data_8XU5

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8XU5
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8XU5
_pdbx_vrpt_summary.PDB_deposition_date         2024-01-12
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2024-01-24
_pdbx_vrpt_summary.report_creation_date        2024-01-18:03:07
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  "Nuclear receptor ROR-gamma"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.5  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
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   91.54  141614     ?     ?  
 2  2  1   97.10    1036  3.42  3.58  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1005  3.42  3.58  
 5  1  3   93.02  138945     ?     ?  
 6  2  3   97.91    1006  3.42  3.58  
 7  1  4   94.58  127900     ?     ?  
 8  2  4   93.46    1559  3.40  3.60  
 9  1  5   36.52  130704     ?     ?  
10  2  5   84.28    1659  3.40  3.60  
#
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   88.33  
 4  6  3  A  1  1  A   94.33  
 5  7  4  A  1  1  A   92.08  
 6  8  4  A  1  1  A   89.80  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B  100.00  
12  8  4  B  1  1  B  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  0.71  0.65  1956  2634  
2  1  1  B  B  0.72  0.64  1857  2496  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.25
_pdbx_vrpt_summary_geometry.clashscore                     1.60
_pdbx_vrpt_summary_geometry.num_H_reduce                   3743
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 3813
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.65
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                5130
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.72
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            88.209
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         113.493
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.66(3.48A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8997
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.331
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.324
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.945
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.058
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               43.22
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[115.131,115.131,110.277,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.043
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 3.44% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.98
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      418
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.65
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.22
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        43.26
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  ALA  A  265  .  ?        ?  
  2  1  1  A    2  SER  A  266  .  ?        ?  
  3  1  1  A    3  LEU  A  267  .  ?        ?  
  4  1  1  A    4  THR  A  268  .  ?        ?  
  5  1  1  A    5  GLU  A  269  .  ?        ?  
  6  1  1  A    6  ILE  A  270  .  ?        ?  
  7  1  1  A    7  GLU  A  271  .  ?        ?  
  8  1  1  A    8  HIS  A  272  .  ?        ?  
  9  1  1  A    9  LEU  A  273  .  ?        ?  
 10  1  1  A   10  VAL  A  274  .  ?        ?  
 11  1  1  A   11  GLN  A  275  .  ?        ?  
 12  1  1  A   12  SER  A  276  .  ?        ?  
 13  1  1  A   13  VAL  A  277  .  ?        ?  
 14  1  1  A   14  CYS  A  278  .  ?        ?  
 15  1  1  A   15  LYS  A  279  .  ?        ?  
 16  1  1  A   16  SER  A  280  .  ?        ?  
 17  1  1  A   17  TYR  A  281  .  ?        ?  
 18  1  1  A   18  ARG  A  282  .  ?        ?  
 19  1  1  A   19  GLU  A  283  .  ?        ?  
 20  1  1  A   20  THR  A  284  .  ?        ?  
 21  1  1  A   21  CYS  A  285  .  ?        ?  
 22  1  1  A   22  GLN  A  286  .  ?        ?  
 23  1  1  A   23  LEU  A  287  .  ?        1  
 24  1  1  A   24  ARG  A  288  .  ?        ?  
 25  1  1  A   25  LEU  A  289  .  ?        ?  
 26  1  1  A   26  GLU  A  290  .  ?        ?  
 27  1  1  A   27  ASP  A  291  .  ?        ?  
 28  1  1  A   28  LEU  A  292  .  ?        1  
 29  1  1  A   29  LEU  A  293  .  ?        ?  
 30  1  1  A   30  ARG  A  294  .  ?        ?  
 31  1  1  A   31  GLN  A  295  .  ?        ?  
 32  1  1  A   32  ARG  A  296  .  ?        ?  
 33  1  1  A   33  SER  A  297  .  ?        ?  
 34  1  1  A   34  ASN  A  298  .  ?        ?  
 35  1  1  A   35  ILE  A  299  .  ?        ?  
 36  1  1  A   36  PHE  A  300  .  ?        ?  
 37  1  1  A   37  SER  A  301  .  ?        ?  
 38  1  1  A   38  ARG  A  302  .  ?        ?  
 39  1  1  A   39  GLU  A  303  .  ?        ?  
 40  1  1  A   40  GLU  A  304  .  ?        ?  
 41  1  1  A   41  VAL  A  305  .  ?        ?  
 42  1  1  A   42  THR  A  306  .  ?        ?  
 43  1  1  A   43  GLY  A  307  .  ?        ?  
 44  1  1  A   44  TYR  A  308  .  ?        ?  
 45  1  1  A   45  GLN  A  309  .  ?        ?  
 46  1  1  A   46  ARG  A  310  .  ?        ?  
 47  1  1  A   47  LYS  A  311  .  ?        ?  
 48  1  1  A   48  SER  A  312  .  ?        ?  
 49  1  1  A   49  MET  A  313  .  ?        ?  
 50  1  1  A   50  TRP  A  314  .  ?        ?  
 51  1  1  A   51  GLU  A  315  .  ?        ?  
 52  1  1  A   52  MET  A  316  .  ?        ?  
 53  1  1  A   53  TRP  A  317  .  ?        ?  
 54  1  1  A   54  GLU  A  318  .  ?        ?  
 55  1  1  A   55  ARG  A  319  .  ?        ?  
 56  1  1  A   56  CYS  A  320  .  ?        ?  
 57  1  1  A   57  ALA  A  321  .  ?        ?  
 58  1  1  A   58  HIS  A  322  .  ?        ?  
 59  1  1  A   59  HIS  A  323  .  ?        ?  
 60  1  1  A   60  LEU  A  324  .  ?        ?  
 61  1  1  A   61  THR  A  325  .  ?        ?  
 62  1  1  A   62  GLU  A  326  .  ?        ?  
 63  1  1  A   63  ALA  A  327  .  ?        ?  
 64  1  1  A   64  ILE  A  328  .  ?        ?  
 65  1  1  A   65  GLN  A  329  .  ?        ?  
 66  1  1  A   66  TYR  A  330  .  ?        ?  
 67  1  1  A   67  VAL  A  331  .  ?        ?  
 68  1  1  A   68  VAL  A  332  .  ?        ?  
 69  1  1  A   69  GLU  A  333  .  ?        ?  
 70  1  1  A   70  PHE  A  334  .  ?        ?  
 71  1  1  A   71  ALA  A  335  .  ?        ?  
 72  1  1  A   72  LYS  A  336  .  ?        ?  
 73  1  1  A   73  ARG  A  337  .  ?        ?  
 74  1  1  A   74  LEU  A  338  .  ?        ?  
 75  1  1  A   75  SER  A  339  .  ?        ?  
 76  1  1  A   76  GLY  A  340  .  ?        ?  
 77  1  1  A   77  PHE  A  341  .  ?        ?  
 78  1  1  A   78  MET  A  342  .  ?        ?  
 79  1  1  A   79  GLU  A  343  .  ?        ?  
 80  1  1  A   80  LEU  A  344  .  ?        ?  
 81  1  1  A   81  CYS  A  345  .  ?        ?  
 82  1  1  A   82  GLN  A  346  .  ?        ?  
 83  1  1  A   83  ASN  A  347  .  ?        ?  
 84  1  1  A   84  ASP  A  348  .  ?        ?  
 85  1  1  A   85  GLN  A  349  .  ?        ?  
 86  1  1  A   86  ILE  A  350  .  ?        ?  
 87  1  1  A   87  VAL  A  351  .  ?        ?  
 88  1  1  A   88  LEU  A  352  .  ?        ?  
 89  1  1  A   89  LEU  A  353  .  ?        2  
 90  1  1  A   90  LYS  A  354  .  ?        ?  
 91  1  1  A   91  ALA  A  355  .  ?        ?  
 92  1  1  A   92  GLY  A  356  .  ?        ?  
 93  1  1  A   93  ALA  A  357  .  ?        ?  
 94  1  1  A   94  MET  A  358  .  ?        ?  
 95  1  1  A   95  GLU  A  359  .  ?        ?  
 96  1  1  A   96  VAL  A  360  .  ?        ?  
 97  1  1  A   97  VAL  A  361  .  ?        ?  
 98  1  1  A   98  LEU  A  362  .  ?        ?  
 99  1  1  A   99  VAL  A  363  .  ?        ?  
100  1  1  A  100  ARG  A  364  .  ?        ?  
101  1  1  A  101  MET  A  365  .  ?        ?  
102  1  1  A  102  CYS  A  366  .  ?        ?  
103  1  1  A  103  ARG  A  367  .  ?        ?  
104  1  1  A  104  ALA  A  368  .  ?        ?  
105  1  1  A  105  TYR  A  369  .  ?        ?  
106  1  1  A  106  ASN  A  370  .  ?        ?  
107  1  1  A  107  ALA  A  371  .  ?        ?  
108  1  1  A  108  ASP  A  372  .  ?        ?  
109  1  1  A  109  ASN  A  373  .  ?        ?  
110  1  1  A  110  ARG  A  374  .  ?        ?  
111  1  1  A  111  THR  A  375  .  ?        ?  
112  1  1  A  112  VAL  A  376  .  ?        ?  
113  1  1  A  113  PHE  A  377  .  ?        ?  
114  1  1  A  114  PHE  A  378  .  ?        ?  
115  1  1  A  115  GLU  A  379  .  ?        ?  
116  1  1  A  116  GLY  A  380  .  ?        ?  
117  1  1  A  117  LYS  A  381  .  ?        ?  
118  1  1  A  118  TYR  A  382  .  ?        ?  
119  1  1  A  119  GLY  A  383  .  ?        ?  
120  1  1  A  120  GLY  A  384  .  ?        ?  
121  1  1  A  121  MET  A  385  .  ?        ?  
122  1  1  A  122  GLU  A  386  .  ?        ?  
123  1  1  A  123  LEU  A  387  .  ?        ?  
124  1  1  A  124  PHE  A  388  .  ?        ?  
125  1  1  A  125  ARG  A  389  .  ?        ?  
126  1  1  A  126  ALA  A  390  .  ?        ?  
127  1  1  A  127  LEU  A  391  .  ?        ?  
128  1  1  A  128  GLY  A  392  .  ?        ?  
129  1  1  A  129  CYS  A  393  .  ?        ?  
130  1  1  A  130  SER  A  394  .  ?        ?  
131  1  1  A  131  GLU  A  395  .  ?        ?  
132  1  1  A  132  LEU  A  396  .  ?        ?  
133  1  1  A  133  ILE  A  397  .  ?        ?  
134  1  1  A  134  SER  A  398  .  ?        ?  
135  1  1  A  135  SER  A  399  .  ?        ?  
136  1  1  A  136  ILE  A  400  .  ?        ?  
137  1  1  A  137  PHE  A  401  .  ?        ?  
138  1  1  A  138  ASP  A  402  .  ?        ?  
139  1  1  A  139  PHE  A  403  .  ?        ?  
140  1  1  A  140  SER  A  404  .  ?        ?  
141  1  1  A  141  HIS  A  405  .  ?        ?  
142  1  1  A  142  SER  A  406  .  ?        ?  
143  1  1  A  143  LEU  A  407  .  ?        ?  
144  1  1  A  144  SER  A  408  .  ?        ?  
145  1  1  A  145  ALA  A  409  .  ?        ?  
146  1  1  A  146  LEU  A  410  .  ?        ?  
147  1  1  A  147  HIS  A  411  .  ?        ?  
148  1  1  A  148  PHE  A  412  .  ?        ?  
149  1  1  A  149  SER  A  413  .  ?        ?  
150  1  1  A  150  GLU  A  414  .  ?        ?  
151  1  1  A  151  ASP  A  415  .  ?        ?  
152  1  1  A  152  GLU  A  416  .  ?        ?  
153  1  1  A  153  ILE  A  417  .  ?        ?  
154  1  1  A  154  ALA  A  418  .  ?        ?  
155  1  1  A  155  LEU  A  419  .  ?        ?  
156  1  1  A  156  TYR  A  420  .  ?        ?  
157  1  1  A  157  THR  A  421  .  ?        ?  
158  1  1  A  158  ALA  A  422  .  ?        ?  
159  1  1  A  159  LEU  A  423  .  ?        ?  
160  1  1  A  160  VAL  A  424  .  ?        ?  
161  1  1  A  161  LEU  A  425  .  ?        ?  
162  1  1  A  162  ILE  A  426  .  ?        ?  
163  1  1  A  163  ASN  A  427  .  ?        ?  
164  1  1  A  164  ALA  A  428  .  ?        ?  
165  1  1  A  165  HIS  A  429  .  ?        ?  
166  1  1  A  166  ARG  A  430  .  ?        ?  
167  1  1  A  167  PRO  A  431  .  ?        ?  
168  1  1  A  168  GLY  A  432  .  ?        ?  
169  1  1  A  169  LEU  A  433  .  ?        ?  
170  1  1  A  170  GLN  A  434  .  ?        ?  
171  1  1  A  171  GLU  A  435  .  ?        ?  
172  1  1  A  172  LYS  A  436  .  ?        ?  
173  1  1  A  173  ARG  A  437  .  ?        ?  
174  1  1  A  174  LYS  A  438  .  ?        ?  
175  1  1  A  175  VAL  A  439  .  ?        ?  
176  1  1  A  176  GLU  A  440  .  ?        ?  
177  1  1  A  177  GLN  A  441  .  ?        ?  
178  1  1  A  178  LEU  A  442  .  ?        ?  
179  1  1  A  179  GLN  A  443  .  ?        ?  
180  1  1  A  180  TYR  A  444  .  ?        ?  
181  1  1  A  181  ASN  A  445  .  ?        ?  
182  1  1  A  182  LEU  A  446  .  ?        ?  
183  1  1  A  183  GLU  A  447  .  ?        ?  
184  1  1  A  184  LEU  A  448  .  ?        ?  
185  1  1  A  185  ALA  A  449  .  ?        ?  
186  1  1  A  186  PHE  A  450  .  ?        ?  
187  1  1  A  187  HIS  A  451  .  ?        ?  
188  1  1  A  188  HIS  A  452  .  ?        ?  
