
470  470  t80       -67.1   -41.1  Favored     ?   9  12  0.36  16  0.26  molprobity  
471  471  mt        -67.2   -35.5  Favored     ?  11   8  0.23  11  0.25  molprobity  
472  472  tp        -65.2   -40.2  Favored     ?  11   8  0.21  11  0.26  molprobity  
473  473  t80       -64.9   -38.0  Favored     ?   9  12  0.33  16  0.21  molprobity  
474  474  mm        -64.6   -41.2  Favored     ?  11   8  0.20  11  0.32  molprobity  
475  475  mt        -65.6   -38.9  Favored     ?  11   8  0.22  11  0.32  molprobity  
476  476  m         -63.9   -40.4  Favored     ?   5   6  0.23   8  0.25  molprobity  
477  477  t         -65.6   -36.8  Favored     ?   5   6  0.18   8  0.18  molprobity  
478  478  m-85      -61.1   -47.3  Favored     ?   9  12  0.32  16  0.22  molprobity  
479  479  mt        -71.5   -29.2  Favored     ?  11   8  0.23  11  0.26  molprobity  
480  480  mtm       -90.5     3.7  Favored     ?   9   8  0.23  10  0.46  molprobity  
481  481  p        -127.3    98.6  Favored     ?   5   6  0.39   9  0.36  molprobity  
482  482  Cg_exo    -67.7   133.0  Favored     ?   7   8  0.34  12  0.30  molprobity  
483  483  Cg_exo    -69.2   156.4  Favored     ?   7   8  0.18  11  0.51  molprobity  
484  484  mm-40    -129.4    88.1  Favored     ?   8   9  0.26  12  0.50  molprobity  
485  485  mt        -85.3   138.8  Favored     ?  11   8  0.20  11  0.34  molprobity  
486  486  ttt85    -157.2   115.2  Favored     ?  13  11  0.22  14  0.44  molprobity  
487  487  tp        -92.6  -168.2  Allowed     ?  11   8  0.22  11  0.46  molprobity  
488  488  m-85      -63.0   109.7  Allowed     ?   9  12  0.33  16  0.24  molprobity  
489  489  mt-30      54.3    48.2  Favored     ?   8   9  0.22  12  0.39  molprobity  
490  490  t80      -157.5   137.0  Favored     ?   9  13  0.25  18  0.34  molprobity  
491  491  m-20     -115.5   125.9  Favored     ?   6   8  0.25  11  0.36  molprobity  
492  492  m-85      -69.4   135.9  Favored     ?   9  13  0.25  19  0.25  molprobity  
493  493  Cg_exo    -71.1  -176.8  Favored     ?   7   8  0.19  11  0.32  molprobity  
494  494  t80       -74.2   -32.4  Favored     ?   9  13  0.23  18  0.27  molprobity  
495  495  p-90      -69.9   -15.0  Favored     ?  10  16  0.15  23  0.24  molprobity  
496  496  t         -64.8   -36.9  Favored     ?   5   6  0.21   8  0.26  molprobity  
497  497  mm        -65.4   -41.4  Favored     ?  11   8  0.23  11  0.29  molprobity  
498  498  mm        -65.7   -40.3  Favored     ?  11   8  0.19  11  0.31  molprobity  
499  499  tp        -63.5   -41.3  Favored     ?  11   8  0.27  11  0.45  molprobity  
500  500  ?         -66.5   -37.6  Favored     ?   3   4  0.17   5  0.28  molprobity  
501  501  m-30      -65.5   -38.0  Favored     ?   9  13  0.25  18  0.23  molprobity  
502  502  t         -69.0   -36.1  Favored     ?   5   6  0.19   8  0.23  molprobity  
503  503  mt        -66.7   -43.1  Favored     ?  11   8  0.23  11  0.36  molprobity  
504  504  ?         -76.6    10.4  Favored     ?   3   4  0.38   5  0.59  molprobity  
505  505  m        -110.3   -41.0  Favored     ?   7   7  0.18  10  0.57  molprobity  
506  506  p         -64.8   -23.4  Favored     ?   5   6  0.22   8  0.32  molprobity  
507  507  p         -88.1     6.9  Favored     ?   5   6  0.26   8  0.30  molprobity  
508  508  t80      -130.8   -25.1  Favored     ?   9  12  0.31  16  0.16  molprobity  
509  509  tp        -69.1   -10.2  Favored     ?  11   8  0.18  11  0.45  molprobity  
510  510  m         -69.2   -33.0  Favored     ?   5   6  0.27   8  0.23  molprobity  
511  511  mt        -67.1   -50.6  Favored     ?  11   8  0.26  12  0.55  molprobity  
512  512  Cg_exo    -64.8   -30.9  Favored     ?   7   8  0.29  11  0.30  molprobity  
513  513  m         -61.4   -46.7  Favored     ?   7   7  0.18  10  0.53  molprobity  
514  514  t80       -70.5   -30.7  Favored     ?   9  13  0.24  18  0.22  molprobity  
515  515  mt        -63.5   -45.8  Favored     ?  11   8  0.20  11  0.32  molprobity  
516  516  ?         -69.1   -33.0  Favored     ?   5   5  0.24   7  0.26  molprobity  
517  517  t80       -74.0   -29.2  Favored     ?   9  13  0.24  18  0.26  molprobity  
518  518  tpt180    -70.9   -26.0  Favored     ?  13  11  0.18  14  0.29  molprobity  
519  519  mt        -86.1    11.6  Favored     ?  11   8  0.20  11  0.35  molprobity  
520  520  mm       -113.2   -39.5  Favored     ?  11   8  0.15  11  0.26  molprobity  
521  521  pt        -66.3   -44.0  Favored     ?  11   8  0.21  11  0.28  molprobity  
522  522  p         -80.3   123.4  Favored     ?   7   7  0.29  11  0.61  molprobity  
523  523  Cg_endo   -79.1   178.7  Favored     ?   7   8  0.13  11  0.33  molprobity  
524  524  ?          99.5  -177.0  Favored     ?   3   4  0.26   5  0.76  molprobity  
525  525  t         -73.4   174.3  Favored     ?   7   7  0.18  10  0.63  molprobity  
526  526  m-85      -67.6   -29.8  Favored     ?   9  12  0.34  16  0.23  molprobity  
527  527  mttm      -65.1   -51.2  Favored     ?  13   9  0.24  11  0.29  molprobity  
528  528  pt-20     -66.6   -35.8  Favored     ?   6   9  0.22  12  0.32  molprobity  
529  529  mtt180    -60.8   -44.3  Favored     ?  13  11  0.17  14  0.29  molprobity  
530  530  mt        -67.2   -44.1  Favored     ?  11   8  0.19  11  0.34  molprobity  
531  531  tp        -70.1   -19.7  Favored     ?  11   8  0.21  11  0.38  molprobity  
532  532  ttmm      -86.7   -36.5  Favored     ?  13   9  0.22  11  0.29  molprobity  
533  533  m         -75.4   -27.0  Favored     ?   5   6  0.18   8  0.26  molprobity  
534  534  mm        -77.6   -42.3  Favored     ?  11   8  0.22  11  0.29  molprobity  
535  535  p         -68.0   138.4  Favored     ?   7   7  0.19  11  0.54  molprobity  
536  536  Cg_exo    -69.5   176.3  Favored     ?   7   8  0.23  11  0.30  molprobity  
537  537  mt-10    -103.5   161.2  Favored     ?   6   9  0.20  12  0.41  molprobity  
538  538  p        -116.2   136.6  Favored     ?   7   7  0.27  11  0.74  molprobity  
539  539  Cg_exo        ?       ?  ?           ?   7   7  0.12   8  0.28  molprobity  
540  540  mp0           ?       ?  ?           ?   7   9  0.21  12  0.35  molprobity  
541  541  t        -119.4   104.6  Favored     ?   9   7  0.28  10  0.52  molprobity  
542  542  tp60      -96.3   122.8  Favored     ?   8   9  0.36  12  0.50  molprobity  
543  543  tt       -109.1   108.2  Favored     ?  11   8  0.24  11  0.45  molprobity  
544  544  mm-40     -91.4   161.7  Favored     ?   8   9  0.24  12  0.40  molprobity  
545  545  mt-30    -137.1  -171.1  Favored     ?   8   9  0.22  12  0.50  molprobity  
546  546  p         -91.3  -169.9  Favored     ?   5   6  0.22   8  0.57  molprobity  
547  547  ?        -108.2   177.2  Favored     ?   3   4  0.48   6  0.36  molprobity  
548  548  Cg_exo    -65.5   140.5  Favored     ?   7   8  0.21  11  0.38  molprobity  
549  549  mt-10    -124.2  -175.5  Favored     ?   6   9  0.20  12  0.43  molprobity  
550  550  mm?      -112.8   141.6  Favored     ?  11   8  0.28  11  0.54  molprobity  
551  551  p         -92.6   138.8  Favored     ?   9   7  0.16  10  0.37  molprobity  
552  552  mmtt     -135.6   137.7  Favored     ?  13   9  0.23  11  0.37  molprobity  
553  553  mm?       -70.1   113.2  Favored     ?  11   8  0.29  11  0.67  molprobity  
554  554  ?          95.1    -3.5  Favored     ?   3   4  0.40   5  0.67  molprobity  
555  555  ?         -95.7  -172.8  Favored     ?   5   5  0.31   7  0.59  molprobity  
556  556  p        -141.1   154.0  Favored     ?   5   6  0.30   8  0.47  molprobity  
557  557  m        -121.2   177.8  Favored     ?   9   7  0.20  10  0.30  molprobity  
558  558  ttt85    -148.3   107.0  Favored     ?  13  11  0.22  14  0.44  molprobity  
559  559  mt        -99.0   123.3  Favored     ?  11   8  0.23  11  0.41  molprobity  
560  560  p         -94.8   160.9  Favored     ?   5   6  0.22   8  0.43  molprobity  
561  561  t        -149.3    98.1  Favored     ?   4   6  0.23   8  0.53  molprobity  
562  562  tttp      -92.0   107.7  Favored     ?  13   9  0.26  11  0.34  molprobity  
563  563  ?        -105.5   135.5  Favored     ?   5   5  0.28   7  0.37  molprobity  
564  564  t        -154.4   150.3  Favored     ?   5   6  0.30   8  0.43  molprobity  
565  565  ?         132.8   -33.9  Favored     ?   3   4  0.25   5  0.12  molprobity  
566  566  m-85     -131.2  -171.0  Favored     ?   9  13  0.23  18  0.19  molprobity  
567  567  mtm180    -65.4   124.4  Favored     ?  13  11  0.20  14  0.29  molprobity  
568  568  t80       -75.4   -59.6  Favored     ?   9  12  0.32  16  0.22  molprobity  
569  569  t         -84.8    51.8  Favored     ?   5   6  0.22   8  0.15  molprobity  
570  570  m-85     -138.8    -8.8  Allowed     ?   9  13  0.23  18  0.48  molprobity  
571  571  m        -134.7   151.7  Favored     ?   5   6  0.34   8  0.46  molprobity  