189  1  1  A  189  HIS  A  453  .  ?        ?  
190  1  1  A  190  LEU  A  454  .  ?        ?  
191  1  1  A  191  CYS  A  455  .  ?        ?  
192  1  1  A  192  LYS  A  456  .  ?        ?  
193  1  1  A  193  THR  A  457  .  ?        ?  
194  1  1  A  194  HIS  A  458  .  ?        ?  
195  1  1  A  195  ARG  A  459  .  ?        ?  
196  1  1  A  196  GLN  A  460  .  ?        ?  
197  1  1  A  197  SER  A  461  .  ?        ?  
198  1  1  A  198  ILE  A  462  .  ?        ?  
199  1  1  A  199  LEU  A  463  .  ?        ?  
200  1  1  A  200  ALA  A  464  .  ?        ?  
201  1  1  A  201  LYS  A  465  .  ?        ?  
202  1  1  A  202  LEU  A  466  .  ?        ?  
203  1  1  A  203  PRO  A  467  .  ?        ?  
204  1  1  A  204  PRO  A  468  .  ?        ?  
205  1  1  A  205  LYS  A  469  .  ?        ?  
206  1  1  A  206  GLY  A  470  .  ?        ?  
207  1  1  A  207  LYS  A  471  .  ?        ?  
208  1  1  A  208  LEU  A  472  .  ?        ?  
209  1  1  A  209  ARG  A  473  .  ?        ?  
210  1  1  A  210  SER  A  474  .  ?        ?  
211  1  1  A  211  LEU  A  475  .  ?        ?  
212  1  1  A  212  CYS  A  476  .  ?        ?  
213  1  1  A  213  SER  A  477  .  ?        ?  
214  1  1  A  214  GLN  A  478  .  ?        ?  
215  1  1  A  215  HIS  A  479  .  ?        ?  
216  1  1  A  216  VAL  A  480  .  ?        ?  
217  1  1  A  217  GLU  A  481  .  ?        ?  
218  1  1  A  218  ARG  A  482  .  ?        ?  
219  1  1  A  219  LEU  A  483  .  ?        ?  
220  1  1  A  220  GLN  A  484  .  ?        ?  
221  1  1  A  221  ILE  A  485  .  ?        ?  
222  1  1  A  222  PHE  A  486  .  ?        ?  
223  1  1  A  223  GLN  A  487  .  ?        ?  
224  1  1  A  224  HIS  A  488  .  ?        ?  
225  1  1  A  225  LEU  A  489  .  ?        ?  
226  1  1  A  226  HIS  A  490  .  ?        1  
227  1  1  A  227  PRO  A  491  .  ?        ?  
228  1  1  A  228  ILE  A  492  .  ?        1  
229  1  1  A  229  VAL  A  493  .  ?        1  
230  1  1  A  230  VAL  A  494  .  ?        1  
231  1  1  A  231  GLN  A  495  .  ?        1  
232  1  1  A  232  ALA  A  496  .  ?        ?  
233  1  1  A  233  ALA  A  497  .  ?        ?  
234  1  1  A  234  PHE  A  498  .  ?        1  
235  1  1  A  235  PRO  A  499  .  ?        1  
236  1  1  B    1  ALA  B  265  .  ?        ?  
237  1  1  B    2  SER  B  266  .  ?        ?  
238  1  1  B    3  LEU  B  267  .  ?        ?  
239  1  1  B    4  THR  B  268  .  ?        ?  
240  1  1  B    5  GLU  B  269  .  ?        ?  
241  1  1  B    6  ILE  B  270  .  ?        1  
242  1  1  B    7  GLU  B  271  .  ?        ?  
243  1  1  B    8  HIS  B  272  .  ?        ?  
244  1  1  B    9  LEU  B  273  .  ?        ?  
245  1  1  B   10  VAL  B  274  .  ?        1  
246  1  1  B   11  GLN  B  275  .  ?        ?  
247  1  1  B   12  SER  B  276  .  ?        ?  
248  1  1  B   13  VAL  B  277  .  ?        ?  
249  1  1  B   14  CYS  B  278  .  ?        ?  
250  1  1  B   15  LYS  B  279  .  ?        ?  
251  1  1  B   16  SER  B  280  .  ?        ?  
252  1  1  B   17  TYR  B  281  .  ?        ?  
253  1  1  B   18  ARG  B  282  .  ?        ?  
254  1  1  B   19  GLU  B  283  .  ?        ?  
255  1  1  B   20  THR  B  284  .  ?        ?  
256  1  1  B   21  CYS  B  285  .  ?        ?  
257  1  1  B   22  GLN  B  286  .  ?        ?  
258  1  1  B   23  LEU  B  287  .  ?        1  
259  1  1  B   24  ARG  B  288  .  ?        ?  
260  1  1  B   25  LEU  B  289  .  ?        ?  
261  1  1  B   26  GLU  B  290  .  ?        ?  
262  1  1  B   27  ASP  B  291  .  ?        ?  
263  1  1  B   28  LEU  B  292  .  ?        1  
264  1  1  B   29  LEU  B  293  .  ?        ?  
265  1  1  B   30  ARG  B  294  .  ?        ?  
266  1  1  B   31  GLN  B  295  .  ?        ?  
267  1  1  B   32  ARG  B  296  .  ?        ?  
268  1  1  B   33  SER  B  297  .  ?        ?  
269  1  1  B   34  ASN  B  298  .  ?        ?  
270  1  1  B   35  ILE  B  299  .  ?        ?  
271  1  1  B   36  PHE  B  300  .  ?        ?  
272  1  1  B   37  SER  B  301  .  ?        ?  
273  1  1  B   38  ARG  B  302  .  ?        ?  
274  1  1  B   39  GLU  B  303  .  ?        ?  
275  1  1  B   40  GLU  B  304  .  ?        ?  
276  1  1  B   41  VAL  B  305  .  ?        ?  
277  1  1  B   42  THR  B  306  .  ?        ?  
278  1  1  B   43  GLY  B  307  .  ?        ?  
279  1  1  B   44  TYR  B  308  .  ?        ?  
280  1  1  B   45  GLN  B  309  .  ?        ?  
281  1  1  B   46  ARG  B  310  .  ?        ?  
282  1  1  B   47  LYS  B  311  .  ?        ?  
283  1  1  B   48  SER  B  312  .  ?        ?  
284  1  1  B   49  MET  B  313  .  ?        ?  
285  1  1  B   50  TRP  B  314  .  ?        ?  
286  1  1  B   51  GLU  B  315  .  ?        ?  
287  1  1  B   52  MET  B  316  .  ?        ?  
288  1  1  B   53  TRP  B  317  .  ?        ?  
289  1  1  B   54  GLU  B  318  .  ?        ?  
290  1  1  B   55  ARG  B  319  .  ?        ?  
291  1  1  B   56  CYS  B  320  .  ?        ?  
292  1  1  B   57  ALA  B  321  .  ?        ?  
293  1  1  B   58  HIS  B  322  .  ?        ?  
294  1  1  B   59  HIS  B  323  .  ?        ?  
295  1  1  B   60  LEU  B  324  .  ?        ?  
296  1  1  B   61  THR  B  325  .  ?        ?  
297  1  1  B   62  GLU  B  326  .  ?        ?  
298  1  1  B   63  ALA  B  327  .  ?        ?  
299  1  1  B   64  ILE  B  328  .  ?        ?  
300  1  1  B   65  GLN  B  329  .  ?        ?  
301  1  1  B   66  TYR  B  330  .  ?        ?  
302  1  1  B   67  VAL  B  331  .  ?        ?  
303  1  1  B   68  VAL  B  332  .  ?        1  
304  1  1  B   69  GLU  B  333  .  ?        ?  
305  1  1  B   70  PHE  B  334  .  ?        ?  
306  1  1  B   71  ALA  B  335  .  ?        ?  
307  1  1  B   72  LYS  B  336  .  ?        ?  
308  1  1  B   73  ARG  B  337  .  ?        ?  
309  1  1  B   74  LEU  B  338  .  ?        ?  
310  1  1  B   75  SER  B  339  .  ?        ?  
311  1  1  B   76  GLY  B  340  .  ?        ?  
312  1  1  B   77  PHE  B  341  .  ?        ?  
313  1  1  B   78  MET  B  342  .  ?        ?  
314  1  1  B   79  GLU  B  343  .  ?        ?  
315  1  1  B   80  LEU  B  344  .  ?        ?  
316  1  1  B   81  CYS  B  345  .  ?        ?  
317  1  1  B   82  GLN  B  346  .  ?        ?  
318  1  1  B   83  ASN  B  347  .  ?        ?  
319  1  1  B   84  ASP  B  348  .  ?        ?  
320  1  1  B   85  GLN  B  349  .  ?        ?  
321  1  1  B   86  ILE  B  350  .  ?        ?  
322  1  1  B   87  VAL  B  351  .  ?        ?  
323  1  1  B   88  LEU  B  352  .  ?        ?  
324  1  1  B   89  LEU  B  353  .  ?        ?  
325  1  1  B   90  LYS  B  354  .  ?        ?  
326  1  1  B   91  ALA  B  355  .  ?        ?  
327  1  1  B   92  GLY  B  356  .  ?        ?  
328  1  1  B   93  ALA  B  357  .  ?        ?  
329  1  1  B   94  MET  B  358  .  ?        ?  
330  1  1  B   95  GLU  B  359  .  ?        ?  
331  1  1  B   96  VAL  B  360  .  ?        ?  
332  1  1  B   97  VAL  B  361  .  ?        ?  
333  1  1  B   98  LEU  B  362  .  ?        1  
334  1  1  B   99  VAL  B  363  .  ?        ?  
335  1  1  B  100  ARG  B  364  .  ?        ?  
336  1  1  B  101  MET  B  365  .  ?        ?  
337  1  1  B  102  CYS  B  366  .  ?        ?  
338  1  1  B  103  ARG  B  367  .  ?        ?  
339  1  1  B  104  ALA  B  368  .  ?        ?  
340  1  1  B  105  TYR  B  369  .  ?        ?  
341  1  1  B  106  ASN  B  370  .  ?        ?  
342  1  1  B  107  ALA  B  371  .  ?        ?  
343  1  1  B  108  ASP  B  372  .  ?        ?  
344  1  1  B  109  ASN  B  373  .  ?        ?  
345  1  1  B  110  ARG  B  374  .  ?        ?  
346  1  1  B  111  THR  B  375  .  ?        ?  
347  1  1  B  112  VAL  B  376  .  ?        ?  
348  1  1  B  113  PHE  B  377  .  ?        ?  
349  1  1  B  114  PHE  B  378  .  ?        ?  
350  1  1  B  115  GLU  B  379  .  ?        ?  
351  1  1  B  116  GLY  B  380  .  ?        ?  
352  1  1  B  117  LYS  B  381  .  ?        ?  
353  1  1  B  118  TYR  B  382  .  ?        ?  
354  1  1  B  119  GLY  B  383  .  ?        ?  
355  1  1  B  120  GLY  B  384  .  ?        ?  
356  1  1  B  121  MET  B  385  .  ?        ?  
357  1  1  B  122  GLU  B  386  .  ?        ?  
358  1  1  B  123  LEU  B  387  .  ?        ?  
359  1  1  B  124  PHE  B  388  .  ?        ?  
360  1  1  B  125  ARG  B  389  .  ?        ?  
361  1  1  B  126  ALA  B  390  .  ?        ?  
362  1  1  B  127  LEU  B  391  .  ?        ?  
363  1  1  B  128  GLY  B  392  .  ?        ?  
364  1  1  B  129  CYS  B  393  .  ?        ?  
365  1  1  B  130  SER  B  394  .  ?        ?  
366  1  1  B  131  GLU  B  395  .  ?        ?  
367  1  1  B  132  LEU  B  396  .  ?        ?  
368  1  1  B  133  ILE  B  397  .  ?        ?  
369  1  1  B  134  SER  B  398  .  ?        ?  
370  1  1  B  135  SER  B  399  .  ?        ?  
371  1  1  B  136  ILE  B  400  .  ?        ?  
372  1  1  B  137  PHE  B  401  .  ?        ?  
373  1  1  B  138  ASP  B  402  .  ?        ?  
374  1  1  B  139  PHE  B  403  .  ?        ?  
375  1  1  B  140  SER  B  404  .  ?        ?  
376  1  1  B  141  HIS  B  405  .  ?        ?  
377  1  1  B  142  SER  B  406  .  ?        ?  
378  1  1  B  143  LEU  B  407  .  ?        ?  
379  1  1  B  144  SER  B  408  .  ?        ?  
380  1  1  B  145  ALA  B  409  .  ?        ?  
381  1  1  B  146  LEU  B  410  .  ?        ?  
382  1  1  B  147  HIS  B  411  .  ?        ?  
383  1  1  B  148  PHE  B  412  .  ?        1  
384  1  1  B  149  SER  B  413  .  ?        ?  
385  1  1  B  150  GLU  B  414  .  ?        ?  
386  1  1  B  151  ASP  B  415  .  ?        ?  
387  1  1  B  152  GLU  B  416  .  ?        ?  
388  1  1  B  153  ILE  B  417  .  ?        1  
389  1  1  B  154  ALA  B  418  .  ?        ?  
390  1  1  B  155  LEU  B  419  .  ?        ?  
391  1  1  B  156  TYR  B  420  .  ?        ?  
392  1  1  B  157  THR  B  421  .  ?        ?  
393  1  1  B  158  ALA  B  422  .  ?        ?  
394  1  1  B  159  LEU  B  423  .  ?        ?  
395  1  1  B  160  VAL  B  424  .  ?        ?  
396  1  1  B  161  LEU  B  425  .  ?        ?  
397  1  1  B  162  ILE  B  426  .  ?        ?  
398  1  1  B  163  ASN  B  427  .  ?        ?  
399  1  1  B  164  ALA  B  428  .  ?        ?  
400  1  1  B  165  HIS  B  429  .  ?        ?  
401  1  1  B  166  ARG  B  430  .  ?        ?  
402  1  1  B  167  PRO  B  431  .  ?        ?  
403  1  1  B  168  GLY  B  432  .  ?        ?  
404  1  1  B  169  LEU  B  433  .  ?        ?  
405  1  1  B  170  GLN  B  434  .  ?        ?  
406  1  1  B  171  GLU  B  435  .  ?        ?  
407  1  1  B  172  LYS  B  436  .  ?        1  
408  1  1  B  173  ARG  B  437  .  ?        ?  
409  1  1  B  174  LYS  B  438  .  ?        ?  
410  1  1  B  175  VAL  B  439  .  ?        1  
411  1  1  B  176  GLU  B  440  .  ?        ?  
412  1  1  B  177  GLN  B  441  .  ?        ?  
413  1  1  B  178  LEU  B  442  .  ?        ?  
414  1  1  B  179  GLN  B  443  .  ?        ?  
415  1  1  B  180  TYR  B  444  .  ?        ?  
416  1  1  B  181  ASN  B  445  .  ?        ?  
417  1  1  B  182  LEU  B  446  .  ?        ?  
418  1  1  B  183  GLU  B  447  .  ?        ?  
419  1  1  B  184  LEU  B  448  .  ?        1  
420  1  1  B  185  ALA  B  449  .  ?        1  
421  1  1  B  186  PHE  B  450  .  ?        ?  
422  1  1  B  187  HIS  B  451  .  ?        ?  
423  1  1  B  188  HIS  B  452  .  ?        ?  
424  1  1  B  189  HIS  B  453  .  ?        ?  
425  1  1  B  190  LEU  B  454  .  ?        ?  
426  1  1  B  191  CYS  B  455  .  ?        ?  
427  1  1  B  192  LYS  B  456  .  ?        ?  
428  1  1  B  193  THR  B  457  .  ?        ?  
429  1  1  B  194  HIS  B  458  .  ?        ?  
430  1  1  B  195  ARG  B  459  .  ?        ?  
431  1  1  B  196  GLN  B  460  .  ?        ?  
432  1  1  B  197  SER  B  461  .  ?        ?  
433  1  1  B  198  ILE  B  462  .  ?        ?  
434  1  1  B  199  LEU  B  463  .  ?        ?  
435  1  1  B  200  ALA  B  464  .  ?        ?  
436  1  1  B  201  LYS  B  465  .  ?        ?  
437  1  1  B  202  LEU  B  466  .  ?        ?  
438  1  1  B  203  PRO  B  467  .  ?        ?  
439  1  1  B  204  PRO  B  468  .  ?        ?  
440  1  1  B  205  LYS  B  469  .  ?        ?  
441  1  1  B  206  GLY  B  470  .  ?        ?  
442  1  1  B  207  LYS  B  471  .  ?        ?  
443  1  1  B  208  LEU  B  472  .  ?        1  
444  1  1  B  209  ARG  B  473  .  ?        ?  
445  1  1  B  210  SER  B  474  .  ?        ?  
446  1  1  B  211  LEU  B  475  .  ?        ?  
447  1  1  B  212  CYS  B  476  .  ?        ?  
448  1  1  B  213  SER  B  477  .  ?        ?  
449  1  1  B  214  GLN  B  478  .  ?        ?  
450  1  1  B  215  HIS  B  479  .  ?        ?  
451  1  1  B  216  VAL  B  480  .  ?        ?  
452  1  1  B  217  GLU  B  481  .  ?        ?  
453  1  1  B  218  ARG  B  482  .  ?        ?  
454  1  1  B  219  LEU  B  483  .  ?        ?  
455  1  1  B  220  GLN  B  484  .  ?        ?  
456  1  1  B  221  ILE  B  485  .  ?        ?  
457  1  1  B  222  PHE  B  486  .  ?        ?  
458  1  1  B  223  GLN  B  487  .  ?        ?  
459  1  2  C    .  HOH  A  601  .  ?        ?  
460  1  2  C    .  HOH  A  602  .  ?        ?  
461  1  2  C    .  HOH  A  603  .  ?        ?  
462  1  2  C    .  HOH  A  604  .  ?        ?  
463  1  2  C    .  HOH  A  605  .  ?        ?  
464  1  2  C    .  HOH  A  606  .  ?        ?  
465  1  2  C    .  HOH  A  607  .  ?        ?  
466  1  2  C    .  HOH  A  608  .  ?        ?  
467  1  2  C    .  HOH  A  609  .  ?        ?  
468  1  2  D    .  HOH  B  601  .  ?        ?  
469  1  2  D    .  HOH  B  602  .  ?        ?  
470  1  2  D    .  HOH  B  603  .  ?        ?  
471  1  2  D    .  HOH  B  604  .  ?        ?  
472  1  2  D    .  HOH  B  605  .  ?        ?  
473  1  2  D    .  HOH  B  606  .  ?        ?  
474  1  2  D    .  HOH  B  607  .  ?        ?  
475  1  2  D    .  HOH  B  608  .  ?        ?  
#
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.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?           ?     4   95.460     5  0.92     7  0.87  molprobity  1.000  
  2    2  p         -70.1   153.1  Favored     ?     5  103.790     6  0.83     8  0.88  molprobity  1.000  
  3    3  mt        -50.4   -46.7  Favored     ?    11  121.640     8  0.73    11  0.65  molprobity  1.000  
  4    4  p         -61.2   -44.8  Favored     ?     7  120.660     7  0.60    10  0.72  molprobity  1.000  
  5    5  mt-10     -59.9   -46.9  Favored     ?     6  112.640     9  0.83    12  0.72  molprobity  1.000  
  6    6  mm        -60.7   -47.4  Favored     ?    11   93.840     8  0.80    11  0.78  molprobity  1.000  
  7    7  mt-10     -58.5   -41.5  Favored     ?     6  109.640     9  0.50    12  0.86  molprobity  1.000  
  8    8  t-80      -56.8   -46.8  Favored     ?     7  115.500    11  0.69    15  0.67  molprobity  1.000  
  9    9  tp        -61.4   -46.6  Favored     ?    11   90.300     8  0.70    11  0.53  molprobity  1.000  
 10   10  t         -52.3   -50.6  Favored     ?     9   84.880     7  0.70    10  0.81  molprobity  1.000  
 11   11  mt-30     -61.6   -50.8  Favored     ?     8  108.130     9  0.53    12  0.66  molprobity  1.000  
 12   12  t         -50.8   -56.2  Favored     ?     5   91.340     6  0.90     8  0.81  molprobity  1.000  
 13   13  t         -61.9   -48.0  Favored     ?     9   78.970     7  0.69    10  0.58  molprobity  1.000  
 14   14  m         -63.0   -42.4  Favored     ?     5   95.820     6  0.71     8  0.80  molprobity  1.000  
 15   15  tttt      -63.2   -47.7  Favored     ?    13  112.880     9  0.49    11  0.78  molprobity  1.000  
 16   16  m         -54.3   -47.5  Favored     ?     5  100.170     6  0.83     8  0.71  molprobity  1.000  
 17   17  t80       -59.3   -46.5  Favored     ?     9  110.080    13  0.46    18  0.67  molprobity  1.000  
 18   18  ttt-85    -54.7   -42.1  Favored     ?    13  110.310    11  0.50    14  1.01  molprobity  1.000  
 19   19  mt-10     -71.7   -38.5  Favored     ?     6  114.540     9  0.57    12  0.75  molprobity  1.000  
 20   20  p        -107.2    19.0  Favored     ?     7  103.990     7  0.80    10  0.72  molprobity  1.000  
 21   21  p         -62.5   -36.4  Favored     ?     5  119.490     6  0.79     8  1.11  molprobity  1.000  
 22   22  tt0        89.5   -25.4  Allowed     ?     8  115.030     9  0.61    12  0.59  molprobity  1.000  
 23   23  mt       -152.2   158.7  Favored     ?    11  120.060     8  0.53    11  0.73  molprobity  1.000  
 24   24  mtp-105   -98.0   124.1  Favored     ?    13  145.280    11  0.56    14  0.85  molprobity  1.000  
 25   25  tp        -48.5   -49.1  Favored     ?    11  111.840     8  0.65    11  0.76  molprobity  1.000  
 26   26  tt0       -44.6   -57.2  Favored     ?     6  146.800     9  0.68    12  0.67  molprobity  1.000  
 27   27  m-20      -55.9   -52.6  Favored     ?     4  139.320     8  0.64    11  0.82  molprobity  1.000  
 28   28  mp        -55.0   -49.6  Favored     ?    11  117.590     8  0.68    11  0.64  molprobity  1.000  
 29   29  mt        -60.6   -43.8  Favored     ?    11  126.860     8  0.54    11  0.64  molprobity  1.000  
 30   30  mtp180    -63.4   -43.5  Favored     ?    13  132.030    11  0.56    14  0.94  molprobity  1.000  
 31   31  mm-40     -66.9   -14.3  Favored     ?     8  123.560     9  0.56    12  0.67  molprobity  1.000  
 32   32  mtt180    -52.7   -38.7  Favored     ?    13  116.980    11  0.64    14  0.83  molprobity  1.000  
 33   33  p         -63.3   -38.7  Favored     ?     5  116.630     6  0.74     8  0.76  molprobity  1.000  
 34   34  t-20      -71.6   119.4  Favored     ?     6  133.660     8  0.62    11  0.63  molprobity  1.000  
 35   35  mt       -133.1   149.1  Favored     ?    11  123.120     8  0.72    11  0.62  molprobity  1.000  
 36   36  m-85      -64.6   132.1  Favored     ?     9  116.440    12  0.58    16  0.60  molprobity  1.000  
 37   37  p         -67.2   151.5  Favored     ?     5  109.880     6  0.92     8  0.70  molprobity  1.000  
 38   38  ttt85     -53.5   -42.9  Favored     ?    13  136.960    11  0.55    14  0.90  molprobity  1.000  
 39   39  mp0       -58.3   -47.5  Favored     ?     6  140.850     9  0.57    12  0.60  molprobity  1.000  
 40   40  mt-10     -59.9   -45.7  Favored     ?     6  124.190     9  0.70    12  0.71  molprobity  1.000  
 41   41  t         -59.0   -51.6  Favored     ?     9  106.380     7  0.75    10  0.67  molprobity  1.000  
 42   42  p         -57.6   -40.6  Favored     ?     7  100.700     7  0.65    10  0.87  molprobity  1.000  
 43   43  ?         -53.5   -51.9  Favored     ?     3  103.270     4  0.99     5  0.78  molprobity  1.000  
 44   44  m-85      -62.3   -39.6  Favored     ?     9  100.390    13  0.55    18  0.41  molprobity  1.000  
 45   45  mt-30     -63.9   -38.7  Favored     ?     8  104.480     9  0.55    12  0.65  molprobity  1.000  
 46   46  mtm180    -68.8   -29.5  Favored     ?    13  104.870    11  0.59    14  1.01  molprobity  1.000  
 47   47  mttm      -57.2   148.7  Favored     ?    13  108.300     9  0.61    11  0.53  molprobity  1.000  
 48   48  t         -67.4   148.4  Favored     ?     5  100.490     6  0.79     8  0.98  molprobity  1.000  
 49   49  ptp       -53.4   -42.4  Favored     ?     9  105.420     8  0.55    10  0.89  molprobity  1.000  
 50   50  m95       -61.5   -46.7  Favored     ?    10  124.900    16  0.49    23  0.47  molprobity  1.000  
 51   51  tt0       -59.8   -50.1  Favored     ?     6  117.250     9  0.80    12  0.52  molprobity  1.000  
 52   52  mmm       -58.4   -47.5  Favored     ?     9  100.670     8  0.48    10  0.73  molprobity  1.000  
 53   53  m95       -59.8   -45.1  Favored     ?    10  119.440    16  0.51    23  0.60  molprobity  1.000  
 54   54  mt-10     -58.8   -51.8  Favored     ?     6  126.060     9  0.63    12  0.42  molprobity  1.000  
 55   55  ttm105    -54.2   -52.4  Favored     ?    13  115.770    11  0.59    14  0.99  molprobity  1.000  
 56   56  m         -59.6   -48.3  Favored     ?     5  100.840     6  0.67     8  0.78  molprobity  1.000  
 57   57  ?         -59.0   -41.4  Favored     ?     5   95.230     5  0.70     7  0.92  molprobity  1.000  
 58   58  t-80      -53.5   -52.1  Favored     ?     7  120.150    11  0.61    15  0.64  molprobity  1.000  
 59   59  m-70      -59.6   -49.8  Favored     ?     7  109.430    11  0.63    15  0.66  molprobity  1.000  
 60   60  mp        -56.3   -52.7  Favored     ?    11  118.580     8  0.72    11  0.48  molprobity  1.000  
 61   61  p         -61.8   -45.3  Favored     ?     7  122.380     7  0.63    10  0.86  molprobity  1.000  
 62   62  tt0       -48.4   -54.1  Favored     ?     6  123.260     9  0.65    12  0.67  molprobity  1.000  
 63   63  ?         -59.0   -46.8  Favored     ?     5  110.210     5  0.75     7  0.70  molprobity  1.000  
 64   64  mt        -57.7   -40.2  Favored     ?    11  110.060     8  0.63    11  0.72  molprobity  1.000  
 65   65  tt0       -53.9   -53.4  Favored     ?     8  131.600     9  0.77    12  0.73  molprobity  1.000  
 66   66  m-85      -56.0   -48.5  Favored     ?     9  114.450    13  0.52    18  0.44  molprobity  1.000  
 67   67  t         -54.6   -45.5  Favored     ?     9  107.990     7  0.69    10  0.63  molprobity  1.000  
 68   68  t         -62.3   -43.3  Favored     ?     9  126.030     7  0.74    10  0.79  molprobity  1.000  
 69   69  tp10      -61.0   -40.9  Favored     ?     6  117.160     9  0.78    12  0.71  molprobity  1.000  
 70   70  t80       -55.8   -48.0  Favored     ?     9  107.020    12  0.55    16  0.50  molprobity  1.000  
 71   71  ?         -60.5   -43.8  Favored     ?     5  111.260     5  0.68     7  0.66  molprobity  1.000  
 72   72  mtpt      -60.4   -42.6  Favored     ?    13  135.970     9  0.51    11  1.00  molprobity  1.000  
 73   73  mtt180    -75.2   -18.5  Favored     ?    13  125.330    11  0.54    14  0.81  molprobity  1.000  
 74   74  mt        -64.7   137.3  Favored     ?    11  112.460     8  0.76    11  0.70  molprobity  1.000  
 75   75  m         -67.0   126.3  Favored     ?     5  114.470     6  0.84     8  0.64  molprobity  1.000  