572  572  m95       -71.2   164.7  Favored     ?  10  16  0.18  23  0.31  molprobity  
573  573  mmm      -128.0    95.7  Favored     ?   9   8  0.28  10  0.51  molprobity  
574  574  m-20      -75.1   164.4  Favored     ?   6   8  0.21  11  0.45  molprobity  
575  575  m95      -143.1    95.9  Favored     ?  10  16  0.20  23  0.32  molprobity  
576  576  m         -90.4   162.0  Favored     ?   9   7  0.17  10  0.44  molprobity  
577  577  tttt     -126.8   117.3  Favored     ?  13   9  0.23  11  0.38  molprobity  
578  578  tt0      -108.4   105.0  Favored     ?   8   9  0.23  12  0.41  molprobity  
579  579  mmm180    -72.0   148.8  Favored     ?  13  11  0.20  15  0.30  molprobity  
580  580  Cg_exo    -64.4   114.0  Favored     ?   7   8  0.23  11  0.20  molprobity  
581  581  ?          87.0   -23.2  Favored     ?   3   4  0.42   5  0.53  molprobity  
582  582  mptt      -91.5  -169.7  Favored     ?  13   9  0.28  11  0.46  molprobity  
583  583  ?         -92.7  -176.6  Favored     ?   3   4  0.39   5  0.67  molprobity  
584  584  mt        -73.0   163.4  Favored     ?  11   8  0.22  11  0.41  molprobity  
585  585  tt0      -155.4   133.3  Favored     ?   6   9  0.21  12  0.41  molprobity  
586  586  t90       -87.9   145.8  Favored     ?  10  16  0.16  23  0.23  molprobity  
587  587  mt       -114.8   -59.7  Favored     ?  11   8  0.21  11  0.33  molprobity  
588  588  ?         179.0   153.9  Favored     ?   3   4  0.26   5  0.27  molprobity  
589  589  ptt180   -111.1   160.3  Favored     ?  13  11  0.16  14  0.40  molprobity  
590  590  tt       -147.9   138.2  Favored     ?  11   8  0.16  11  0.39  molprobity  
591  591  t80      -106.7   126.2  Favored     ?   9  13  0.30  19  0.32  molprobity  
592  592  Cg_exo    -63.5   121.0  Favored     ?   7   8  0.19  11  0.25  molprobity  
593  593  ?         131.8     8.9  Favored     ?   3   4  0.21   5  0.37  molprobity  
594  594  m-20       58.9    29.2  Favored     ?   4   8  0.18  11  0.37  molprobity  
595  595  ?         -70.7   -67.6  Allowed     ?   3   4  0.25   5  0.13  molprobity  
596  596  m-20     -142.8   163.2  Favored     ?   4   8  0.12  11  0.48  molprobity  
597  597  m        -145.5   100.3  Favored     ?   7   7  0.21  10  0.69  molprobity  
598  598  mmtt      -95.6   165.3  Favored     ?  13   9  0.24  11  0.41  molprobity  
599  599  m-85     -142.4   177.1  Favored     ?   9  13  0.22  18  0.36  molprobity  
600  600  t         -94.8    10.7  Favored     ?   5   6  0.24   8  0.51  molprobity  
601  601  ?          87.2   -35.3  Favored     ?   3   4  0.12   5  0.27  molprobity  
602  602  mtmm      -90.6   -36.0  Favored     ?  13   9  0.21  11  0.30  molprobity  
603  603  m-85      -93.9    20.7  Favored     ?   9  12  0.37  16  0.36  molprobity  
604  604  ttmm      -72.3   -35.0  Favored     ?  13   9  0.25  11  0.43  molprobity  
605  605  ?        -108.1     1.9  Favored     ?   3   4  0.26   5  0.20  molprobity  
606  606  tmmt?    -107.5   -13.2  Favored     ?  13   9  0.26  11  0.53  molprobity  
607  607  ?        -152.8   143.3  Favored     ?   5   5  0.32   7  0.54  molprobity  
608  608  t        -128.0   157.3  Favored     ?   7   7  0.24  10  0.61  molprobity  
609  609  mt       -123.3   124.5  Favored     ?  11   8  0.20  11  0.37  molprobity  
610  610  p        -120.5   127.6  Favored     ?   7   7  0.24  10  0.56  molprobity  
611  611  ?         -93.2   163.1  Favored     ?   5   5  0.26   7  0.47  molprobity  
612  612  t0       -153.3   102.4  Favored     ?   4   8  0.23  11  0.52  molprobity  
613  613  mtmt      -80.1    -6.9  Favored     ?  13   9  0.22  11  0.41  molprobity  
614  614  t         -80.7   -59.7  Favored     ?   5   6  0.26   8  0.23  molprobity  
615  615  t         -89.5     1.1  Favored     ?   5   6  0.23   8  0.45  molprobity  
616  616  p          53.2    49.1  Favored     ?   5   6  0.30   8  0.55  molprobity  
617  617  p        -122.7   152.4  Favored     ?   7   7  0.24  10  0.62  molprobity  
618  618  t        -126.6   125.4  Favored     ?   9   7  0.20  10  0.42  molprobity  
619  619  m-85     -106.2   159.0  Favored     ?   9  13  0.23  18  0.36  molprobity  
620  620  ttp      -141.3    94.2  Favored     ?   9   8  0.30  10  0.59  molprobity  
621  621  tt0       -87.5   117.3  Favored     ?   8   9  0.25  12  0.30  molprobity  
622  622  mt        -85.2   175.3  Favored     ?  11   8  0.24  11  0.40  molprobity  
623  623  m        -149.0   142.3  Favored     ?   5   6  0.28   8  0.55  molprobity  
624  624  p          50.6    62.8  Favored     ?   5   6  0.28   8  0.59  molprobity  
625  625  tp        -68.4   125.8  Favored     ?  11   8  0.24  11  0.33  molprobity  
626  626  t        -106.9  -176.7  Favored     ?   7   7  0.18  10  0.59  molprobity  
627  627  p         -75.1   -40.1  Favored     ?   5   6  0.21   8  0.22  molprobity  
628  628  pp20?     -77.2    -1.4  Favored     ?   6   9  0.31  12  0.48  molprobity  
629  629  t0        -90.6    25.4  Favored     ?   4   8  0.20  11  0.35  molprobity  
630  630  p        -101.0   100.8  Favored     ?   5   6  0.17   8  0.55  molprobity  
631  631  ?        -148.4  -166.3  Favored     ?   5   5  0.35   7  0.75  molprobity  
632  632  t        -106.7   124.9  Favored     ?   9   7  0.24  10  0.46  molprobity  
633  633  m-85     -111.8   109.3  Favored     ?   9  13  0.25  18  0.32  molprobity  
634  634  m-85      -87.6  -176.1  Favored     ?   9  12  0.35  16  0.32  molprobity  
635  635  t        -144.4    96.7  Favored     ?   4   6  0.22   8  0.54  molprobity  
636  636  ?         -98.8   140.8  Favored     ?   5   5  0.31   7  0.41  molprobity  
637  637  ttm180   -101.4   133.4  Favored     ?  13  11  0.17  14  0.32  molprobity  
638  638  m         -71.5   179.3  Favored     ?   5   6  0.18   8  0.48  molprobity  
639  639  ?         -80.5  -167.6  Allowed     ?   5   5  0.18   7  0.60  molprobity  
640  640  p90       -95.1    31.3  Allowed     ?   9  13  0.27  18  0.40  molprobity  
641  641  ?         124.7  -111.7  Allowed     ?   3   4  0.26   5  0.58  molprobity  
642  642  p         -46.5   -48.5  Favored     ?   5   6  0.22   8  0.54  molprobity  
643  643  mp0       -66.7   -56.4  Favored     ?   6   9  0.24  12  0.40  molprobity  
644  644  ?          70.3    66.8  Favored     ?   3   4  0.24   5  0.20  molprobity  
645  645  p90      -139.6   167.9  Favored     ?   9  12  0.29  16  0.38  molprobity  
646  646  ?         -74.6   127.5  Favored     ?   5   5  0.26   7  0.31  molprobity  
647  647  ttm       -88.0    25.7  Allowed     ?   9   8  0.28  10  0.36  molprobity  
648  648  t0         60.5    40.3  Favored     ?   4   8  0.21  11  0.48  molprobity  
649  649  m-85     -121.3    86.7  Favored     ?   9  13  0.24  18  0.45  molprobity  
650  650  m95      -122.0   155.0  Favored     ?  10  16  0.19  23  0.21  molprobity  
651  651  ?         -90.9   175.6  Favored     ?   3   4  0.34   5  0.69  molprobity  
652  652  pm0       -70.5   -24.0  Favored     ?   8   9  0.23  12  0.45  molprobity  
653  653  ?          99.0   120.5  Favored     ?   3   4  0.25   5  0.17  molprobity  
654  654  p        -101.5    83.6  Favored     ?   7   7  0.15  10  0.72  molprobity  
655  655  p         -76.0   109.5  Favored     ?   5   6  0.20   8  0.30  molprobity  
656  656  m         -76.5   138.3  Favored     ?   9   7  0.23  10  0.35  molprobity  
657  657  t             ?       ?  ?           ?   7   6  0.23   7  0.68  molprobity  
658  658  t0            ?       ?  ?           ?   3   8  0.14  11  0.24  molprobity  
659  659  mt        -73.6   111.7  Favored     ?  11   8  0.24  11  0.38  molprobity  
660  660  p         -85.0   151.2  Favored     ?   9   7  0.17  10  0.40  molprobity  
661  661  tt       -137.8   115.2  Favored     ?  11   8  0.23  11  0.47  molprobity  
662  662  p        -118.5   148.8  Favored     ?   7   7  0.24  10  0.63  molprobity  
663  663  mt-30    -109.4   126.9  Favored     ?   8   9  0.24  12  0.32  molprobity  
664  664  p         -69.4   -38.7  Favored     ?   5   6  0.38   9  0.72  molprobity  
665  665  Cg_endo   -81.0   157.4  Favored     ?   7   8  0.31  11  0.50  molprobity  
666  666  ?        -125.1   -36.4  Favored     ?   5   5  0.40   7  0.39  molprobity  
667  667  m        -157.3   136.8  Favored     ?   5   6  0.35   8  0.47  molprobity  
668  668  mt       -117.5   172.9  Favored     ?  11   8  0.22  11  0.44  molprobity  
669  669  ?        -109.1   130.6  Favored     ?   5   5  0.33   7  0.40  molprobity  
670  670  t         -75.2   113.0  Favored     ?   9   7  0.22  10  0.43  molprobity  
671  671  m        -130.6   127.8  Favored     ?   5   6  0.28   8  0.41  molprobity  
672  672  mm?       -71.1   125.7  Favored     ?  11   8  0.25  11  0.53  molprobity  
673  673  ?          70.8    27.9  Favored     ?   3   4  0.29   5  0.45  molprobity  
674  674  mm-40    -124.9   161.7  Favored     ?   8   9  0.25  12  0.42  molprobity  
675  675  ttp180    -84.2   135.8  Favored     ?  13  11  0.18  14  0.37  molprobity  
676  676  ?        -136.6   107.3  Favored     ?   5   5  0.28   7  0.59  molprobity  
677  677  p         -98.7   144.0  Favored     ?   7   7  0.17  10  0.67  molprobity  
678  678  mt       -133.0   122.8  Favored     ?  11   8  0.22  11  0.52  molprobity  
679  679  p        -124.4   135.4  Favored     ?   5   6  0.32   8  0.37  molprobity  
680  680  p        -128.8   118.7  Favored     ?   4   6  0.19   8  0.56  molprobity  
681  681  ptp85     -79.5   149.8  Favored     ?  13  11  0.18  14  0.48  molprobity  
682  682  ?        -130.2    49.1  Favored     ?   5   5  0.15   7  0.53  molprobity  
683  683  m         -59.5   -35.2  Favored     ?   5   6  0.22   8  0.22  molprobity  
684  684  mp0       -91.2    51.8  Allowed     ?   6   9  0.24  12  0.37  molprobity  
685  685  t        -164.3   169.0  Favored     ?   5   6  0.25   8  0.59  molprobity  
686  686  p        -162.4   150.2  Favored     ?   9   7  0.19  10  0.51  molprobity  
687  687  m-20      -59.1   132.7  Favored     ?   4   8  0.17  11  0.27  molprobity  
688  688  t-20      -92.6   -57.8  Favored     ?   6   8  0.24  11  0.30  molprobity  
689  689  m-85     -133.3    45.8  Favored     ?   9  13  0.26  18  0.33  molprobity  
690  690  ?          85.8   -24.5  Favored     ?   3   4  0.47   5  0.60  molprobity  
691  691  pt       -104.8   139.7  Favored     ?  11   8  0.22  11  0.38  molprobity  
692  692  t         -75.8   116.3  Favored     ?   5   6  0.17   8  0.25  molprobity  
693  693  m-30      -79.0    76.0  Favored     ?   9  12  0.35  16  0.46  molprobity  
694  694  tt       -159.9   141.3  Favored     ?  11   8  0.23  11  0.65  molprobity  
695  695  m-20     -128.7   171.6  Favored     ?   6   8  0.26  11  0.48  molprobity  
696  696  m95      -134.0   133.8  Favored     ?  10  16  0.18  23  0.26  molprobity  
697  697  m-30     -118.0   178.3  Favored     ?   9  12  0.33  16  0.34  molprobity  
698  698  tt0      -150.8   110.4  Favored     ?   8   9  0.25  12  0.46  molprobity  
699  699  tt0      -110.9   103.5  Favored     1   8   9  0.26  12  0.41  molprobity  
700  700  mttt      -79.8   152.9  Favored     ?  13   9  0.28  12  0.28  molprobity  
701  701  Cg_exo    -61.3   116.7  Favored     ?   7   8  0.19  11  0.28  molprobity  
702  702  ?          79.5    22.2  Favored     ?   3   4  0.36   5  0.54  molprobity  
703  703  mm100    -138.7   147.4  Favored     1   8   9  0.24  13  0.39  molprobity  
704  704  Cg_endo   -70.3   150.8  Favored     ?   7   8  0.36  12  0.30  molprobity  
705  705  Cg_exo    -65.5   123.0  Favored     ?   7   8  0.20  11  0.31  molprobity  
706  706  ptpp?    -103.6   161.7  Favored     ?  13   9  0.21  11  0.41  molprobity  
707  707  tp        -73.9   133.6  Favored     ?  11   8  0.21  11  0.22  molprobity  
708  708  tp       -114.2   -58.4  Favored     ?  11   8  0.20  11  0.33  molprobity  
709  709  mt       -145.3   130.0  Favored     ?  11   8  0.18  11  0.46  molprobity  
710  710  p90      -112.1   152.7  Favored     ?   9  13  0.24  18  0.46  molprobity  
711  711  ?          60.5     9.3  Favored     ?   5   5  0.38   7  0.87  molprobity  
712  712  ?          62.1     3.0  Allowed     ?   5   5  0.42   7  0.89  molprobity  
713  713  m        -128.7   -35.9  Allowed     ?   5   6  0.43   8  0.38  molprobity  
714  714  m-80      -95.7   160.8  Favored     ?   6   8  0.23  11  0.40  molprobity  
715  715  mm-40     -97.3   137.1  Favored     1   8   9  0.24  12  0.29  molprobity  
716  716  ?         -69.5   169.5  Favored     ?   3   4  0.34   5  0.73  molprobity  
717  717  t         -72.9   127.9  Favored     ?   5   6  0.18   8  0.29  molprobity  
718  718  ?          71.6    26.3  Favored     ?   3   4  0.34   5  0.46  molprobity  
719  719  t        -109.8   128.8  Favored     ?   9   7  0.23  11  0.49  molprobity  
720  720  Cg_exo    -65.6   163.9  Favored     ?   7   8  0.15  11  0.46  molprobity  
721  721  ?         -77.3     5.7  Favored     ?   5   5  0.31   7  0.44  molprobity  
722  722  mtm-85    -70.8   -23.4  Favored     ?  13  11  0.18  14  0.34  molprobity  
723  723  m-85     -103.3   139.3  Favored     ?   9  12  0.33  16  0.25  molprobity  
724  724  p        -151.8   124.1  Favored     ?   5   6  0.20   8  0.38  molprobity  
725  725  ?         -98.5   139.2  Favored     ?   3   4  0.25   5  0.60  molprobity  
726  726  p        -125.9  -177.6  Favored     ?   5   6  0.24   8  0.42  molprobity  
727  727  ?          83.2   148.8  Favored     ?   3   4  0.26   5  0.16  molprobity  
728  728  m        -146.9   147.5  Favored     ?   5   6  0.32   8  0.46  molprobity  
729  729  ?          94.2   -99.2  Favored     ?   3   4  0.24   5  0.21  molprobity  
730  730  m        -101.8   -54.2  Favored     ?   7   7  0.18  10  0.54  molprobity  
731  731  m-85      -88.3   139.3  Favored     ?   9  13  0.24  18  0.29  molprobity  
732  732  m-85     -142.4   139.4  Favored     ?   9  12  0.35  16  0.31  molprobity  
733  733  m        -132.9   165.3  Favored     ?   5   6  0.33   8  0.55  molprobity  
734  734  tp       -123.2   136.1  Favored     ?  11   8  0.20  11  0.37  molprobity  
735  735  m-20     -105.2   112.3  Favored     ?   6   8  0.25  11  0.41  molprobity  
736  736  mt       -121.1    35.0  Allowed     ?  11   8  0.18  11  0.47  molprobity  
737  737  m80       -44.9   -50.9  Favored     ?   7  11  0.27  16  0.63  molprobity  
738  738  Cg_endo   -90.9    75.2  Allowed     ?   7   8  0.32  11  0.50  molprobity  
739  739  ttp       -96.8   121.0  Favored     ?   9   8  0.24  10  0.35  molprobity  
740  740  mp0      -100.8  -172.7  Favored     ?   6   9  0.34  12  0.53  molprobity  
741  741  pp20?     -76.2    -7.1  Favored     ?   6   9  0.27  12  0.42  molprobity  
742  742  t0        -93.2    11.5  Favored     ?   4   8  0.18  11  0.37  molprobity  
743  743  m-20     -116.0    40.6  Favored     ?   4   8  0.18  11  0.31  molprobity  
744  744  p         -99.8    82.2  Favored     ?   7   7  0.17  10  0.71  molprobity  
745  745  ?        -141.1  -171.2  Favored     ?   5   5  0.37   7  0.80  molprobity  
746  746  t        -117.2   125.3  Favored     ?   9   7  0.25  10  0.45  molprobity  
747  747  m-85     -103.1   131.7  Favored     ?   9  13  0.24  18  0.27  molprobity  
748  748  m-85     -118.5   160.3  Favored     ?   9  12  0.32  16  0.39  molprobity  
749  749  m        -112.2   155.4  Favored     ?   4   6  0.22   8  0.53  molprobity  
750  750  tt0      -154.7   118.4  Favored     ?   8   9  0.25  12  0.37  molprobity  
751  751  pp0?      -96.9   146.5  Favored     ?   8   9  0.23  12  0.40  molprobity  
752  752  p        -125.0    46.0  Favored     ?   7   7  0.16  10  0.60  molprobity  
753  753  tttm     -101.0   107.0  Favored     ?  13   9  0.25  11  0.42  molprobity  
754  754  ?          67.2  -163.3  Favored     ?   3   4  0.39   5  0.73  molprobity  
755  755  m         -89.3    77.9  Allowed     ?   9   7  0.33  10  1.14  molprobity  
756  756  m        -140.9    26.6  Favored     ?   5   6  0.27   8  0.16  molprobity  
757  757  m0        -63.5   111.2  Favored     ?  10  16  0.16  23  0.16  molprobity  
758  758  p        -136.5  -176.6  Favored     ?   7   7  0.23  10  0.62  molprobity  
759  759  m-85     -131.3   167.1  Favored     ?   9  12  0.34  16  0.31  molprobity  
760  760  ?         -81.2  -159.2  Favored     ?   3   4  0.32   5  0.50  molprobity  
761  761  ?         -99.0   -28.2  Favored     ?   3   4  0.30   5  0.26  molprobity  
762  762  ?         113.8   128.8  Favored     ?   3   4  0.24   5  0.27  molprobity  
763  763  p        -129.9    88.7  Favored     ?   7   7  0.20  10  0.62  molprobity  
764  764  ptmt      -85.8   167.0  Favored     ?  13   9  0.24  11  0.39  molprobity  
765  765  m        -126.9   131.3  Favored     ?   9   7  0.19  10  0.40  molprobity  
766  766  tt0      -165.1   130.8  Favored     ?   6   9  0.22  12  0.22  molprobity  
767  767  tt            ?       ?  ?           ?  11   7  0.15   8  0.29  molprobity  
768  768  ?             ?       ?  ?           ?  12  14  0.24  17  0.45  mogul       
769  769  ?             ?       ?  ?           ?  13  14  0.46  17  0.35  mogul       
770  770  ?             ?       ?  ?           ?  26  11  0.30  10  0.84  mogul       
771  771  ?             ?       ?  ?           ?  26  11  0.30  10  0.84  mogul       
772  772  ?             ?       ?  ?           ?  16   6  0.31   5  0.68  mogul       
773  773  ?             ?       ?  ?           ?  16   6  0.30   5  0.67  mogul       
774  774  ?             ?       ?  ?           ?  22   9  0.30   8  0.80  mogul       
775  775  ?             ?       ?  ?           ?  12   4  0.32   3  0.55  mogul       