 76   76  ?          95.8   -16.5  Favored     ?     3  118.430     4  0.90     5  0.77  molprobity  1.000  
 77   77  t80       -59.1   -47.1  Favored     ?     9  131.280    12  0.51    16  0.50  molprobity  1.000  
 78   78  mmm       -62.5   -40.2  Favored     ?     9  120.010     8  0.63    10  0.72  molprobity  1.000  
 79   79  mp0       -63.2   -32.0  Favored     ?     6  128.290     9  0.62    12  0.59  molprobity  1.000  
 80   80  mt        -65.2   147.9  Favored     ?    11  137.510     8  0.66    11  0.55  molprobity  1.000  
 81   81  p         -66.0   149.7  Favored     ?     5  138.930     6  0.72     8  0.88  molprobity  1.000  
 82   82  mm-40     -44.4   -53.6  Favored     ?     8  136.220     9  0.66    12  0.76  molprobity  1.000  
 83   83  t30       -49.7   -52.0  Favored     ?     6  125.700     8  0.62    11  0.62  molprobity  1.000  
 84   84  m-20      -65.3   -41.8  Favored     ?     4  121.900     8  0.66    11  0.94  molprobity  1.000  
 85   85  mt-30     -55.4   -56.9  Favored     ?     8  111.450     9  0.67    12  0.81  molprobity  1.000  
 86   86  mt        -58.5   -47.1  Favored     ?    11  108.030     8  0.69    11  0.61  molprobity  1.000  
 87   87  t         -53.0   -55.3  Favored     ?     9  116.730     7  0.85    10  0.80  molprobity  1.000  
 88   88  mt        -59.1   -49.4  Favored     ?    11  115.580     8  0.68    11  0.70  molprobity  1.000  
 89   89  mt        -60.0   -53.4  Favored     ?    11  110.510     8  0.55    11  0.65  molprobity  1.000  
 90   90  tttt      -44.5   -58.2  Favored     ?    13  123.230     9  0.59    11  0.93  molprobity  1.000  
 91   91  ?         -66.6   -43.3  Favored     ?     5  120.320     5  0.73     7  0.76  molprobity  1.000  
 92   92  ?         -94.8   -30.2  Favored     ?     3  113.030     4  0.73     5  1.08  molprobity  1.000  
 93   93  ?         -48.5   -58.9  Favored     ?     5  115.920     5  0.80     7  0.58  molprobity  1.000  
 94   94  ttm       -59.3   -44.5  Favored     ?     9  141.810     8  0.70    10  0.72  molprobity  1.000  
 95   95  mt-10     -54.7   -44.0  Favored     ?     6  100.600     9  0.76    12  0.73  molprobity  1.000  
 96   96  t         -61.6   -45.4  Favored     ?     9   99.240     7  0.82    10  0.47  molprobity  1.000  
 97   97  t         -61.5   -41.5  Favored     ?     9   95.830     7  0.68    10  0.66  molprobity  1.000  
 98   98  mp        -57.5   -42.1  Favored     ?    11  107.930     8  0.78    11  0.54  molprobity  1.000  
 99   99  t         -64.2   -48.5  Favored     ?     9   95.270     7  0.66    10  0.69  molprobity  1.000  
100  100  mtt-85    -62.3   -24.0  Favored     ?    13   97.470    11  0.56    14  0.88  molprobity  1.000  
101  101  mtp       -62.8   -29.2  Favored     ?     9  113.540     8  0.68    10  1.02  molprobity  1.000  
102  102  p         -54.2   -35.1  Favored     ?     5  108.610     6  0.83     8  0.70  molprobity  1.000  
103  103  mtp180    -60.3   -44.9  Favored     ?    13   96.960    11  0.49    14  0.94  molprobity  1.000  
104  104  ?         -68.3   -37.4  Favored     ?     5   93.880     5  0.64     7  0.81  molprobity  1.000  
105  105  t80       -66.8   130.6  Favored     ?     9   89.540    13  0.51    18  0.58  molprobity  1.000  
106  106  t30      -108.0   114.3  Favored     ?     6  105.720     8  0.59    11  0.68  molprobity  1.000  
107  107  ?         -65.2   -36.5  Favored     ?     5   99.140     5  0.65     7  0.77  molprobity  1.000  
108  108  m-20      -59.8   -53.6  Favored     ?     4  115.800     8  0.64    11  0.61  molprobity  1.000  
109  109  p30       -99.6    -1.5  Favored     ?     6  113.320     8  0.62    11  0.69  molprobity  1.000  
110  110  mtt85      51.0    47.4  Favored     ?    13  111.290    11  0.54    14  0.98  molprobity  1.000  
111  111  p        -118.1   157.6  Favored     ?     7   94.250     7  0.51    10  0.63  molprobity  1.000  
112  112  p        -126.3   148.8  Favored     ?     9   86.090     7  0.61    10  0.81  molprobity  1.000  
113  113  t80       -77.2   112.0  Favored     ?     9   97.650    12  0.52    16  0.58  molprobity  1.000  
114  114  t80      -131.2   122.1  Favored     ?     9  103.490    12  0.44    16  0.57  molprobity  1.000  
115  115  mt-10      45.8    50.2  Favored     ?     6  117.900     9  0.70    12  0.54  molprobity  1.000  
116  116  ?          93.3     2.4  Favored     ?     3  113.000     4  0.93     5  0.93  molprobity  1.000  
117  117  mttt     -149.0   162.2  Favored     ?    13  116.930     9  0.61    11  0.62  molprobity  1.000  
118  118  m-85      -87.8   133.3  Favored     ?     9  102.360    13  0.51    18  0.58  molprobity  1.000  
119  119  ?        -143.5   151.2  Favored     ?     3  103.210     4  0.78     5  0.84  molprobity  1.000  
120  120  ?         -86.9  -170.3  Favored     ?     3   94.810     4  1.17     5  0.90  molprobity  1.000  
121  121  mtp       -56.9   -30.5  Favored     ?     9   99.760     8  0.61    10  0.73  molprobity  1.000  
122  122  mp0       -51.7   -37.4  Favored     ?     6  104.220     9  0.59    12  0.66  molprobity  1.000  
123  123  mp        -53.4   -38.6  Favored     ?    11  100.280     8  0.65    11  0.47  molprobity  1.000  
124  124  m-85     -100.1    25.1  Favored     ?     9   96.820    12  0.60    16  0.61  molprobity  1.000  
125  125  ttm180    -57.7   -42.9  Favored     ?    13  110.420    11  0.50    14  0.79  molprobity  1.000  
126  126  ?         -49.7   -45.4  Favored     ?     5   95.830     5  0.70     7  0.88  molprobity  1.000  
127  127  mp        -56.9   -36.8  Favored     ?    11   96.140     8  0.68    11  0.51  molprobity  1.000  
128  128  ?          72.0    29.8  Favored     ?     3  102.020     4  0.75     5  1.09  molprobity  1.000  
129  129  m        -119.0    65.9  Allowed     ?     5  120.590     6  0.60     8  0.83  molprobity  1.000  
130  130  p         -60.6   -41.0  Favored     ?     5  107.980     6  0.88     8  0.79  molprobity  1.000  
131  131  mp0       -65.2   -50.4  Favored     ?     6  120.660     9  0.68    12  0.62  molprobity  1.000  
132  132  tp        -55.9   -51.4  Favored     ?    11  105.220     8  0.56    11  0.53  molprobity  1.000  
133  133  mm        -60.6   -49.4  Favored     ?    11  106.560     8  0.76    11  0.66  molprobity  1.000  
134  134  p         -55.7   -47.0  Favored     ?     5  113.710     6  0.84     8  0.81  molprobity  1.000  
135  135  p         -61.1   -43.7  Favored     ?     5  106.670     6  0.85     8  0.73  molprobity  1.000  
136  136  mt        -61.1   -46.2  Favored     ?    11  108.710     8  0.75    11  0.55  molprobity  1.000  
137  137  m-85      -60.5   -47.6  Favored     ?     9   97.020    12  0.51    16  0.63  molprobity  1.000  
138  138  m-20      -58.1   -50.4  Favored     ?     4  118.190     8  0.63    11  0.67  molprobity  1.000  
139  139  t80       -54.4   -50.3  Favored     ?     9  103.820    12  0.52    16  0.46  molprobity  1.000  
140  140  m         -63.2   -38.7  Favored     ?     5   97.500     6  1.11     8  0.77  molprobity  1.000  
141  141  t60       -55.3   -51.2  Favored     ?     7  104.110    11  0.55    15  0.65  molprobity  1.000  
142  142  p         -56.9   -49.9  Favored     ?     5   99.610     6  0.88     8  0.69  molprobity  1.000  
143  143  mt        -63.7   -41.0  Favored     ?    11  110.200     8  0.64    11  0.54  molprobity  1.000  
144  144  t         -62.9   -39.9  Favored     ?     5  124.100     6  1.01     8  0.82  molprobity  1.000  
145  145  ?         -57.0   -38.8  Favored     ?     5   99.120     5  0.65     7  0.83  molprobity  1.000  
146  146  mp        -69.0   -14.2  Favored     ?    11   90.790     8  0.68    11  0.58  molprobity  1.000  
147  147  m80        51.4    47.6  Favored     ?     7  103.180    11  0.57    15  0.74  molprobity  1.000  
148  148  OUTLIER   -41.7   122.7  Favored     ?     9   97.050    12  0.44    16  0.74  molprobity  1.000  
149  149  t         -66.0   149.6  Favored     ?     5   92.930     6  0.85     8  0.73  molprobity  1.000  
150  150  mm-40     -53.8   -44.3  Favored     ?     6  106.400     9  0.67    12  0.68  molprobity  1.000  
151  151  m-20      -63.2   -35.9  Favored     ?     4   95.570     8  0.53    11  0.65  molprobity  1.000  
152  152  mt-10     -69.5   -46.7  Favored     ?     6   87.040     9  0.63    12  0.63  molprobity  1.000  
153  153  mt        -55.5   -50.5  Favored     ?    11   95.520     8  0.60    11  0.67  molprobity  1.000  
154  154  ?         -49.9   -55.4  Favored     ?     5   84.460     5  0.68     7  0.47  molprobity  1.000  
155  155  mt        -65.9   -41.7  Favored     ?    11   94.170     8  0.63    11  0.64  molprobity  1.000  
156  156  t80       -64.0   -51.6  Favored     ?     9   91.600    13  0.49    18  0.56  molprobity  1.000  
157  157  p         -56.3   -45.7  Favored     ?     7   81.670     7  0.66    10  0.88  molprobity  1.000  
158  158  ?         -57.1   -48.2  Favored     ?     5   85.390     5  0.65     7  0.74  molprobity  1.000  
159  159  mt        -62.7   -40.7  Favored     ?    11  105.070     8  0.71    11  0.56  molprobity  1.000  
160  160  t         -53.1   -56.1  Favored     ?     9  108.740     7  0.83    10  0.81  molprobity  1.000  
161  161  mt        -56.9   -52.4  Favored     ?    11   85.870     8  0.79    11  0.77  molprobity  1.000  
162  162  mm        -90.4    91.8  Favored     ?    11   87.480     8  0.74    11  0.73  molprobity  1.000  
163  163  t30      -135.5   122.7  Favored     ?     6   99.450     8  0.56    11  0.71  molprobity  1.000  
164  164  ?         -68.3   -30.7  Favored     ?     5  119.950     5  0.76     7  0.54  molprobity  1.000  
165  165  m80       -70.2   -22.9  Favored     ?     7  122.820    11  0.48    15  0.90  molprobity  1.000  
166  166  mmt180    -50.0   124.2  Favored     ?    13  109.820    11  0.65    15  1.07  molprobity  1.000  
167  167  Cg_exo    -73.9   157.1  Favored     ?     7  116.930     8  0.47    11  0.65  molprobity  1.000  
168  168  ?          95.5    -1.3  Favored     ?     3  131.610     4  0.87     5  0.74  molprobity  1.000  
169  169  mt        -80.0   120.8  Favored     ?    11  138.040     8  0.70    11  0.41  molprobity  1.000  
170  170  mm-40     -77.4   -50.4  Favored     ?     8  139.320     9  0.54    12  0.68  molprobity  1.000  
171  171  mt-10     -85.4    57.2  Favored     ?     6  120.500     9  0.60    12  0.55  molprobity  1.000  
172  172  tttt      -55.1   -48.5  Favored     ?    13  121.400     9  0.60    11  0.65  molprobity  1.000  
173  173  mmm180    -57.3   -44.0  Favored     ?    13  133.460    11  0.53    14  0.81  molprobity  1.000  
174  174  tttt      -62.5   -44.1  Favored     ?    13  129.530     9  0.52    11  0.68  molprobity  1.000  
175  175  t         -65.2   -45.4  Favored     ?     9  111.120     7  0.71    10  0.75  molprobity  1.000  
176  176  mt-10     -50.2   -51.0  Favored     ?     6  109.480     9  0.59    12  0.71  molprobity  1.000  
177  177  tp60      -57.8   -48.9  Favored     1     8  119.370     9  0.53    12  0.69  molprobity  1.000  
178  178  mp        -59.9   -47.8  Favored     ?    11  102.020     8  0.67    11  0.63  molprobity  1.000  
179  179  tt0       -56.4   -54.8  Favored     ?     8   86.870     9  0.50    12  0.61  molprobity  1.000  
180  180  t80       -57.5   -45.0  Favored     ?     9   96.010    13  0.43    18  0.49  molprobity  1.000  
181  181  m120      -61.6   -43.6  Favored     1     6   97.880     8  0.67    11  0.71  molprobity  1.000  
182  182  mt        -68.2   -37.3  Favored     ?    11   80.770     8  0.57    11  0.63  molprobity  1.000  