776  776  ?             ?       ?  ?           ?  20   9  0.30   8  0.79  mogul       
777  777  ?             ?       ?  ?           ?  22   9  0.29   8  0.80  mogul       
778  778  ?             ?       ?  ?           ?  12  12  1.10  12  0.55  mogul       
779  779  ?             ?       ?  ?           ?  12  12  1.10  12  0.52  mogul       
#
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    6  HD3    1  0.42  2.54  
  2   10  CE2    1  0.42  2.54  
  3   10  O      2  0.41  2.21  
  4   14  HG11   3  0.42  2.01  
  5   14  HG22   2  0.41  2.21  
  6   20  H      4  0.61  1.48  
  7   20  HB2    5  0.59  1.85  
  8   23  HD21   4  0.61  1.48  
  9   25  HB2    6  0.64  1.79  
 10   26  HD2    7  0.47  1.80  
 11   29  HE1    7  0.47  1.80  
 12   32  HE1    8  0.44  1.82  
 13   38  HB2    9  0.62  1.80  
 14   40  O     10  0.47  2.15  
 15   43  OH    11  0.66  2.47  
 16   44  HG23  10  0.47  2.15  
 17   52  HB    12  0.45  1.99  
 18   53  HD3   12  0.45  1.99  
 19   59  HD12  13  0.49  1.94  
 20   63  HE21  14  0.58  1.69  
 21   66  HH21  15  0.42  1.83  
 22   68  O     16  0.41  2.21  
 23   72  HG12  16  0.41  2.21  
 24   76  HG22  17  0.46  2.55  
 25   77  SG    17  0.46  2.55  
 26   79  HB    18  0.56  1.88  
 27   80  HE1   19  0.42  1.84  
 28   94  O     20  0.57  2.36  
 29   94  HD13  21  0.45  2.51  
 30   95  O     22  0.52  2.39  
 31   97  CE1   21  0.45  2.51  
 32   98  N     20  0.57  2.36  
 33   99  ND2   22  0.52  2.39  
 34  109  HB2   23  0.49  1.94  
 35  112  HB2   24  0.43  1.82  
 36  112  O     25  0.43  2.33  
 37  112  OG    25  0.43  2.33  
 38  119  HH2   24  0.43  1.82  
 39  121  HB2   26  0.51  1.92  
 40  123  HE2   26  0.51  1.92  
 41  123  H     27  0.42  1.60  
 42  123  HG2   27  0.42  1.60  
 43  127  OD1   28  0.55  2.39  
 44  127  HB3   29  0.46  1.96  
 45  131  SG    30  0.52  2.82  
 46  132  N     30  0.52  2.82  
 47  134  HB3   31  0.48  1.96  
 48  136  O     32  0.40  2.31  
 49  136  OG    32  0.40  2.31  
 50  137  HB2   31  0.48  1.96  
 51  148  OG    33  0.40  2.54  
 52  151  HG2   34  0.51  1.91  
 53  156  NH1   28  0.55  2.39  
 54  156  HB3   29  0.46  1.96  
 55  158  HG13  35  0.40  2.03  
 56  159  HD23  35  0.40  2.03  
 57  170  HB3   36  0.54  1.88  
 58  170  HB2   37  0.45  1.99  
 59  181  HG21  38  0.41  2.03  
 60  193  NE1   39  0.51  2.43  
 61  194  HA    40  0.41  1.77  
 62  194  HD3   40  0.41  1.77  
 63  206  HA    41  0.41  1.85  
 64  209  CG    42  0.44  2.52  
 65  209  HE1   41  0.41  1.85  
 66  210  HD3   42  0.44  2.52  
 67  213  HA    43  0.45  1.98  
 68  216  HG12  43  0.45  1.98  
 69  238  HB3    9  0.62  1.80  
 70  238  OD1   44  0.44  2.50  
 71  240  NE2   44  0.44  2.50  
 72  240  H     45  0.40  1.76  
 73  240  HG3   45  0.40  1.76  
 74  260  N     46  0.44  2.33  
 75  261  HD2   46  0.44  2.33  
 76  274  HD3   14  0.58  1.69  
 77  275  HB2   15  0.42  1.83  
 78  280  OH    47  0.56  2.35  
 79  283  HB2   13  0.49  1.94  
 80  285  HG13   3  0.42  2.01  
 81  307  OH    48  0.42  2.52  
 82  312  NH2   33  0.40  2.54  
 83  317  HA     8  0.44  1.82  
 84  328  HD22   6  0.64  1.79  
 85  330  HD13  34  0.51  1.91  
 86  338  ND2   48  0.42  2.52  
 87  349  O     49  0.41  2.21  
 88  350  HB3   23  0.49  1.94  
 89  352  HG3   49  0.41  2.21  
 90  360  HB2    5  0.59  1.85  
 91  369  HD11  50  0.46  1.98  
 92  385  OE2   39  0.51  2.43  
 93  391  HG11  50  0.46  1.98  
 94  403  HD11  38  0.41  2.03  
 95  404  HG21  36  0.54  1.88  
 96  414  HD21  51  0.45  1.98  
 97  416  HB3   52  0.41  2.02  
 98  459  NE1   47  0.56  2.35  
 99  462  HA    53  0.47  1.96  
100  466  HB    53  0.47  1.96  
101  482  HA    54  0.41  1.92  
102  483  HD3   54  0.41  1.92  
103  483  HG3   55  0.40  2.51  
104  486  NH1   56  0.47  2.41  
105  491  OD1   56  0.47  2.41  
106  511  HB    57  0.45  1.97  
107  512  HD3   57  0.45  1.97  
108  515  HD11  19  0.42  1.84  
109  521  HG13  58  0.50  2.27  
110  522  N     58  0.50  2.27  
111  528  HA    59  0.52  1.91  
112  531  HG22  59  0.52  1.91  
113  533  HB3   18  0.56  1.88  
114  569  O     60  0.47  2.31  
115  569  OG    60  0.47  2.31  
116  569  HA    61  0.46  1.97  
117  573  HG3   62  0.42  2.00  
118  574  N     63  0.41  2.51  
119  579  NH1   64  0.49  2.45  
120  592  HB2   61  0.46  1.97  
121  606  HG2   65  0.42  2.19  
122  618  HG21  62  0.42  2.00  
123  623  O     65  0.42  2.19  
124  628  O     64  0.49  2.45  
125  629  OD2   66  0.41  2.37  
126  633  OH    66  0.41  2.37  
127  636  O     63  0.41  2.51  
128  639  HB2   67  0.49  1.77  
129  645  H     67  0.49  1.77  
130  663  HG2   68  0.46  1.96  
131  664  HB3   69  0.47  1.80  
132  668  HB2   70  0.64  1.78  
133  671  HB2   71  0.45  1.98  
134  674  HB2   71  0.45  1.98  
135  680  HB3   68  0.46  1.96  
136  681  HH12  69  0.47  1.80  
137  700  HB2   72  0.53  1.90  
138  703  HB2   72  0.53  1.90  
139  715  HE22  73  0.45  1.80  
140  724  HA    73  0.45  1.80  
141  737  HB2   74  0.42  2.01  
142  738  HD3   74  0.42  2.01  
143  751  NE2   75  0.60  2.35  
144  751  HE22  76  0.50  1.76  
145  756  O     75  0.60  2.35  
146  756  HB3   76  0.50  1.76  
147  765  HG12  70  0.64  1.78  
148  773  H263  37  0.45  1.99  
149  774  H31   51  0.45  1.98  
150  779  HB2   52  0.41  2.02  
151  779  CG    55  0.40  2.51  
152  780  CL    11  0.66  2.47  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  768  O5  C5  C6  O6   169.50  103.04  6600  14.87   0.19  1.26  
2  769  C4  C5  C6  O6     1.55   83.75  6564  49.81   0.34  0.05  
3  769  O5  C5  C6  O6  -118.90   54.00  6600   8.18   1.03  0.14  
4  769  C8  C7  N2  C2    -0.03  173.80  1167  10.28   1.00  0.34  
5  769  O7  C7  N2  C2   179.94  173.74  1167  10.30   2.24  0.34  
6  778  NZ  CA  CB  CG  -147.41   66.75   126  28.27  20.77  0.00  
7  779  NZ  CA  CB  CG  -148.73   67.23   126  29.46  19.46  0.00  
#
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     0.0   0.171  
  2    2     0.0   0.080  
  3    3     0.0  -0.135  
  4    4     0.0  -0.097  
  5    5     0.0   0.051  
  6    6  0.1111   0.083  
  7    7  0.1111   0.120  
  8    8     0.0   0.106  
  9    9   0.125   0.074  
 10   10  0.4545   0.136  
 11   11   0.625   0.302  
 12   12     0.5   0.080  
 13   13  0.3333   0.236  
 14   14  0.8571   0.402  
 15   15     0.5   0.394  
 16   16     0.0   0.059  
 17   17  0.4167   0.139  
 18   18     0.6   0.245  
 19   19  0.7143   0.269  
 20   20    0.75   0.369  
 21   21     1.0   0.463  
 22   22     1.0   0.536  
 23   23   0.625   0.313  
 24   24  0.8571   0.479  
 25   25  0.8571   0.495  
 26   26  0.8182   0.400  
 27   27  0.9091   0.365  
 28   28  0.8571   0.487  
 29   29  0.9167   0.387  
 30   30    0.75   0.384  
 31   31  0.8333   0.351  
 32   32  0.8333   0.377  
 33   33  0.7778   0.487  
 34   34    0.75   0.461  
 35   35    0.75   0.412  
 36   36    0.75   0.368  
 37   37     0.5   0.275  
 38   38     0.8   0.364  
 39   39  0.8182   0.503  
 40   40     0.5   0.297  
 41   41    0.75   0.204  
 42   42     1.0   0.386  
 43   43  0.8333   0.404  
 44   44  0.5714   0.397  
 45   45    0.75   0.487  
 46   46    0.75   0.432  
 47   47     0.8   0.434  
 48   48   0.625   0.461  
 49   49  0.6364   0.315  
 50   50    0.75   0.395  
 51   51    0.75   0.185  
 52   52    0.75   0.333  
 53   53  0.8571   0.245  
 54   54    0.75   0.281  
 55   55  0.6364   0.356  
 56   56  0.8333   0.326  
 57   57    0.75   0.327  
 58   58  0.7778   0.392  
 59   59   0.625   0.357  
 60   60     0.8   0.301  
 61   61    0.75   0.436  
 62   62    0.75   0.243  
 63   63  0.7778   0.363  
 64   64  0.8333   0.355  
 65   65     0.9   0.464  
 66   66  0.6364   0.444  
 67   67     1.0   0.403  
 68   68     1.0   0.523  
 69   69     1.0   0.497  
 70   70   0.625   0.377  
 71   71  0.8333   0.396  
 72   72   0.875   0.479  
 73   73  0.7143   0.439  
 74   74  0.4545   0.386  
 75   75  0.7778   0.407  
 76   76    0.75   0.279  
 77   77  0.8333   0.424  
 78   78  0.8571   0.439  
 79   79    0.75   0.459  
 80   80  0.9091   0.541  
 81   81  0.6667   0.366  
 82   82    0.75   0.263  
 83   83   0.875   0.492  
 84   84    0.75   0.269  
 85   85  0.8333   0.367  
 86   86     0.8   0.523  
 87   87    0.75   0.465  
 88   88  0.8333   0.509  
 89   89   0.875   0.481  
 90   90   0.875   0.461  
 91   91     0.8   0.460  
 92   92  0.8182   0.377  
 93   93  0.8333   0.428  
 94   94   0.875   0.362  
 95   95     0.8   0.476  
 96   96  0.6667   0.414  
 97   97    0.75   0.328  
 98   98  0.9167   0.461  
 99   99   0.875   0.387  
100  100  0.5714   0.294  
101  101    0.75   0.401  
102  102    0.75   0.406  
103  103     0.8   0.444  
104  104     1.0   0.553  
105  105     0.8   0.519  
106  106    0.75   0.437  
107  107  0.8333   0.395  
108  108  0.9167   0.506  
109  109    0.75   0.464  
110  110    0.75   0.477  
111  111  0.8333   0.500  
112  112     1.0   0.568  
113  113  0.7273   0.336  
114  114  0.7143   0.436  
115  115     0.5   0.407  
116  116  0.5556   0.401  
117  117    0.75   0.394  
118  118     1.0   0.508  
119  119  0.7857   0.421  
120  120     1.0   0.480  
121  121     0.5   0.161  
122  122  0.8333   0.196  
123  123  0.6667   0.225  
124  124    0.25   0.055  
125  125     1.0   0.298  
126  126  0.6429   0.353  
127  127    0.75   0.381  
128  128     1.0   0.465  
129  129     0.5   0.044  
130  130    0.75   0.375  
131  131     1.0   0.530  
132  132  0.8571   0.473  
133  133     1.0   0.373  
134  134  0.4167   0.177  
135  135  0.8182   0.343  
136  136     0.0   0.167  
137  137  0.1111   0.022  
138  138    0.75   0.388  
139  139    0.25   0.059  
140  140   0.875   0.341  
141  141  0.7143   0.382  
142  142  0.9286   0.377  
143  143  0.5714   0.290  
144  144   0.875   0.434  
145  145     0.7   0.446  
146  146  0.8333   0.517  
147  147  0.8571   0.512  
148  148  0.6667   0.384  
149  149  0.8571   0.503  
150  150     0.8   0.537  
151  151  0.7778   0.512  
152  152  0.6667   0.481  
153  153  0.9091   0.459  
154  154    0.75   0.469  
155  155  0.8571   0.435  
156  156  0.9091   0.465  
157  157     0.9   0.493  
158  158  0.7143   0.404  
159  159   0.875   0.450  
160  160  0.7778   0.340  
161  161    0.75   0.422  
162  162     0.9   0.479  
163  163  0.9091   0.584  
164  164  0.8333   0.487  
165  165  0.6667   0.484  
166  166     1.0   0.481  
167  167   0.875   0.470  
168  168  0.7778   0.458  
169  169   0.875   0.407  
170  170   0.625   0.316  
171  171     1.0   0.531  
172  172     1.0   0.393  
173  173    0.75   0.369  
174  174  0.8333   0.494  
175  175  0.9286   0.389  
176  176  0.7778   0.419  
177  177   0.875   0.431  
178  178     0.8   0.499  
179  179    0.75   0.453  
180  180  0.8333   0.495  
181  181    0.75   0.391  
182  182    0.75   0.442  
183  183    0.75   0.321  
184  184    0.75   0.302  
185  185  0.9091   0.494  
186  186  0.5714   0.400  
187  187  0.7143   0.378  
188  188     1.0   0.464  
189  189  0.9167   0.442  
190  190  0.7273   0.459  
191  191  0.8333   0.506  
192  192    0.75   0.460  
193  193  0.7143   0.305  
194  194  0.6667   0.396  
195  195     1.0   0.382  
196  196  0.5714   0.283  
197  197  0.2222   0.173  
198  198     0.0  -0.011  
199  199     0.0   0.071  
200  200     0.0  -0.357  
201  201     0.0   0.184  
202  202     0.0  -0.062  
203  203  0.1429   0.069  
204  204     0.0   0.068  
205  205     0.0  -0.095  
206  206  0.4286   0.144  
207  207     0.4   0.231  
208  208  0.7143   0.438  
209  209  0.7273   0.408  
210  210     1.0   0.385  
211  211     0.5   0.104  
212  212    0.75   0.395  
213  213   0.625   0.224  
214  214    0.75   0.391  
215  215     0.5   0.176  
216  216  0.8571   0.401  
217  217    0.75   0.458  
218  218   0.875   0.434  
219  219  0.7143   0.458  
220  220  0.6364   0.278  
221  221     1.0   0.542  
222  222     0.6   0.173  
223  223  0.7143   0.373  
224  224     1.0   0.467  
225  225  0.5714   0.274  
226  226     1.0   0.227  
227  227     0.8   0.300  
228  228  0.7857   0.382  
229  229  0.9091   0.454  
230  230     1.0   0.550  
231  231  0.7143   0.269  
232  232   0.625   0.357  
233  233  0.8182   0.416  
234  234    0.75   0.349  
235  235   0.625   0.387  
236  236  0.6667   0.423  
237  237  0.7143   0.369  
238  238     1.0   0.408  
239  239  0.8571   0.501  
240  240  0.4444   0.262  
241  241  0.2222  -0.014  
242  242    0.75   0.373  
243  243     0.5   0.238  
244  244  0.3333   0.182  
245  245  0.2857   0.122  
246  246     1.0   0.447  
247  247  0.8571   0.427  
248  248  0.7857   0.386  
249  249   0.625   0.272  
250  250     0.5   0.343  
251  251     0.8   0.419  
252  252     0.8   0.319  
253  253     1.0   0.560  
254  254  0.6667   0.378  
255  255    0.75   0.454  
256  256  0.9091   0.510  
257  257     1.0   0.523  
258  258  0.6667   0.411  
259  259   0.875   0.556  
260  260    0.75   0.398  
261  261  0.5714   0.217  
262  262    0.75   0.534  
263  263     1.0   0.500  
264  264    0.75   0.518  
265  265  0.5714   0.515  
266  266   0.625   0.372  
267  267    0.75   0.484  
268  268     0.6   0.408  
269  269  0.6364   0.313  
270  270     0.8   0.505  
271  271  0.6667   0.370  
272  272  0.9167   0.479  
273  273     0.0  -0.062  
274  274  0.6667   0.306  
275  275  0.8182   0.201  
276  276   0.875   0.303  
277  277   0.125  -0.076  
278  278   0.125   0.153  
279  279  0.6667   0.239  
280  280  0.9167   0.285  
281  281  0.5556   0.309  
282  282    0.75   0.233  
283  283     0.8   0.398  
284  284    0.75   0.478  
285  285  0.5714   0.465  
286  286  0.7143   0.456  
287  287     1.0   0.500  
288  288  0.4286   0.291  
289  289  0.5714   0.425  
290  290    0.75   0.337  
291  291     1.0   0.253  
292  292    0.75   0.320  
293  293  0.7143   0.401  
294  294  0.8333   0.434  
295  295  0.9091   0.522  
296  296  0.8571   0.383  
297  297  0.6667   0.534  
298  298    0.75   0.335  
299  299  0.6364   0.318  
300  300  0.8571   0.441  
301  301   0.875   0.346  
302  302  0.6364   0.237  
303  303     1.0   0.502  
304  304     1.0   0.424  
305  305   0.625   0.385  
306  306    0.75   0.160  
307  307  0.9167   0.395  
308  308     1.0   0.468  
309  309     0.6   0.366  
310  310  0.7778   0.413  
311  311    0.75   0.314  
312  312  0.8182   0.415  
313  313   0.875   0.419  
314  314  0.7778   0.526  
315  315     0.5   0.362  
316  316  0.8571   0.481  
317  317  0.6667   0.363  
318  318  0.4444   0.411  
319  319     1.0   0.510  
320  320     1.0   0.394  
321  321  0.3333   0.126  
322  322   0.375   0.324  
323  323     1.0   0.566  
324  324    0.75   0.358  
325  325     1.0   0.561  
326  326  0.8333   0.431  
327  327    0.75   0.426  
328  328   0.625   0.315  
329  329     1.0   0.550  
330  330   0.875   0.514  
331  331  0.5714   0.414  
332  332    0.75   0.437  
333  333     0.8   0.450  
334  334  0.6667   0.495  
335  335     1.0   0.504  
336  336    0.75   0.447  
337  337     1.0   0.600  
338  338     1.0   0.566  
339  339    0.75   0.390  
340  340  0.8571   0.474  
341  341     0.8   0.321  
342  342     1.0   0.458  
343  343     1.0   0.526  
344  344  0.8182   0.395  
345  345  0.5455   0.342  
346  346     0.6   0.396  
347  347    0.75   0.452  
348  348    0.75   0.497  
349  349  0.9091   0.442  
350  350  0.7273   0.314  
351  351   0.625   0.377  
352  352    0.75   0.349  
353  353     1.0   0.525  
354  354    0.75   0.341  
355  355  0.5714   0.434  
356  356   0.875   0.477  
357  357    0.75   0.277  
358  358    0.75   0.374  
359  359     0.5   0.273  
360  360     1.0   0.472  
361  361  0.8571   0.404  
362  362  0.7273   0.416  
363  363     0.8   0.401  
364  364     1.0   0.407  
365  365    0.75   0.375  
366  366  0.6667   0.384  
367  367    0.75   0.481  
368  368  0.8571   0.507  
369  369   0.625   0.435  
370  370  0.7143   0.308  
371  371     0.8   0.448  
372  372  0.8571   0.373  
373  373   0.875   0.349  
374  374   0.625   0.217  
375  375  0.6667   0.169  
376  376  0.6364   0.298  
377  377  0.8571   0.414  
378  378     0.5   0.261  
379  379  0.8571   0.342  
380  380  0.7857   0.400  
381  381     1.0   0.464  
382  382  0.5556   0.443  
383  383  0.6364   0.371  
384  384  0.8182   0.339  
385  385  0.4444   0.200  
386  386  0.7273   0.437  
387  387  0.8182   0.412  
388  388  0.8571   0.443  
389  389    0.75   0.442  
390  390     0.8   0.441  
391  391  0.8571   0.369  
392  392  0.8571   0.311  
393  393    0.75   0.411  
394  394  0.7143   0.257  
395  395  0.8333   0.473  
396  396  0.8182   0.480  
397  397  0.6364   0.421  
398  398     1.0   0.440  
399  399     1.0   0.569  
400  400    0.75   0.466  
401  401  0.7143   0.453  
402  402  0.8571   0.484  
403  403   0.875   0.408  
404  404  0.8571   0.465  
405  405  0.8182   0.457  
406  406     1.0   0.558  
407  407    0.75   0.518  
408  408     0.6   0.349  
409  409  0.9167   0.419  
410  410  0.8571   0.488  
411  411  0.8571   0.465  
412  412  0.8889   0.478  
413  413   0.875   0.449  
414  414   0.875   0.498  
415  415  0.6667   0.370  
416  416  0.5556   0.324  
417  417  0.9167   0.466  
418  418     0.6   0.399  
419  419  0.7143   0.322  
420  420    0.75   0.423  
421  421     1.0   0.458  
422  422     0.8   0.377  
423  423  0.7143   0.352  
424  424    0.75   0.404  
425  425  0.5714   0.298  
426  426  0.8571   0.426  
427  427     0.8   0.435  
428  428    0.75   0.404  
429  429    0.75   0.510  
430  430  0.7778   0.418  
431  431     0.8   0.371  
432  432  0.7143   0.345  
433  433     0.8   0.345  
434  434  0.7143   0.427  
435  435  0.6667   0.363  
436  436  0.7857   0.242  
437  437  0.9091   0.481  