183  183  mt-10     -56.2   -52.6  Favored     ?     6   82.200     9  0.76    12  0.77  molprobity  1.000  
184  184  mt        -52.9   -49.1  Favored     ?    11   95.180     8  0.66    11  0.66  molprobity  1.000  
185  185  ?         -57.5   -49.9  Favored     ?     5   77.910     5  0.75     7  0.64  molprobity  1.000  
186  186  t80       -56.4   -53.9  Favored     ?     9   84.310    12  0.41    16  0.50  molprobity  1.000  
187  187  m170      -58.4   -46.8  Favored     ?     7   80.940    11  0.59    15  0.72  molprobity  1.000  
188  188  t60       -58.4   -49.1  Favored     ?     7   92.740    11  0.57    15  0.45  molprobity  1.000  
189  189  t-80      -66.9   -38.1  Favored     ?     7   79.530    11  0.52    15  0.69  molprobity  1.000  
190  190  mt        -61.6   -44.3  Favored     ?    11   83.090     8  0.70    11  0.68  molprobity  1.000  
191  191  m         -55.3   -49.8  Favored     ?     5   84.180     6  0.75     8  0.90  molprobity  1.000  
192  192  mttt      -64.7   -39.7  Favored     ?    13  105.110     9  0.53    11  0.67  molprobity  1.000  
193  193  p         -90.8     0.1  Favored     ?     7   91.150     7  0.76    10  0.60  molprobity  1.000  
194  194  m80        53.8    44.2  Favored     ?     7  103.130    11  0.52    15  0.62  molprobity  1.000  
195  195  mmm180   -118.6    28.6  Favored     ?    13   95.510    11  0.47    14  0.66  molprobity  1.000  
196  196  mp0       -59.0   -29.7  Favored     ?     8   91.820     9  0.74    12  0.79  molprobity  1.000  
197  197  p         -52.6   -43.2  Favored     ?     5   86.360     6  0.96     8  0.88  molprobity  1.000  
198  198  pt        -64.3   -28.3  Favored     ?    11   84.790     8  0.74    11  0.72  molprobity  1.000  
199  199  mt        -47.4   -53.0  Favored     ?    11   93.940     8  0.61    11  0.62  molprobity  1.000  
200  200  ?         -61.5   -38.8  Favored     ?     5   96.310     5  0.65     7  0.67  molprobity  1.000  
201  201  mttt      -77.2   -13.7  Favored     ?    13  105.040     9  0.63    11  0.63  molprobity  1.000  
202  202  mt        -63.2   149.6  Favored     ?    11  104.930     8  0.64    12  0.47  molprobity  1.000  
203  203  Cg_endo   -65.3   143.2  Favored     ?     7  123.370     8  0.37    12  0.45  molprobity  1.000  
204  204  Cg_exo    -66.0   151.4  Favored     ?     7  127.920     8  0.35    11  0.75  molprobity  1.000  
205  205  tttt      -49.5   -47.6  Favored     ?    13  133.030     9  0.58    11  0.69  molprobity  1.000  
206  206  ?         -51.7   -50.4  Favored     ?     3  131.100     4  0.96     5  0.75  molprobity  1.000  
207  207  tttt      -60.8   -44.0  Favored     ?    13  138.950     9  0.67    11  0.66  molprobity  1.000  
208  208  mt        -55.0   -51.1  Favored     ?    11  108.400     8  0.66    11  0.65  molprobity  1.000  
209  209  tpt180    -63.5   -45.3  Favored     ?    13  130.440    11  0.57    14  0.90  molprobity  1.000  
210  210  t         -50.3   -57.1  Favored     ?     5  111.940     6  0.97     8  0.70  molprobity  1.000  
211  211  mp        -61.1   -42.2  Favored     ?    11  102.750     8  0.56    11  0.69  molprobity  1.000  
212  212  m         -66.0   -45.5  Favored     ?     5  123.700     6  0.76     8  0.82  molprobity  1.000  
213  213  m         -54.5   -52.5  Favored     ?     5  143.010     6  0.93     8  0.68  molprobity  1.000  
214  214  pt20      -67.9   -38.0  Favored     ?     8  135.600     9  0.54    12  1.12  molprobity  1.000  
215  215  t-80      -57.3   -51.9  Favored     ?     7  136.070    11  0.56    15  0.50  molprobity  1.000  
216  216  t         -59.9   -44.2  Favored     ?     9  130.910     7  0.78    10  0.83  molprobity  1.000  
217  217  tm-20     -53.4   -50.1  Favored     ?     6  136.760     9  0.69    12  0.88  molprobity  1.000  
218  218  mmt180    -62.0   -43.5  Favored     ?    13  132.230    11  0.62    14  0.64  molprobity  1.000  
219  219  mt        -60.8   -42.2  Favored     ?    11  121.140     8  0.59    11  0.65  molprobity  1.000  
220  220  mt-30     -65.8   -35.4  Favored     ?     8  152.710     9  0.63    12  0.64  molprobity  1.000  
221  221  mt        -58.5   -45.9  Favored     ?    11  145.320     8  0.80    11  0.73  molprobity  1.000  
222  222  m-85      -75.2   162.3  Favored     ?     9  141.350    12  0.50    16  0.73  molprobity  1.000  
223  223  mt-30     -77.6    77.6  Favored     ?     8  162.810     9  0.61    12  0.91  molprobity  1.000  
224  224  m80      -137.3   156.2  Favored     ?     7  159.660    11  0.61    15  0.73  molprobity  1.000  
225  225  mt       -110.0   159.4  Favored     ?    11  163.250     8  0.73    11  0.63  molprobity  1.000  
226  226  t-80      -51.5   132.1  Favored     ?     7  160.230    11  0.56    16  0.65  molprobity  1.000  
227  227  Cg_exo    -57.2   -34.0  Favored     ?     7  176.670     8  0.35    11  0.53  molprobity  1.000  
228  228  pp        -64.4   -37.1  Favored     ?    11  157.840     8  0.76    11  0.72  molprobity  1.000  
229  229  t         -67.4   -44.1  Favored     ?     9  158.350     7  0.84    10  0.92  molprobity  1.000  
230  230  p         -90.2    58.6  Allowed     ?     9  148.540     7  0.86    10  0.98  molprobity  1.000  
231  231  tp60     -103.6   108.1  Favored     ?     8  136.910     9  0.69    12  0.81  molprobity  1.000  
232  232  ?         -61.0   -38.0  Favored     ?     5  144.600     5  0.79     7  1.13  molprobity  1.000  
233  233  ?         -68.6   167.0  Favored     ?     5  171.190     5  0.77     7  0.72  molprobity  1.000  
234  234  m-85       52.3    57.4  Favored     ?     9  148.120    12  0.59    17  0.61  molprobity  1.000  
235  235  Cg_endo       ?       ?  ?           ?     7  149.930     7  0.37     8  0.93  molprobity  1.000  
236  236  ?             ?       ?  ?           ?     4  114.100     5  0.71     7  1.19  molprobity  1.000  
237  237  t         -68.7   150.4  Favored     ?     5  117.780     6  0.71     8  0.55  molprobity  1.000  
238  238  tp        -56.4   -40.9  Favored     ?    11  101.440     8  0.61    11  0.62  molprobity  1.000  
239  239  p         -62.1   -43.0  Favored     ?     7  104.690     7  0.66    10  0.66  molprobity  1.000  
240  240  mt-10     -59.7   -45.6  Favored     ?     6  105.410     9  0.56    12  0.70  molprobity  1.000  
241  241  mm        -61.4   -44.4  Favored     ?    11  100.350     8  0.67    11  0.48  molprobity  1.000  
242  242  tt0       -58.4   -41.3  Favored     ?     6  120.540     9  0.72    12  0.77  molprobity  1.000  
243  243  t-160     -58.7   -44.9  Favored     ?     7  123.710    11  0.59    15  0.76  molprobity  1.000  
244  244  tp        -57.6   -46.6  Favored     ?    11   89.160     8  0.60    11  0.67  molprobity  1.000  
245  245  t         -52.2   -50.8  Favored     ?     9   85.280     7  0.71    10  0.76  molprobity  1.000  
246  246  mt-30     -61.3   -51.4  Favored     ?     8  114.470     9  0.68    12  0.64  molprobity  1.000  
247  247  t         -50.6   -56.3  Favored     ?     5  104.360     6  0.87     8  0.84  molprobity  1.000  
248  248  t         -61.5   -48.1  Favored     ?     9   86.760     7  0.69    10  0.74  molprobity  1.000  
249  249  m         -63.0   -42.5  Favored     ?     5   90.290     6  0.70     8  0.76  molprobity  1.000  
250  250  tttt      -63.7   -47.3  Favored     ?    13  110.120     9  0.50    11  0.75  molprobity  1.000  
251  251  m         -54.3   -46.9  Favored     ?     5  105.230     6  0.82     8  0.73  molprobity  1.000  
252  252  t80       -58.3   -47.3  Favored     ?     9  101.060    13  0.51    18  0.78  molprobity  1.000  
253  253  ttt-85    -55.1   -41.8  Favored     ?    13  113.840    11  0.52    14  0.88  molprobity  1.000  
254  254  mt-10     -71.5   -38.6  Favored     ?     6  126.950     9  0.64    12  0.73  molprobity  1.000  
255  255  p        -106.9    18.4  Favored     ?     7  109.630     7  0.82    10  0.74  molprobity  1.000  
256  256  p         -62.5   -37.3  Favored     ?     5  117.470     6  0.77     8  1.11  molprobity  1.000  
257  257  tt0        88.7   -23.9  Allowed     ?     8  112.230     9  0.66    12  0.57  molprobity  1.000  
258  258  mt       -154.0   157.2  Favored     ?    11  122.590     8  0.58    11  0.69  molprobity  1.000  
259  259  mtp180    -96.2   125.7  Favored     ?    13  141.010    11  0.52    14  0.80  molprobity  1.000  
260  260  tp        -48.7   -49.1  Favored     ?    11  118.210     8  0.57    11  0.73  molprobity  1.000  
261  261  tt0       -41.4   -58.4  Allowed     ?     6  130.470     9  0.58    12  0.69  molprobity  1.000  
262  262  m-20      -56.6   -52.6  Favored     ?     4  117.270     8  0.61    11  0.74  molprobity  1.000  
263  263  mt        -56.3   -48.3  Favored     ?    11  120.560     8  0.68    11  0.58  molprobity  1.000  
264  264  mt        -59.6   -44.5  Favored     ?    11  120.630     8  0.60    11  0.66  molprobity  1.000  
265  265  ttp-105   -62.4   -44.0  Favored     ?    13  147.640    11  0.57    14  0.94  molprobity  1.000  
266  266  mm-40     -67.7   -13.0  Favored     ?     8  115.070     9  0.56    12  0.76  molprobity  1.000  
267  267  mtt180    -52.4   -37.6  Favored     ?    13  125.630    11  0.57    14  0.84  molprobity  1.000  
268  268  p         -62.3   -39.3  Favored     ?     5  124.840     6  0.77     8  0.84  molprobity  1.000  
269  269  m-20      -69.2   117.6  Favored     ?     6  127.460     8  0.67    11  1.09  molprobity  1.000  
270  270  mt       -133.7   148.4  Favored     ?    11  106.300     8  0.70    11  0.62  molprobity  1.000  
271  271  m-85      -65.8   130.9  Favored     ?     9  100.780    12  0.55    16  0.60  molprobity  1.000  
272  272  p         -66.2   152.3  Favored     ?     5  115.120     6  0.80     8  0.60  molprobity  1.000  
273  273  tpp85     -52.3   -43.6  Favored     ?    13  137.060    11  0.55    14  0.87  molprobity  1.000  
274  274  mp0       -59.1   -47.3  Favored     ?     6  141.200     9  0.55    12  0.58  molprobity  1.000  
275  275  mt-10     -60.2   -45.4  Favored     ?     6  119.150     9  0.75    12  0.71  molprobity  1.000  
276  276  t         -58.0   -52.2  Favored     ?     9  108.160     7  0.73    10  0.76  molprobity  1.000  
277  277  p         -58.3   -40.2  Favored     ?     7  108.980     7  0.65    10  0.86  molprobity  1.000  
278  278  ?         -53.3   -51.7  Favored     ?     3  102.650     4  1.00     5  0.72  molprobity  1.000  
279  279  m-85      -62.4   -39.6  Favored     ?     9   95.620    13  0.52    18  0.41  molprobity  1.000  
280  280  mt-30     -64.7   -38.1  Favored     ?     8   91.740     9  0.57    12  0.73  molprobity  1.000  
281  281  mtm180    -68.6   -28.7  Favored     ?    13  103.680    11  0.55    14  0.90  molprobity  1.000  
282  282  mttm      -56.7   149.3  Favored     ?    13   96.760     9  0.61    11  0.57  molprobity  1.000  
283  283  t         -67.3   148.7  Favored     ?     5  100.250     6  0.82     8  0.88  molprobity  1.000  
284  284  ptp       -54.9   -41.1  Favored     ?     9  102.220     8  0.63    10  0.92  molprobity  1.000  
285  285  m95       -61.6   -46.6  Favored     ?    10  102.200    16  0.45    23  0.45  molprobity  1.000  
286  286  tt0       -59.5   -49.9  Favored     ?     6  122.010     9  0.62    12  0.56  molprobity  1.000  
287  287  mmm       -59.5   -47.3  Favored     ?     9  102.110     8  0.50    10  0.74  molprobity  1.000  
288  288  m95       -58.4   -46.5  Favored     ?    10  128.020    16  0.53    23  0.61  molprobity  1.000  
289  289  mt-10     -58.2   -52.4  Favored     ?     6  133.610     9  0.62    12  0.56  molprobity  1.000  