438  438  0.9167   0.443  
439  439     1.0   0.406  
440  440    0.75   0.393  
441  441  0.8571   0.389  
442  442  0.5556   0.276  
443  443     1.0   0.430  
444  444  0.8333   0.252  
445  445  0.6364   0.414  
446  446     0.5   0.140  
447  447     1.0   0.497  
448  448  0.4444   0.305  
449  449  0.3333   0.234  
450  450    0.75   0.369  
451  451    0.75   0.362  
452  452     0.5   0.166  
453  453  0.5455   0.270  
454  454     0.5   0.286  
455  455     1.0   0.455  
456  456     0.5   0.364  
457  457     0.5   0.327  
458  458  0.9091   0.405  
459  459  0.8571   0.401  
460  460  0.8182   0.406  
461  461    0.75   0.247  
462  462     1.0   0.386  
463  463  0.9286   0.520  
464  464  0.5714   0.299  
465  465     0.6   0.241  
466  466    0.75   0.354  
467  467     1.0   0.441  
468  468  0.4286   0.227  
469  469     0.5   0.316  
470  470  0.8182   0.483  
471  471   0.875   0.309  
472  472   0.625   0.379  
473  473  0.8182   0.430  
474  474   0.875   0.311  
475  475    0.75   0.449  
476  476     0.5   0.277  
477  477  0.8333   0.534  
478  478  0.8182   0.393  
479  479    0.75   0.350  
480  480    0.75   0.363  
481  481     0.5   0.255  
482  482     1.0   0.457  
483  483  0.7143   0.454  
484  484  0.6667   0.345  
485  485   0.875   0.537  
486  486  0.6364   0.451  
487  487    0.75   0.353  
488  488  0.4545   0.284  
489  489  0.4444   0.377  
490  490  0.9167   0.400  
491  491    0.75   0.432  
492  492     1.0   0.524  
493  493  0.8571   0.510  
494  494  0.5833   0.346  
495  495  0.7857   0.434  
496  496  0.8333   0.441  
497  497   0.875   0.434  
498  498   0.625   0.346  
499  499   0.875   0.459  
500  500    0.75   0.314  
501  501    0.75   0.414  
502  502  0.6667   0.324  
503  503    0.75   0.358  
504  504     1.0   0.527  
505  505  0.5714   0.404  
506  506  0.8333   0.457  
507  507  0.6667   0.373  
508  508  0.8182   0.377  
509  509    0.75   0.424  
510  510  0.8333   0.389  
511  511   0.875   0.417  
512  512  0.8571   0.368  
513  513  0.5714   0.410  
514  514  0.9167   0.514  
515  515    0.75   0.474  
516  516     0.4   0.212  
517  517    0.75   0.410  
518  518  0.8182   0.506  
519  519   0.875   0.462  
520  520   0.625   0.385  
521  521   0.375   0.213  
522  522  0.7143   0.428  
523  523  0.5714   0.413  
524  524    0.75   0.311  
525  525  0.8571   0.266  
526  526  0.3636   0.155  
527  527  0.4444   0.179  
528  528  0.5556   0.263  
529  529  0.9091   0.390  
530  530    0.75   0.466  
531  531   0.375   0.315  
532  532  0.6667   0.454  
533  533  0.6667   0.402  
534  534   0.875   0.396  
535  535  0.7143   0.441  
536  536     1.0   0.540  
537  537  0.8889   0.512  
538  538  0.7143   0.473  
539  539  0.4286   0.489  
540  540  0.4444   0.392  
541  541     1.0   0.318  
542  542  0.5556   0.073  
543  543    0.75   0.403  
544  544  0.5556   0.321  
545  545  0.8889   0.314  
546  546  0.6667   0.419  
547  547    0.75   0.390  
548  548  0.8571   0.451  
549  549  0.7778   0.473  
550  550    0.75   0.398  
551  551  0.7143   0.074  
552  552  0.6667   0.323  
553  553   0.875   0.452  
554  554    0.75   0.456  
555  555     0.8   0.381  
556  556  0.8333   0.427  
557  557  0.8571   0.523  
558  558  0.8182   0.347  
559  559    0.75   0.514  
560  560     0.5   0.429  
561  561     1.0   0.560  
562  562  0.7778   0.490  
563  563     0.8   0.468  
564  564  0.8333   0.476  
565  565    0.75   0.389  
566  566  0.3333   0.214  
567  567  0.9091   0.385  
568  568     1.0   0.502  
569  569  0.8333   0.517  
570  570  0.8333   0.420  
571  571     1.0   0.589  
572  572  0.9286   0.488  
573  573    0.75   0.435  
574  574    0.75   0.308  
575  575  0.9286   0.540  
576  576  0.7143   0.437  
577  577  0.8889   0.453  
578  578  0.5556   0.389  
579  579  0.7273   0.395  
580  580     1.0   0.439  
581  581    0.75   0.421  
582  582  0.7778   0.405  
583  583     1.0   0.434  
584  584   0.875   0.548  
585  585  0.7778   0.420  
586  586  0.8571   0.451  
587  587    0.75   0.423  
588  588    0.75   0.474  
589  589  0.7273   0.452  
590  590   0.875   0.453  
591  591  0.8333   0.372  
592  592     1.0   0.525  
593  593     1.0   0.270  
594  594   0.375  -0.006  
595  595    0.25  -0.015  
596  596   0.625   0.299  
597  597  0.8571   0.457  
598  598  0.5556   0.401  
599  599  0.9167   0.464  
600  600  0.8333   0.432  
601  601    0.75   0.350  
602  602  0.8889   0.419  
603  603  0.8182   0.437  
604  604  0.5556   0.329  
605  605     1.0   0.370  
606  606  0.6667   0.369  
607  607     1.0   0.418  
608  608  0.7143   0.414  
609  609     1.0   0.525  
610  610     1.0   0.543  
611  611     1.0   0.523  
612  612    0.75   0.404  
613  613  0.8889   0.540  
614  614  0.8333   0.407  
615  615  0.8333   0.546  
616  616  0.8333   0.416  
617  617  0.8571   0.445  
618  618  0.8571   0.475  
619  619  0.9167   0.483  
620  620   0.875   0.417  
621  621  0.7778   0.430  
622  622    0.75   0.513  
623  623  0.6667   0.437  
624  624  0.8333   0.395  
625  625   0.625   0.313  
626  626  0.7143   0.343  
627  627     0.5   0.314  
628  628  0.6667   0.278  
629  629    0.75   0.513  
630  630  0.6667   0.430  
631  631     0.8   0.464  
632  632  0.7143   0.412  
633  633     1.0   0.548  
634  634  0.8182   0.497  
635  635  0.8333   0.438  
636  636     0.8   0.510  
637  637     1.0   0.544  
638  638     1.0   0.484  
639  639     0.8   0.311  
640  640  0.4167   0.129  
641  641    0.75   0.327  
642  642  0.6667   0.361  
643  643  0.7778   0.362  
644  644     0.5   0.169  
645  645  0.3636  -0.042  
646  646     0.8   0.396  
647  647    0.75   0.166  
648  648   0.125   0.007  
649  649  0.6667   0.191  
650  650  0.9286   0.459  
651  651     1.0   0.514  
652  652  0.7778   0.410  
653  653    0.75   0.435  
654  654  0.8571   0.441  
655  655     0.5   0.378  
656  656     1.0   0.389  
657  657  0.2857  -0.069  
658  658     0.5   0.420  
659  659    0.75   0.447  
660  660  0.7143   0.513  
661  661    0.75   0.466  
662  662  0.8571   0.510  
663  663  0.8889   0.530  
664  664  0.6667   0.163  
665  665  0.8571   0.405  
666  666     0.8   0.277  
667  667     1.0   0.529  
668  668    0.75   0.339  
669  669     1.0   0.496  
670  670  0.2857  -0.036  
671  671  0.8333   0.403  
672  672    0.75   0.332  
673  673    0.75   0.273  
674  674  0.5556   0.402  
675  675  0.5455   0.366  
676  676     1.0   0.541  
677  677  0.8571   0.400  
678  678    0.75   0.360  
679  679  0.8333   0.461  
680  680  0.6667   0.452  
681  681  0.5455   0.404  
682  682     0.6   0.218  
683  683     0.0  -0.423  
684  684  0.7778   0.303  
685  685  0.8333   0.344  
686  686  0.1429   0.086  
687  687    0.25   0.088  
688  688   0.875   0.428  
689  689     1.0   0.486  
690  690     1.0   0.458  
691  691   0.875   0.413  
692  692  0.8333   0.359  
693  693     1.0   0.535  
694  694    0.75   0.396  
695  695   0.875   0.468  
696  696  0.7857   0.293  
697  697     1.0   0.471  
698  698  0.6667   0.373  
699  699  0.8889   0.532  
700  700  0.5556   0.439  
701  701     1.0   0.509  
702  702    0.75   0.411  
703  703  0.6667   0.444  
704  704  0.8571   0.443  
705  705  0.8571   0.448  
706  706  0.7778   0.503  
707  707    0.75   0.233  
708  708    0.75   0.367  
709  709    0.75   0.390  
710  710    0.75   0.407  
711  711     1.0   0.437  
712  712     1.0   0.506  
713  713     0.5   0.340  
714  714   0.875   0.343  
715  715  0.8889   0.503  
716  716    0.75   0.399  
717  717  0.6667   0.390  
718  718     1.0   0.471  
719  719  0.8571   0.360  
720  720  0.8571   0.239  
721  721     0.6   0.166  
722  722  0.6364   0.410  
723  723  0.8182   0.470  
724  724  0.6667   0.329  
725  725     1.0   0.459  
726  726  0.6667   0.269  
727  727     1.0   0.529  
728  728  0.6667   0.357  
729  729     1.0   0.565  
730  730  0.8571   0.251  
731  731  0.5833   0.307  
732  732     1.0   0.402  
733  733     0.5   0.201  
734  734   0.875   0.429  
735  735   0.375   0.208  
736  736     1.0   0.488  
737  737     0.9   0.315  
738  738  0.7143   0.308  
739  739    0.75   0.366  
740  740  0.5556   0.313  
741  741  0.4444   0.365  
742  742   0.375   0.304  
743  743     1.0   0.476  
744  744  0.5714   0.330  
745  745     0.6   0.284  
746  746  0.8571   0.352  
747  747  0.9167   0.435  
748  748  0.8182   0.507  
749  749     1.0   0.488  
750  750  0.7778   0.473  
751  751  0.8889   0.418  
752  752  0.7143   0.355  
753  753  0.7778   0.467  
754  754    0.75   0.216  
755  755  0.8571   0.383  
756  756  0.3333  -0.154  
757  757  0.8571   0.444  
758  758  0.8571   0.449  
759  759     1.0   0.517  
760  760     1.0   0.511  
761  761    0.75   0.502  
762  762     1.0   0.431  
763  763  0.7143   0.300  
764  764  0.6667   0.456  
765  765  0.8571   0.287  
766  766  0.4444   0.122  
767  767   0.625   0.149  
768  768  0.5714   0.299  
769  769  0.2857   0.257  
770  770     1.0   0.566  
771  771  0.9167   0.519  
772  772     1.0   0.602  
773  773  0.8571   0.493  
774  774     0.9   0.569  
775  775     0.8   0.358  
776  776     1.0   0.456  
777  777     0.9   0.573  
778  778  0.8462   0.469  
779  779  0.5385   0.356  
780  780     1.0   0.450  
#
_pdbx_vrpt_em_details.ordinal                    1
_pdbx_vrpt_em_details.recommended_contour_level  0.28
#
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    -1.4821984768               0.0  
  2  d_dvd    -1.4530685774               0.0  
  3  d_dvd     -1.423938678               0.0  
  4  d_dvd    -1.3948087786               0.0  
  5  d_dvd    -1.3656788792               0.0  
  6  d_dvd    -1.3365489798               0.0  
  7  d_dvd    -1.3074190804               0.0  
  8  d_dvd     -1.278289181               0.0  
  9  d_dvd    -1.2491592816               0.0  
 10  d_dvd    -1.2200293823      0.3010299957  
 11  d_dvd    -1.1908994829      0.6989700043  
 12  d_dvd    -1.1617695835      0.7781512504  
 13  d_dvd    -1.1326396841        0.84509804  
 14  d_dvd    -1.1035097847      1.1760912591  
 15  d_dvd    -1.0743798853      0.9542425094  
 16  d_dvd    -1.0452499859      1.2041199827  
 17  d_dvd    -1.0161200865      1.3424226808  
 18  d_dvd    -0.9869901871      1.5440680444  
 19  d_dvd    -0.9578602877      1.5682017241  
 20  d_dvd    -0.9287303883      1.8325089127  
 21  d_dvd    -0.8996004889      1.9590413923  
 22  d_dvd    -0.8704705895      1.9912260757  
 23  d_dvd    -0.8413406901      2.0492180227  
 24  d_dvd    -0.8122107908      2.1172712957  
 25  d_dvd    -0.7830808914      2.3096301674  
 26  d_dvd     -0.753950992      2.3344537512  
 27  d_dvd    -0.7248210926       2.469822016  
 28  d_dvd    -0.6956911932      2.5526682161  
 29  d_dvd    -0.6665612938      2.6893088591  
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373  d_ve     -0.2104963064  32935.1547517782  
374  d_ve     -0.1815939844  32931.8852291925  
375  d_ve     -0.1526916623  32927.4803841971  
376  d_ve     -0.1237893403  32920.7693672866  
377  d_ve     -0.0948870182  32905.4937458579  
378  d_ve     -0.0659846961   32840.208330775  
379  d_ve     -0.0370823741  32329.6010673843  
380  d_ve      -0.008180052  27646.7323476563  
381  d_ve        0.02072227   1163.9114240993  
382  d_ve      0.0496245921    342.8925971098  
383  d_ve      0.0785269141    266.1998949583  
384  d_ve      0.1074292362    220.9327111526  
385  d_ve      0.1363315582    181.6587939448  
386  d_ve      0.1652338803    147.0893850624  
387  d_ve      0.1941362023    116.7229860802  
388  d_ve      0.2230385244     91.6012102568  
389  d_ve      0.2519408464     73.0092116668  
390  d_ve      0.2808431685     60.1535518369  
391  d_ve      0.3097454906      51.355189326  
392  d_ve      0.3386478126     44.7260392014  
393  d_ve      0.3675501347     39.5607084015  
394  d_ve      0.3964524567     35.2850996532  
395  d_ve      0.4253547788      31.625293899  
396  d_ve      0.4542571008     28.4752247369  
397  d_ve      0.4831594229     25.7494211828  
398  d_ve      0.5120617449     23.3613824816  
399  d_ve       0.540964067     21.1947445225  
400  d_ve       0.569866389     19.2340607419  
401  d_ve      0.5987687111     17.4849948799  
402  d_ve      0.6276710331     15.8486889308  
403  d_ve      0.6565733552      14.367363501  
404  d_ve      0.6854756773     13.0085808075  
405  d_ve      0.7143779993     11.7517454324  
406  d_ve      0.7432803214     10.5742024161  
407  d_ve      0.7721826434      9.4811006131  
408  d_ve      0.8010849655      8.4667762833  
409  d_ve      0.8299872875      7.5780840026  
410  d_ve      0.8588896096      6.7805264458  
411  d_ve      0.8877919316      6.0426956009  
412  d_ve      0.9166942537      5.4001185636  
413  d_ve      0.9455965757      4.7693838915  
414  d_ve      0.9744988978      4.1834442534  
415  d_ve      1.0034012198      3.6747374321  
416  d_ve      1.0323035419      3.2164893847  
417  d_ve       1.061205864      2.8195127054  
418  d_ve       1.090108186      2.4699054872  
419  d_ve      1.1190105081      2.1378043741  
420  d_ve      1.1479128301      1.8530727222  
421  d_ve      1.1768151522      1.6038681661  
422  d_ve      1.2057174742      1.3773185696  
423  d_ve      1.2346197963      1.1749685891  
424  d_ve      1.2635221183      0.9911544846  
425  d_ve      1.2924244404      0.8454419033  
426  d_ve      1.3213267624      0.6997293219  
427  d_ve      1.3502290845      0.5931480344  
428  d_ve      1.3791314065       0.495834685  
429  d_ve      1.4080337286      0.4180869826  
430  d_ve      1.4369360507      0.3583602708  
431  d_ve      1.4658383727      0.2878209646  
432  d_ve      1.4947406948      0.2399366181  
433  d_ve      1.5236430168      0.1982308969  
434  d_ve      1.5525453389      0.1601293739  
435  d_ve      1.5814476609      0.1251171635  
436  d_ve       1.610349983      0.0978282348  
437  d_ve       1.639252305      0.0782625879  
438  d_ve      1.6681546271      0.0581820555  
439  d_ve      1.6970569491      0.0473694611  
440  d_ve      1.7259592712      0.0375866376  
441  d_ve      1.7548615932      0.0278038141  
442  d_ve      1.7837639153       0.019565647  
443  d_ve      1.8126662374       0.014931678  
444  d_ve      1.8415685594      0.0123572507  
445  d_ve      1.8704708815      0.0082381671  
446  d_ve      1.8993732035      0.0051488545  
447  d_ve      1.9282755256      0.0041190836  
448  d_ve      1.9571778476      0.0036041981  
449  d_ve      1.9860801697      0.0030893127  
450  d_ve      2.0149824917      0.0030893127  
451  d_ve      2.0438848138      0.0015446563  
452  d_ve      2.0727871358      0.0005148854  
453  d_ve      2.1016894579      0.0005148854  
454  d_ve      2.1305917799      0.0005148854  
455  d_ve       2.159494102      0.0005148854  
456  d_ve      2.1883964241      0.0005148854  
457  d_ve      2.2172987461               0.0  
458  d_ai_aa      -1.482198               1.0  
459  d_ai_aa      -1.453296               1.0  
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462  d_ai_aa      -1.366589               1.0  
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465  d_ai_aa      -1.279882               1.0  
466  d_ai_aa       -1.25098               1.0  
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488  d_ai_aa      -0.615129               1.0  
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491  d_ai_aa      -0.528422               1.0  
492  d_ai_aa       -0.49952          0.999835  
493  d_ai_aa      -0.470617          0.999835  
494  d_ai_aa      -0.441715          0.999835  
495  d_ai_aa      -0.412813           0.99967  
496  d_ai_aa       -0.38391          0.999174  
497  d_ai_aa      -0.355008          0.998844  
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499  d_ai_aa      -0.297203          0.996531  
500  d_ai_aa      -0.268301          0.995705  
501  d_ai_aa      -0.239399          0.994879  
502  d_ai_aa      -0.210496          0.993392  
503  d_ai_aa      -0.181594          0.991905  
504  d_ai_aa      -0.152692          0.988435  
505  d_ai_aa      -0.123789          0.984801  
506  d_ai_aa      -0.094887          0.981332  
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509  d_ai_aa       -0.00818          0.965637  
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512  d_ai_aa       0.078527          0.929291  
513  d_ai_aa       0.107429          0.909797  
514  d_ai_aa       0.136332          0.889642  
515  d_ai_aa       0.165234           0.86486  
516  d_ai_aa       0.194136           0.83281  
517  d_ai_aa       0.223039          0.802247  
518  d_ai_aa           0.28          0.743268  
519  d_ai_aa       0.280843          0.741781  
520  d_ai_aa       0.309745          0.712374  
521  d_ai_aa       0.338648          0.681811  
522  d_ai_aa        0.36755          0.652899  
523  d_ai_aa       0.396452          0.620849  
524  d_ai_aa       0.425355          0.588138  
525  d_ai_aa       0.454257          0.558236  
526  d_ai_aa       0.483159          0.525359  
527  d_ai_aa       0.512062           0.49397  
528  d_ai_aa       0.540964          0.461424  
529  d_ai_aa       0.569866          0.430861  
530  d_ai_aa       0.598769          0.400958  
531  d_ai_aa       0.627671          0.373534  
532  d_ai_aa       0.656573          0.347101  
533  d_ai_aa       0.685476          0.320502  
534  d_ai_aa       0.714378          0.297208  
535  d_ai_aa        0.74328          0.274575  
536  d_ai_aa       0.772183          0.252437  
537  d_ai_aa       0.801085          0.232116  
538  d_ai_aa       0.829987          0.207335  
539  d_ai_aa        0.85889          0.188502  
540  d_ai_aa       0.887792          0.167025  