290  290  mtt180    -53.3   -53.5  Favored     ?    13  110.590    11  0.50    14  0.74  molprobity  1.000  
291  291  m         -59.9   -48.7  Favored     ?     5   97.610     6  0.78     8  0.79  molprobity  1.000  
292  292  ?         -59.2   -41.9  Favored     ?     5  102.400     5  0.74     7  0.89  molprobity  1.000  
293  293  t-80      -54.2   -51.5  Favored     ?     7  118.680    11  0.56    15  0.75  molprobity  1.000  
294  294  m-70      -59.7   -50.1  Favored     ?     7  120.820    11  0.54    15  0.63  molprobity  1.000  
295  295  mp        -57.0   -51.6  Favored     ?    11  108.670     8  0.70    11  0.45  molprobity  1.000  
296  296  p         -62.1   -45.6  Favored     ?     7  126.380     7  0.73    10  0.82  molprobity  1.000  
297  297  tt0       -48.8   -53.5  Favored     ?     6  112.330     9  0.68    12  0.70  molprobity  1.000  
298  298  ?         -59.6   -45.7  Favored     ?     5  113.080     5  0.67     7  0.69  molprobity  1.000  
299  299  mt        -57.4   -40.1  Favored     ?    11  115.170     8  0.66    11  0.78  molprobity  1.000  
300  300  mt-30     -53.1   -54.0  Favored     ?     8  140.830     9  0.81    12  0.94  molprobity  1.000  
301  301  m-85      -55.4   -48.9  Favored     ?     9  109.000    13  0.52    18  0.45  molprobity  1.000  
302  302  t         -55.6   -45.2  Favored     ?     9   99.250     7  0.69    10  0.52  molprobity  1.000  
303  303  t         -62.7   -43.3  Favored     ?     9  133.550     7  0.71    10  0.77  molprobity  1.000  
304  304  mt-10     -60.3   -41.4  Favored     ?     6  147.150     9  0.62    12  0.66  molprobity  1.000  
305  305  t80       -56.1   -47.9  Favored     ?     9  104.650    12  0.53    16  0.50  molprobity  1.000  
306  306  ?         -60.3   -44.7  Favored     ?     5  111.360     5  0.74     7  0.72  molprobity  1.000  
307  307  ttpt      -57.9   -44.9  Favored     ?    13  135.710     9  0.65    11  0.99  molprobity  1.000  
308  308  mtt180    -77.1   -16.0  Favored     ?    13  113.920    11  0.50    14  0.83  molprobity  1.000  
309  309  mt        -63.9   137.5  Favored     ?    11  114.470     8  0.70    11  0.72  molprobity  1.000  
310  310  m         -65.6   125.9  Favored     ?     5  123.060     6  0.84     8  0.54  molprobity  1.000  
311  311  ?          96.2   -17.8  Favored     ?     3  141.400     4  0.72     5  0.99  molprobity  1.000  
312  312  t80       -59.7   -46.0  Favored     ?     9  139.530    12  0.53    16  0.51  molprobity  1.000  
313  313  mmm       -61.9   -38.4  Favored     ?     9  142.100     8  0.59    10  0.66  molprobity  1.000  
314  314  mp0       -62.0   -29.8  Favored     ?     6  151.120     9  0.70    12  0.61  molprobity  1.000  
315  315  mt        -66.0   149.3  Favored     ?    11  148.290     8  0.72    11  0.79  molprobity  1.000  
316  316  t         -53.6   142.2  Favored     ?     5  134.010     6  0.63     8  0.82  molprobity  1.000  
317  317  mm-40     -54.1   -47.6  Favored     ?     8  138.970     9  0.62    12  0.66  molprobity  1.000  
318  318  t-20      -50.6   -50.7  Favored     ?     6  123.770     8  0.58    11  0.81  molprobity  1.000  
319  319  m-20      -64.1   -42.6  Favored     ?     4  115.600     8  0.69    11  0.79  molprobity  1.000  
320  320  mt-30     -56.4   -56.7  Favored     ?     8  113.100     9  0.63    12  0.69  molprobity  1.000  
321  321  mm        -58.8   -46.7  Favored     ?    11  110.620     8  0.63    11  0.64  molprobity  1.000  
322  322  t         -52.7   -54.7  Favored     ?     9  108.600     7  0.74    10  0.74  molprobity  1.000  
323  323  mt        -59.1   -49.1  Favored     ?    11  113.930     8  0.62    11  0.65  molprobity  1.000  
324  324  mt        -60.2   -53.7  Favored     ?    11   99.400     8  0.61    11  0.60  molprobity  1.000  
325  325  tttt      -43.7   -58.3  Favored     ?    13  121.040     9  0.61    11  0.89  molprobity  1.000  
326  326  ?         -66.8   -43.5  Favored     ?     5  112.470     5  0.66     7  0.77  molprobity  1.000  
327  327  ?         -94.9   -31.0  Favored     ?     3  102.600     4  0.65     5  1.09  molprobity  1.000  
328  328  ?         -49.7   -57.9  Favored     ?     5  101.290     5  0.81     7  0.63  molprobity  1.000  
329  329  tpp       -57.4   -46.2  Favored     ?     9  133.450     8  0.73    10  0.67  molprobity  1.000  
330  330  mt-10     -55.0   -44.0  Favored     ?     6   96.110     9  0.65    12  0.69  molprobity  1.000  
331  331  t         -61.7   -45.2  Favored     ?     9   97.250     7  0.79    10  0.56  molprobity  1.000  
332  332  t         -60.4   -42.4  Favored     ?     9  107.310     7  0.77    10  0.63  molprobity  1.000  
333  333  tp        -57.7   -42.5  Favored     ?    11  107.890     8  0.83    11  0.64  molprobity  1.000  
334  334  t         -64.4   -48.1  Favored     ?     9   90.820     7  0.67    10  0.72  molprobity  1.000  
335  335  mtt180    -62.3   -23.3  Favored     ?    13   94.970    11  0.51    14  1.01  molprobity  1.000  
336  336  mtp       -62.9   -28.0  Favored     ?     9   97.820     8  0.65    10  0.90  molprobity  1.000  
337  337  p         -52.8   -35.6  Favored     ?     5   86.640     6  0.78     8  0.70  molprobity  1.000  
338  338  mtp-105   -60.3   -44.7  Favored     ?    13   94.650    11  0.51    14  0.86  molprobity  1.000  
339  339  ?         -68.8   -36.3  Favored     ?     5   81.170     5  0.66     7  0.72  molprobity  1.000  
340  340  t80       -67.6   130.9  Favored     ?     9   93.050    13  0.52    18  0.48  molprobity  1.000  
341  341  t30      -107.9   113.9  Favored     ?     6  101.490     8  0.62    11  0.66  molprobity  1.000  
342  342  ?         -65.4   -36.9  Favored     ?     5   97.200     5  0.67     7  0.76  molprobity  1.000  
343  343  p30       -65.5   -47.7  Favored     ?     4  115.750     8  0.68    11  1.19  molprobity  1.000  
344  344  p30       -99.7    -1.8  Favored     ?     6  101.290     8  0.63    11  0.68  molprobity  1.000  
345  345  mtt180     51.0    47.9  Favored     ?    13  107.930    11  0.58    14  1.06  molprobity  1.000  
346  346  p        -118.2   157.5  Favored     ?     7   95.150     7  0.61    10  0.62  molprobity  1.000  
347  347  p        -127.3   148.8  Favored     ?     9   95.820     7  0.72    10  0.80  molprobity  1.000  
348  348  t80       -76.6   112.3  Favored     ?     9   97.620    12  0.53    16  0.54  molprobity  1.000  
349  349  t80      -130.8   122.5  Favored     ?     9   97.320    12  0.58    16  0.60  molprobity  1.000  
350  350  mt-10      46.0    49.6  Favored     ?     6  109.940     9  0.66    12  0.48  molprobity  1.000  
351  351  ?          93.3     2.8  Favored     ?     3  110.050     4  0.91     5  1.21  molprobity  1.000  
352  352  mttt     -149.4   164.0  Favored     ?    13  128.590     9  0.57    11  0.66  molprobity  1.000  
353  353  m-85      -86.6   132.5  Favored     ?     9  111.200    13  0.52    18  0.65  molprobity  1.000  
354  354  ?        -141.9   151.1  Favored     ?     3  104.510     4  0.92     5  0.95  molprobity  1.000  
355  355  ?         -85.1  -172.5  Favored     ?     3   99.480     4  0.88     5  0.86  molprobity  1.000  
356  356  mtp       -57.6   -32.0  Favored     ?     9  102.700     8  0.72    10  0.93  molprobity  1.000  
357  357  pm0       -58.0   -31.4  Favored     ?     6  116.680     9  0.51    12  0.77  molprobity  1.000  
358  358  tp        -52.3   -38.3  Favored     ?    11   96.460     8  0.68    11  0.57  molprobity  1.000  
359  359  m-85     -100.5    27.8  Favored     ?     9   88.070    12  0.58    16  0.56  molprobity  1.000  
360  360  ttm180    -58.1   -43.3  Favored     ?    13  106.060    11  0.52    14  0.81  molprobity  1.000  
361  361  ?         -52.3   -44.5  Favored     ?     5   83.020     5  0.61     7  0.93  molprobity  1.000  
362  362  mt        -57.3   -37.4  Favored     ?    11   77.100     8  0.74    11  0.55  molprobity  1.000  
363  363  ?          98.3   -27.2  Favored     ?     3   88.840     4  0.82     5  0.98  molprobity  1.000  
364  364  p         -86.0    71.3  Favored     ?     5   99.880     6  0.79     8  0.72  molprobity  1.000  
365  365  p         -59.8   -38.8  Favored     ?     5  103.950     6  0.83     8  0.82  molprobity  1.000  
366  366  mt-10     -62.9   -50.7  Favored     ?     6  109.530     9  0.70    12  0.48  molprobity  1.000  
367  367  tp        -56.3   -50.9  Favored     ?    11   88.630     8  0.60    11  0.51  molprobity  1.000  
368  368  mm        -59.7   -49.3  Favored     ?    11   91.670     8  0.68    11  0.59  molprobity  1.000  
369  369  p         -56.4   -46.5  Favored     ?     5   94.160     6  0.82     8  0.78  molprobity  1.000  
370  370  m         -60.1   -45.1  Favored     ?     5   91.760     6  0.93     8  0.76  molprobity  1.000  
371  371  mt        -60.2   -46.5  Favored     ?    11   95.100     8  0.68    11  0.58  molprobity  1.000  
372  372  m-85      -59.4   -48.2  Favored     ?     9   86.890    12  0.48    16  0.55  molprobity  1.000  
373  373  m-20      -58.4   -50.3  Favored     ?     4  100.130     8  0.68    11  0.66  molprobity  1.000  
374  374  t80       -54.3   -50.3  Favored     ?     9   87.970    12  0.49    16  0.45  molprobity  1.000  
375  375  m         -63.2   -38.6  Favored     ?     5   94.230     6  1.03     8  0.81  molprobity  1.000  
376  376  t60       -55.4   -51.4  Favored     ?     7  106.190    11  0.64    15  0.59  molprobity  1.000  
377  377  p         -57.2   -49.4  Favored     ?     5   93.260     6  0.81     8  0.62  molprobity  1.000  
378  378  mt        -65.3   -39.3  Favored     ?    11   88.240     8  0.63    11  0.68  molprobity  1.000  
379  379  t         -62.8   -40.0  Favored     ?     5  108.530     6  0.92     8  0.83  molprobity  1.000  
380  380  ?         -56.8   -38.2  Favored     ?     5  107.800     5  0.70     7  0.85  molprobity  1.000  
381  381  mp        -68.3   -15.0  Favored     ?    11   97.060     8  0.78    11  0.59  molprobity  1.000  
382  382  m80        49.9    47.6  Favored     ?     7  100.230    11  0.57    15  0.68  molprobity  1.000  
383  383  m-85      -44.4   124.2  Favored     ?     9   91.770    12  0.51    16  0.77  molprobity  1.000  
384  384  t         -64.0   149.6  Favored     ?     5   90.230     6  0.74     8  0.71  molprobity  1.000  
385  385  mm-40     -54.0   -44.0  Favored     ?     6  106.640     9  0.61    12  0.71  molprobity  1.000  
386  386  m-20      -63.8   -35.6  Favored     ?     4   88.320     8  0.54    11  0.63  molprobity  1.000  
387  387  mt-10     -70.0   -46.2  Favored     ?     6   87.810     9  0.91    12  0.56  molprobity  1.000  
388  388  mt        -54.9   -50.6  Favored     ?    11   86.190     8  0.61    11  0.73  molprobity  1.000  
389  389  ?         -51.0   -55.0  Favored     ?     5   80.700     5  0.74     7  0.62  molprobity  1.000  
390  390  mt        -64.0   -42.8  Favored     ?    11   83.870     8  0.61    11  0.59  molprobity  1.000  
391  391  t80       -64.7   -51.8  Favored     ?     9   89.620    13  0.41    18  0.59  molprobity  1.000  
392  392  p         -55.5   -45.8  Favored     ?     7   82.010     7  0.67    10  0.83  molprobity  1.000  
393  393  ?         -56.8   -48.6  Favored     ?     5   91.030     5  0.67     7  0.72  molprobity  1.000  
394  394  mt        -62.4   -40.8  Favored     ?    11   96.910     8  0.71    11  0.57  molprobity  1.000  
395  395  t         -53.5   -56.1  Favored     ?     9   93.800     7  0.85    10  0.87  molprobity  1.000  
396  396  mt        -55.9   -53.7  Favored     ?    11   82.930     8  0.74    11  0.64  molprobity  1.000  
397  397  mt        -93.0    93.3  Favored     ?    11   77.630     8  0.67    11  0.87  molprobity  1.000  
398  398  t30      -135.4   124.0  Favored     ?     6   97.620     8  0.54    11  0.70  molprobity  1.000  
399  399  ?         -68.1   -31.6  Favored     ?     5  108.470     5  0.81     7  0.57  molprobity  1.000  
400  400  m80       -69.0   -23.3  Favored     ?     7  119.370    11  0.51    15  0.83  molprobity  1.000  
401  401  mmt180    -49.3   124.6  Favored     ?    13  124.840    11  0.60    15  0.98  molprobity  1.000  
402  402  Cg_exo    -73.3   156.5  Favored     ?     7  113.230     8  0.41    11  0.60  molprobity  1.000  
403  403  ?          96.7    -4.3  Favored     ?     3  125.240     4  0.83     5  0.71  molprobity  1.000  
404  404  mt        -76.0   129.5  Favored     ?    11  119.440     8  0.54    11  0.72  molprobity  1.000  
405  405  mt-30     -90.8   -55.5  Favored     ?     8  123.770     9  0.52    12  0.67  molprobity  1.000  
406  406  mt-10     -85.2    61.5  Favored     ?     6  118.380     9  0.79    12  0.54  molprobity  1.000  
407  407  tttt      -55.1   -48.0  Favored     ?    13  118.630     9  0.58    11  0.69  molprobity  1.000  
408  408  mtm180    -52.9   -45.9  Favored     ?    13  138.950    11  0.46    14  0.80  molprobity  1.000  
409  409  mttp      -62.0   -44.8  Favored     ?    13  122.450     9  0.70    11  0.63  molprobity  1.000  
410  410  m         -69.1   -41.3  Favored     ?     9  111.040     7  0.76    10  0.91  molprobity  1.000  
411  411  mt-10     -50.0   -50.3  Favored     ?     6  109.850     9  0.67    12  0.69  molprobity  1.000  
412  412  mm-40     -57.0   -50.0  Favored     ?     8  112.090     9  0.70    12  0.94  molprobity  1.000  
413  413  mp        -59.5   -48.1  Favored     ?    11  101.000     8  0.54    11  0.75  molprobity  1.000  
414  414  tt0       -56.3   -55.1  Favored     1     8   94.270     9  0.56    12  0.67  molprobity  1.000  
415  415  m-85      -57.9   -45.2  Favored     ?     9   88.930    13  0.49    18  0.76  molprobity  1.000  
416  416  m-20      -62.0   -43.7  Favored     ?     6   83.440     8  0.58    11  0.83  molprobity  1.000  
417  417  mt        -66.8   -38.2  Favored     ?    11   88.100     8  0.51    11  0.74  molprobity  1.000  
418  418  mt-10     -56.0   -53.3  Favored     ?     6   84.220     9  0.91    12  0.65  molprobity  1.000  
419  419  tp        -55.8   -46.5  Favored     ?    11   82.960     8  0.56    11  0.60  molprobity  1.000  
420  420  ?         -57.5   -49.5  Favored     ?     5   73.670     5  0.66     7  0.64  molprobity  1.000  
421  421  t80       -56.7   -54.2  Favored     ?     9   79.940    12  0.47    16  0.61  molprobity  1.000  
422  422  m80       -54.6   -49.6  Favored     ?     7   88.140    11  0.61    15  0.50  molprobity  1.000  
423  423  t60       -59.0   -48.4  Favored     ?     7   80.580    11  0.55    15  0.54  molprobity  1.000  
424  424  t-80      -66.3   -38.3  Favored     ?     7   73.960    11  0.53    15  0.63  molprobity  1.000  
425  425  mt        -61.8   -43.6  Favored     ?    11   82.240     8  0.67    11  0.61  molprobity  1.000  
426  426  m         -56.3   -49.4  Favored     ?     5   86.210     6  0.83     8  0.97  molprobity  1.000  
427  427  mttt      -63.5   -40.5  Favored     ?    13   98.630     9  0.58    11  0.62  molprobity  1.000  
428  428  p         -90.8     0.4  Favored     ?     7   90.300     7  0.76    10  0.60  molprobity  1.000  
429  429  m-70       54.1    44.1  Favored     ?     7   92.850    11  0.55    15  0.65  molprobity  1.000  
430  430  mmm180   -119.5    28.7  Favored     ?    13   91.960    11  0.55    14  0.58  molprobity  1.000  
431  431  mp0       -57.9   -28.3  Favored     ?     8  105.690     9  0.52    12  0.88  molprobity  1.000  
432  432  m         -47.5   -46.0  Favored     ?     5  110.950     6  0.91     8  0.80  molprobity  1.000  
433  433  pt        -65.4   -28.2  Favored     ?    11   90.320     8  0.70    11  0.69  molprobity  1.000  
434  434  mt        -47.5   -53.2  Favored     ?    11   95.110     8  0.66    11  0.53  molprobity  1.000  
435  435  ?         -61.7   -39.3  Favored     ?     5   96.550     5  0.64     7  0.71  molprobity  1.000  
436  436  mttt      -77.5   -12.5  Favored     ?    13   98.280     9  0.57    11  0.53  molprobity  1.000  
437  437  mt        -64.0   151.2  Favored     ?    11   90.020     8  0.63    12  0.45  molprobity  1.000  
438  438  Cg_exo    -63.5   144.1  Favored     ?     7  109.520     8  0.41    12  0.73  molprobity  1.000  
439  439  Cg_endo   -64.0   150.4  Favored     ?     7  122.020     8  0.29    11  0.68  molprobity  1.000  
440  440  tttt      -53.6   -47.1  Favored     ?    13  138.070     9  0.85    11  0.80  molprobity  1.000  
441  441  ?         -48.1   -49.4  Favored     ?     3  118.560     4  0.73     5  1.13  molprobity  1.000  
442  442  tttt      -58.4   -45.1  Favored     ?    13  139.780     9  0.61    11  0.64  molprobity  1.000  
443  443  mt        -57.3   -49.4  Favored     ?    11  109.450     8  0.70    11  0.62  molprobity  1.000  
444  444  ttp-105   -64.6   -44.7  Favored     ?    13  152.580    11  0.59    14  0.96  molprobity  1.000  
445  445  t         -50.6   -56.3  Favored     ?     5  119.150     6  0.91     8  0.64  molprobity  1.000  
446  446  mp        -61.1   -42.4  Favored     ?    11  126.340     8  0.58    11  0.68  molprobity  1.000  
447  447  m         -65.5   -45.0  Favored     ?     5  127.080     6  0.72     8  0.93  molprobity  1.000  
448  448  m         -52.2   -54.3  Favored     ?     5  134.750     6  0.91     8  0.94  molprobity  1.000  
449  449  mt-30     -59.1   -47.4  Favored     ?     8  129.890     9  0.73    12  0.62  molprobity  1.000  
450  450  t-80      -55.6   -53.4  Favored     ?     7  134.640    11  0.61    15  0.55  molprobity  1.000  
451  451  t         -61.1   -43.5  Favored     ?     9  147.060     7  0.80    10  0.86  molprobity  1.000  
452  452  tt0       -51.8   -51.5  Favored     ?     6  148.860     9  0.68    12  0.62  molprobity  1.000  
453  453  mmt180    -64.1   -42.4  Favored     ?    13  140.960    11  0.56    14  0.77  molprobity  1.000  
454  454  mt        -60.1   -42.5  Favored     ?    11  158.570     8  0.68    11  0.63  molprobity  1.000  
455  455  tt0       -65.0   -36.8  Favored     ?     8  180.160     9  0.68    12  0.61  molprobity  1.000  
456  456  mt        -59.1   -46.4  Favored     ?    11  164.520     8  0.74    11  0.72  molprobity  1.000  
457  457  m-85      -91.3     3.3  Favored     ?     9  154.880    12  0.59    16  0.64  molprobity  1.000  
458  458  tp60          ?       ?  ?           ?     8  157.750     8  0.60     9  0.55  molprobity  1.000  
459  459  ?             ?       ?  ?           ?     ?   60.520     ?     ?     ?     ?  ?           1.000  
460  460  ?             ?       ?  ?           ?     ?   48.180     ?     ?     ?     ?  ?           1.000  
461  461  ?             ?       ?  ?           ?     ?   75.060     ?     ?     ?     ?  ?           1.000  
462  462  ?             ?       ?  ?           ?     ?   59.990     ?     ?     ?     ?  ?           1.000  
463  463  ?             ?       ?  ?           ?     ?   37.000     ?     ?     ?     ?  ?           1.000  
464  464  ?             ?       ?  ?           ?     ?   63.490     ?     ?     ?     ?  ?           1.000  
465  465  ?             ?       ?  ?           ?     ?   36.170     ?     ?     ?     ?  ?           1.000  
466  466  ?             ?       ?  ?           ?     ?   65.260     ?     ?     ?     ?  ?           1.000  
467  467  ?             ?       ?  ?           ?     ?   93.690     ?     ?     ?     ?  ?           1.000  
468  468  ?             ?       ?  ?           ?     ?   53.590     ?     ?     ?     ?  ?           1.000  
469  469  ?             ?       ?  ?           ?     ?   70.130     ?     ?     ?     ?  ?           1.000  
470  470  ?             ?       ?  ?           ?     ?   68.260     ?     ?     ?     ?  ?           1.000  
471  471  ?             ?       ?  ?           ?     ?   44.370     ?     ?     ?     ?  ?           1.000  
472  472  ?             ?       ?  ?           ?     ?   45.130     ?     ?     ?     ?  ?           1.000  
473  473  ?             ?       ?  ?           ?     ?   48.410     ?     ?     ?     ?  ?           1.000  
474  474  ?             ?       ?  ?           ?     ?   44.680     ?     ?     ?     ?  ?           1.000  
475  475  ?             ?       ?  ?           ?     ?   72.680     ?     ?     ?     ?  ?           1.000  
#
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   23  HD13   1  0.44  1.99  
 2   28  HD11   1  0.44  1.99  
 3   89  HD23   2  0.42  1.94  
 4   89  HA     2  0.42  1.94  
 5  226  HB3    3  0.41  2.02  
 6  228  O      4  0.58  2.03  
 7  229  HG23   3  0.41  2.02  
 8  230  HA     5  0.48  1.95  
 9  231  HB2    4  0.58  2.03  
10  234  N      6  0.47  2.30  
11  235  HD3    6  0.47  2.30  
12  241  HG13   7  0.58  1.86  
13  245  HG22   8  0.43  2.00  
14  258  HD13   9  0.50  1.93  
15  263  HD21   9  0.50  1.93  
16  303  HG11   5  0.48  1.95  
17  333  HD23  10  0.44  1.98  
18  383  HB3   11  0.41  2.03  
19  388  HG13  11  0.41  2.03  
20  407  O     12  0.41  2.21  
21  410  HG22  12  0.41  2.21  
22  419  HD23   7  0.58  1.86  
23  420  HB1    8  0.43  2.00  
24  443  HD23  10  0.44  1.98  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.897  0.238  -0.138  
  2    2   6  0.938  0.212  -0.196  
  3    3   8  0.953  0.205  -0.868  
  4    4   7  0.945  0.244  -0.056  
  5    5   9  0.912  0.197  -0.674  
  6    6   8  0.985  0.190  -0.922  
  7    7   9  0.933  0.198  -0.666  
  8    8  10  0.924  0.207  -0.495  
  9    9   8  0.980  0.226  -0.726  
 10   10   7  0.981  0.184  -0.849  
 11   11   9  0.954  0.224  -0.423  
 12   12   6  0.964  0.113  -0.984  
 13   13   7  0.978  0.171  -0.936  
 14   14   6  0.955  0.203  -0.251  
 15   15   9  0.944  0.263  -0.435  
 16   16   6  0.966  0.194  -0.339  
 17   17  12  0.958  0.218  -0.694  
 18   18  11  0.919  0.236  -0.563  
 19   19   9  0.870  0.259  -0.233  
 20   20   7  0.945  0.171  -0.653  
 21   21   6  0.945  0.118  -0.939  
 22   22   9  0.939  0.151  -0.979  
 23   23   8  0.946  0.255  -0.531  
 24   24  11  0.879  0.257  -0.426  
 25   25   8  0.969  0.248  -0.578  
 26   26   9  0.849  0.251  -0.289  
 27   27   8  0.921  0.266   0.157  
 28   28   8  0.958  0.253  -0.545  
 29   29   8  0.974  0.212  -0.820  
 30   30  11  0.875  0.283  -0.255  
 31   31   9  0.922  0.316   0.277  
 32   32  11  0.900  0.261  -0.399  
 33   33   6  0.920  0.222  -0.116  
 34   34   8  0.912  0.331   0.733  
 35   35   8  0.929  0.282  -0.289  
 36   36  11  0.928  0.342   0.022  
 37   37   6  0.948  0.202  -0.275  
 38   38  11  0.893  0.202  -0.786  
 39   39   9  0.909  0.224  -0.482  
 40   40   9  0.843  0.218  -0.524  
 41   41   7  0.968  0.264  -0.313  
 42   42   7  0.970  0.135  -0.948  
 43   43   4  0.989  0.139  -0.696  
 44   44  12  0.943  0.336   0.140  
 45   45   9  0.948  0.182  -0.743  
 46   46  11  0.933  0.207  -0.753  
 47   47   9  0.942  0.286  -0.287  
 48   48   6  0.969  0.219  -0.140  
 49   49   8  0.959  0.302   0.051  
 50   50  14  0.928  0.358   0.363  
 51   51   9  0.928  0.190  -0.723  
 52   52   8  0.984  0.248  -0.335  
 53   53  14  0.944  0.299  -0.069  
 54   54   9  0.898  0.253  -0.275  
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101  101   8  0.934  0.293  -0.014  
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108  108   8  0.956  0.126  -0.993  