541  d_ai_aa       0.916694          0.145878  
542  d_ai_aa       0.945597          0.128862  
543  d_ai_aa       0.974499          0.111845  
544  d_ai_aa       1.003401          0.096977  
545  d_ai_aa       1.032304          0.085577  
546  d_ai_aa       1.061206          0.073517  
547  d_ai_aa       1.090108          0.063109  
548  d_ai_aa       1.119011          0.055675  
549  d_ai_aa       1.147913          0.048736  
550  d_ai_aa       1.176815          0.041302  
551  d_ai_aa       1.205717           0.03552  
552  d_ai_aa        1.23462          0.029242  
553  d_ai_aa       1.263522          0.026103  
554  d_ai_aa       1.292424          0.021312  
555  d_ai_aa       1.321327          0.018008  
556  d_ai_aa       1.350229          0.014538  
557  d_ai_aa       1.379131           0.01206  
558  d_ai_aa       1.408034          0.010243  
559  d_ai_aa       1.436936          0.008095  
560  d_ai_aa       1.465838          0.006278  
561  d_ai_aa       1.494741          0.004791  
562  d_ai_aa       1.523643            0.0038  
563  d_ai_aa       1.552545          0.002148  
564  d_ai_aa       1.581448          0.001817  
565  d_ai_aa        1.61035          0.000991  
566  d_ai_aa       1.639252          0.000991  
567  d_ai_aa       1.668155          0.000661  
568  d_ai_aa       1.697057          0.000661  
569  d_ai_aa       1.725959          0.000496  
570  d_ai_aa       1.754862           0.00033  
571  d_ai_aa       1.783764          0.000165  
572  d_ai_aa       1.812666          0.000165  
573  d_ai_aa       1.841569          0.000165  
574  d_ai_aa       1.870471          0.000165  
575  d_ai_aa       1.899373          0.000165  
576  d_ai_aa       1.928276          0.000165  
577  d_ai_aa       1.957178          0.000165  
578  d_ai_aa        1.98608          0.000165  
579  d_ai_aa       2.014982          0.000165  
580  d_ai_aa       2.043885               0.0  
581  d_ai_aa       2.072787               0.0  
582  d_ai_aa       2.101689               0.0  
583  d_ai_aa       2.130592               0.0  
584  d_ai_aa       2.159494               0.0  
585  d_ai_aa       2.188396               0.0  
586  d_ai_aa       2.217299               0.0  
587  d_ai_bb      -1.482198               1.0  
588  d_ai_bb      -1.453296               1.0  
589  d_ai_bb      -1.424394               1.0  
590  d_ai_bb      -1.395492               1.0  
591  d_ai_bb      -1.366589               1.0  
592  d_ai_bb      -1.337687               1.0  
593  d_ai_bb      -1.308785               1.0  
594  d_ai_bb      -1.279882               1.0  
595  d_ai_bb       -1.25098               1.0  
596  d_ai_bb      -1.222078               1.0  
597  d_ai_bb      -1.193175               1.0  
598  d_ai_bb      -1.164273               1.0  
599  d_ai_bb      -1.135371               1.0  
600  d_ai_bb      -1.106468               1.0  
601  d_ai_bb      -1.077566               1.0  
602  d_ai_bb      -1.048664               1.0  
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604  d_ai_bb      -0.990859               1.0  
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606  d_ai_bb      -0.933054               1.0  
607  d_ai_bb      -0.904152               1.0  
608  d_ai_bb       -0.87525               1.0  
609  d_ai_bb      -0.846347               1.0  
610  d_ai_bb      -0.817445               1.0  
611  d_ai_bb      -0.788543               1.0  
612  d_ai_bb       -0.75964               1.0  
613  d_ai_bb      -0.730738               1.0  
614  d_ai_bb      -0.701836               1.0  
615  d_ai_bb      -0.672933               1.0  
616  d_ai_bb      -0.644031               1.0  
617  d_ai_bb      -0.615129               1.0  
618  d_ai_bb      -0.586226               1.0  
619  d_ai_bb      -0.557324               1.0  
620  d_ai_bb      -0.528422               1.0  
621  d_ai_bb       -0.49952          0.999674  
622  d_ai_bb      -0.470617          0.999674  
623  d_ai_bb      -0.441715          0.999674  
624  d_ai_bb      -0.412813          0.999674  
625  d_ai_bb       -0.38391          0.999023  
626  d_ai_bb      -0.355008          0.998697  
627  d_ai_bb      -0.326106          0.998046  
628  d_ai_bb      -0.297203          0.995765  
629  d_ai_bb      -0.268301          0.994788  
630  d_ai_bb      -0.239399          0.994137  
631  d_ai_bb      -0.210496          0.991857  
632  d_ai_bb      -0.181594          0.990228  
633  d_ai_bb      -0.152692          0.986319  
634  d_ai_bb      -0.123789           0.98241  
635  d_ai_bb      -0.094887          0.978827  
636  d_ai_bb      -0.065985          0.974919  
637  d_ai_bb      -0.037082          0.971661  
638  d_ai_bb       -0.00818          0.964495  
639  d_ai_bb       0.020722          0.957655  
640  d_ai_bb       0.049625          0.948208  
641  d_ai_bb       0.078527          0.935179  
642  d_ai_bb       0.107429          0.922801  
643  d_ai_bb       0.136332          0.909446  
644  d_ai_bb       0.165234          0.894463  
645  d_ai_bb       0.194136          0.872313  
646  d_ai_bb       0.223039          0.846906  
647  d_ai_bb           0.28          0.809121  
648  d_ai_bb       0.280843          0.808795  
649  d_ai_bb       0.309745          0.789902  
650  d_ai_bb       0.338648          0.767427  
651  d_ai_bb        0.36755          0.750489  
652  d_ai_bb       0.396452          0.725407  
653  d_ai_bb       0.425355          0.701954  
654  d_ai_bb       0.454257           0.67557  
655  d_ai_bb       0.483159          0.647231  
656  d_ai_bb       0.512062          0.617915  
657  d_ai_bb       0.540964          0.585668  
658  d_ai_bb       0.569866          0.554723  
659  d_ai_bb       0.598769          0.525733  
660  d_ai_bb       0.627671          0.495765  
661  d_ai_bb       0.656573          0.465472  
662  d_ai_bb       0.685476          0.433225  
663  d_ai_bb       0.714378          0.403257  
664  d_ai_bb        0.74328          0.374593  
665  d_ai_bb       0.772183          0.346254  
666  d_ai_bb       0.801085          0.318567  
667  d_ai_bb       0.829987          0.284691  
668  d_ai_bb        0.85889          0.262215  
669  d_ai_bb       0.887792          0.232899  
670  d_ai_bb       0.916694          0.203257  
671  d_ai_bb       0.945597          0.178502  
672  d_ai_bb       0.974499          0.152769  
673  d_ai_bb       1.003401          0.132899  
674  d_ai_bb       1.032304          0.118567  
675  d_ai_bb       1.061206          0.101303  
676  d_ai_bb       1.090108          0.087296  
677  d_ai_bb       1.119011           0.07785  
678  d_ai_bb       1.147913          0.067427  
679  d_ai_bb       1.176815          0.057655  
680  d_ai_bb       1.205717          0.048208  
681  d_ai_bb        1.23462          0.038762  
682  d_ai_bb       1.263522          0.034202  
683  d_ai_bb       1.292424          0.027687  
684  d_ai_bb       1.321327          0.023779  
685  d_ai_bb       1.350229          0.020195  
686  d_ai_bb       1.379131          0.016612  
687  d_ai_bb       1.408034          0.014332  
688  d_ai_bb       1.436936          0.011401  
689  d_ai_bb       1.465838          0.008469  
690  d_ai_bb       1.494741          0.006515  
691  d_ai_bb       1.523643          0.004886  
692  d_ai_bb       1.552545          0.002932  
693  d_ai_bb       1.581448           0.00228  
694  d_ai_bb        1.61035          0.001303  
695  d_ai_bb       1.639252          0.001303  
696  d_ai_bb       1.668155          0.000977  
697  d_ai_bb       1.697057          0.000977  
698  d_ai_bb       1.725959          0.000651  
699  d_ai_bb       1.754862          0.000326  
700  d_ai_bb       1.783764               0.0  
701  d_ai_bb       1.812666               0.0  
702  d_ai_bb       1.841569               0.0  
703  d_ai_bb       1.870471               0.0  
704  d_ai_bb       1.899373               0.0  
705  d_ai_bb       1.928276               0.0  
706  d_ai_bb       1.957178               0.0  
707  d_ai_bb        1.98608               0.0  
708  d_ai_bb       2.014982               0.0  
709  d_ai_bb       2.043885               0.0  
710  d_ai_bb       2.072787               0.0  
711  d_ai_bb       2.101689               0.0  
712  d_ai_bb       2.130592               0.0  
713  d_ai_bb       2.159494               0.0  
714  d_ai_bb       2.188396               0.0  
715  d_ai_bb       2.217299               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  mogul           "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  visualanalysis  0.0.1.dev43                                                           Y  
4  percentiles     "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
5  chimera         1.16                                                                  Y  
6  mapq            1.8.1                                                                 Y  
##