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111  111   7  0.977  0.186  -0.530  
112  112   7  0.972  0.228  -0.554  
113  113  11  0.918  0.306  -0.218  
114  114  11  0.951  0.286  -0.352  
115  115   9  0.920  0.259  -0.233  
116  116   4  0.950  0.292   0.387  
117  117   9  0.911  0.250  -0.518  
118  118  12  0.944  0.308  -0.058  
119  119   4  0.939  0.306   0.486  
120  120   4  0.956  0.263   0.182  
121  121   8  0.946  0.225  -0.499  
122  122   9  0.943  0.211  -0.574  
123  123   8  0.968  0.384   0.336  
124  124  11  0.960  0.294  -0.298  
125  125  11  0.916  0.202  -0.786  
126  126   5  0.974  0.252  -0.038  
127  127   8  0.984  0.221  -0.760  
128  128   4  0.953  0.139  -0.696  
129  129   6  0.922  0.208  -0.210  
130  130   6  0.962  0.087  -1.191  
131  131   9  0.946  0.151  -1.001  
132  132   8  0.964  0.325  -0.061  
133  133   8  0.992  0.298  -0.179  
134  134   6  0.938  0.161  -0.602  
135  135   6  0.929  0.215  -0.172  
136  136   8  0.979  0.300  -0.166  
137  137  11  0.984  0.245  -0.625  
138  138   8  0.914  0.171  -0.624  
139  139  11  0.980  0.303  -0.238  
140  140   6  0.967  0.182  -0.435  
141  141  10  0.963  0.173  -0.769  
142  142   6  0.969  0.136  -0.801  
143  143   8  0.980  0.214  -0.807  
144  144   6  0.932  0.165  -0.570  
145  145   5  0.974  0.101  -1.110  
146  146   8  0.982  0.210  -0.834  
147  147  10  0.935  0.172  -0.777  
148  148  11  0.969  0.253  -0.572  
149  149   6  0.971  0.206  -0.244  
150  150   9  0.907  0.269  -0.161  
151  151   8  0.958  0.192  -0.451  
152  152   9  0.962  0.217  -0.531  
153  153   8  0.976  0.272  -0.358  
154  154   5  0.960  0.251  -0.045  
155  155   8  0.985  0.206  -0.861  
156  156  12  0.962  0.208  -0.764  
157  157   7  0.959  0.227  -0.195  
158  158   5  0.975  0.161  -0.684  
159  159   8  0.962  0.210  -0.834  
160  160   7  0.946  0.240  -0.474  
161  161   8  0.956  0.254  -0.538  
162  162   8  0.972  0.208  -0.798  
163  163   8  0.934  0.213  -0.260  
164  164   5  0.962  0.266   0.061  
165  165  10  0.959  0.139  -1.043  
166  166  11  0.865  0.220  -0.668  
167  167   7  0.939  0.211  -0.370  
168  168   4  0.868  0.331   0.663  
169  169   8  0.918  0.514   1.210  
170  170   9  0.820  0.419   1.062  
171  171   9  0.912  0.272  -0.140  
172  172   9  0.926  0.187  -0.921  
173  173  11  0.915  0.206  -0.760  
174  174   9  0.912  0.338   0.045  
175  175   7  0.983  0.251  -0.400  
176  176   9  0.923  0.183  -0.773  
177  177   9  0.918  0.272  -0.058  
178  178   8  0.974  0.230  -0.699  
179  179   9  0.951  0.193  -0.660  
180  180  12  0.968  0.190  -0.891  
181  181   8  0.968  0.214  -0.251  
182  182   8  0.985  0.246  -0.592  
183  183   9  0.935  0.192  -0.709  
184  184   8  0.985  0.271  -0.424  
185  185   5  0.986  0.199  -0.414  
186  186  11  0.992  0.236  -0.685  
187  187  10  0.957  0.236  -0.262  
188  188  10  0.952  0.249  -0.157  
189  189  10  0.966  0.216  -0.423  
190  190   8  0.985  0.182  -1.022  
191  191   6  0.961  0.150  -0.680  
192  192   9  0.953  0.275  -0.358  
193  193   7  0.975  0.148  -0.841  
194  194  10  0.938  0.170  -0.793  
195  195  11  0.938  0.200  -0.799  
196  196   9  0.964  0.252  -0.210  
197  197   6  0.956  0.172  -0.514  
198  198   8  0.970  0.223  -0.695  
199  199   8  0.968  0.192  -0.955  
200  200   5  0.972  0.159  -0.698  
201  201   9  0.879  0.264  -0.428  
202  202   8  0.977  0.191  -0.962  
203  203   7  0.936  0.190  -0.531  
204  204   7  0.932  0.131  -0.985  
205  205   9  0.873  0.241  -0.576  
206  206   4  0.939  0.149  -0.625  
207  207   9  0.901  0.319  -0.076  
208  208   8  0.976  0.269  -0.437  
209  209  11  0.859  0.254  -0.445  
210  210   6  0.951  0.159  -0.618  
211  211   8  0.940  0.280  -0.363  
212  212   6  0.947  0.287   0.429  
213  213   6  0.903  0.366   1.030  
214  214   9  0.818  0.358   0.597  
215  215  10  0.934  0.332   0.511  
216  216   7  0.961  0.291  -0.132  
217  217   9  0.842  0.251  -0.289  
218  218  11  0.829  0.314  -0.052  
219  219   8  0.962  0.248  -0.578  
220  220   9  0.817  0.407   0.970  
221  221   8  0.829  0.649   2.233  
222  222  11  0.943  0.318  -0.138  
223  223   9  0.707  0.439   1.214  
224  224  10  0.818  0.491   1.791  
225  225   8  0.873  0.376   0.282  
226  226  10  0.849  0.322   0.431  
227  227   7  0.882  0.283   0.183  
228  228   8  0.817  0.488   1.126  
229  229   7  0.766  0.452   0.946  
230  230   7  0.770  0.376   0.437  
231  231   9  0.844  0.204  -0.576  
232  232   5  0.856  0.261   0.026  
233  233   5  0.757  0.269   0.082  
234  234  11  0.681  0.328  -0.071  
235  235   7  0.896  0.211  -0.370  
236  236   5  0.806  0.262   0.033  
237  237   6  0.892  0.160  -0.610  
238  238   8  0.982  0.167  -1.123  
239  239   7  0.942  0.146  -0.858  
240  240   9  0.934  0.164  -0.908  
241  241   8  0.983  0.223  -0.695  
242  242   9  0.920  0.221  -0.503  
243  243  10  0.901  0.246  -0.181  
244  244   8  0.986  0.166  -1.130  
245  245   7  0.984  0.203  -0.721  
246  246   9  0.969  0.173  -0.812  
247  247   6  0.942  0.213  -0.188  
248  248   7  0.982  0.217  -0.628  
249  249   6  0.944  0.219  -0.121  
250  250   9  0.928  0.249  -0.524  
251  251   6  0.976  0.198  -0.307  
252  252  12  0.959  0.196  -0.849  
253  253  11  0.930  0.229  -0.609  
254  254   9  0.897  0.238  -0.382  
255  255   7  0.942  0.168  -0.678  
256  256   6  0.939  0.131  -0.833  
257  257   9  0.943  0.145  -1.025  
258  258   8  0.959  0.198  -0.915  
259  259  11  0.876  0.217  -0.688  
260  260   8  0.928  0.261  -0.491  
261  261   9  0.909  0.268  -0.169  
262  262   8  0.886  0.210  -0.303  
263  263   8  0.970  0.355   0.141  
264  264   8  0.968  0.245  -0.599  
265  265  11  0.880  0.461   0.912  
266  266   9  0.946  0.307   0.209  
267  267  11  0.878  0.400   0.512  
268  268   6  0.915  0.290   0.425  
269  269   8  0.890  0.291   0.396  
270  270   8  0.961  0.325   0.006  
271  271  11  0.931  0.310  -0.191  
272  272   6  0.947  0.135  -0.809  
273  273  11  0.920  0.218  -0.681  
274  274   9  0.937  0.256  -0.254  
275  275   9  0.930  0.196  -0.681  
276  276   7  0.973  0.175  -0.909  
277  277   7  0.938  0.175  -0.620  
278  278   4  0.979  0.113  -0.880  
279  279  12  0.920  0.336   0.140  
280  280   9  0.965  0.177  -0.781  
281  281  11  0.966  0.176  -0.957  
282  282   9  0.951  0.270  -0.390  
283  283   6  0.973  0.215  -0.172  
284  284   8  0.969  0.223  -0.513  
285  285  14  0.951  0.192  -0.853  
286  286   9  0.917  0.253  -0.275  
287  287   8  0.978  0.248  -0.335  
288  288  14  0.939  0.369   0.444  
289  289   9  0.907  0.282  -0.069  
290  290  11  0.940  0.209  -0.740  
291  291   6  0.970  0.181  -0.429  
292  292   5  0.969  0.189  -0.485  
293  293  10  0.910  0.228  -0.326  
294  294  10  0.907  0.211  -0.463  
295  295   8  0.978  0.190  -0.968  
296  296   7  0.923  0.158  -0.759  
297  297   9  0.900  0.216  -0.538  
298  298   5  0.985  0.150  -0.762  
299  299   8  0.958  0.243  -0.557  
300  300   9  0.870  0.251  -0.218  
301  301  12  0.881  0.259  -0.404  
302  302   7  0.973  0.254  -0.380  
303  303   7  0.948  0.336   0.169  
304  304   9  0.848  0.269  -0.161  
305  305  11  0.964  0.210  -0.859  
306  306   5  0.976  0.252  -0.038  
307  307   9  0.861  0.334   0.020  
308  308  11  0.893  0.191  -0.858  
309  309   8  0.966  0.329  -0.034  
310  310   6  0.945  0.151  -0.682  
311  311   4  0.700  0.259   0.154  
312  312  11  0.915  0.472   0.889  
313  313   8  0.952  0.237  -0.413  
314  314   9  0.903  0.382   0.642  
315  315   8  0.964  0.585   1.688  
316  316   6  0.888  0.213  -0.170  
317  317   9  0.945  0.300   0.155  
318  318   8  0.904  0.329   0.716  
319  319   8  0.940  0.244  -0.024  
320  320   9  0.942  0.299   0.148  
321  321   8  0.982  0.229  -0.654  
322  322   7  0.959  0.332   0.143  
323  323   8  0.941  0.386   0.350  
324  324   8  0.941  0.291  -0.289  
325  325   9  0.881  0.271  -0.383  
326  326   5  0.937  0.211  -0.329  
327  327   4  0.956  0.197  -0.285  
328  328   5  0.980  0.201  -0.400  
329  329   8  0.940  0.391   0.685  
330  330   9  0.932  0.271  -0.147  
331  331   7  0.973  0.264  -0.313  
332  332   7  0.985  0.229  -0.547  
333  333   8  0.967  0.317  -0.114  
334  334   7  0.985  0.260  -0.340  
335  335  11  0.951  0.228  -0.616  
336  336   8  0.971  0.220  -0.534  
337  337   6  0.952  0.176  -0.469  
338  338  11  0.963  0.216  -0.694  
339  339   5  0.967  0.188  -0.493  
340  340  12  0.965  0.303  -0.093  
341  341   8  0.938  0.194  -0.420  
342  342   5  0.966  0.205  -0.372  
343  343   8  0.913  0.148  -0.813  
344  344   8  0.949  0.146  -0.823  
345  345  11  0.924  0.173  -0.976  
346  346   7  0.971  0.194  -0.465  
347  347   7  0.982  0.184  -0.849  
348  348  11  0.854  0.395   0.376  
349  349  11  0.933  0.307  -0.211  
350  350   9  0.908  0.239  -0.375  
351  351   4  0.912  0.334   0.684  
352  352   9  0.900  0.342   0.071  
353  353  12  0.928  0.452   0.959  
354  354   4  0.970  0.159  -0.554  
355  355   4  0.962  0.148  -0.632  
356  356   8  0.951  0.164  -0.934  
357  357   9  0.890  0.293   0.009  
358  358   8  0.967  0.339   0.034  
359  359  11  0.952  0.241  -0.652  
360  360  11  0.922  0.262  -0.393  
361  361   5  0.975  0.228  -0.209  
362  362   8  0.958  0.268  -0.444  
363  363   4  0.926  0.296   0.415  
364  364   6  0.872  0.241   0.057  
365  365   6  0.915  0.195  -0.331  
366  366   9  0.899  0.181  -0.787  
367  367   8  0.940  0.256  -0.525  
368  368   8  0.990  0.162  -1.114  
369  369   6  0.953  0.120  -0.928  
370  370   6  0.941  0.150  -0.689  
371  371   8  0.984  0.241  -0.571  
372  372  11  0.984  0.180  -1.059  
373  373   8  0.950  0.116  -1.076  
374  374  11  0.976  0.225  -0.759  
375  375   6  0.968  0.169  -0.538  
376  376  10  0.935  0.200  -0.552  
377  377   6  0.963  0.133  -0.825  
378  378   8  0.983  0.256  -0.525  
379  379   6  0.914  0.252   0.123  
380  380   5  0.945  0.171  -0.613  
381  381   8  0.975  0.221  -0.760  
382  382  10  0.958  0.156  -0.906  
383  383  11  0.978  0.259  -0.532  
384  384   6  0.957  0.162  -0.594  
385  385   9  0.961  0.214  -0.553  
386  386   8  0.960  0.198  -0.402  
387  387   9  0.977  0.200  -0.652  
388  388   8  0.975  0.236  -0.605  
389  389   5  0.959  0.244  -0.095  
390  390   8  0.986  0.225  -0.733  
391  391  12  0.956  0.286  -0.213  
392  392   7  0.947  0.251   0.002  
393  393   5  0.956  0.204  -0.379  
394  394   8  0.952  0.212  -0.820  
395  395   7  0.963  0.257  -0.360  
396  396   8  0.951  0.281  -0.356  
397  397   8  0.979  0.230  -0.647  
398  398   8  0.938  0.250   0.051  
399  399   5  0.951  0.361   0.735  
400  400  10  0.923  0.244  -0.197  
401  401  11  0.930  0.335   0.086  
402  402   7  0.941  0.305   0.352  
403  403   4  0.960  0.463   1.597  
404  404   8  0.915  0.413   0.531  
405  405   9  0.822  0.355   0.574  
406  406   9  0.890  0.250  -0.297  
407  407   9  0.911  0.320  -0.070  
408  408  11  0.862  0.292  -0.196  
409  409   9  0.908  0.321  -0.063  
410  410   7  0.951  0.237  -0.494  
411  411   9  0.897  0.239  -0.375  
412  412   9  0.896  0.267  -0.096  
413  413   8  0.970  0.253  -0.545  
414  414   9  0.971  0.216  -0.484  
415  415  12  0.959  0.272  -0.312  
416  416   8  0.959  0.147  -0.815  
417  417   8  0.985  0.270  -0.430  
418  418   9  0.947  0.239  -0.375  
419  419   8  0.981  0.256  -0.525  
420  420   5  0.991  0.217  -0.287  
421  421  11  0.969  0.260  -0.525  
422  422  10  0.960  0.192  -0.616  
423  423  10  0.981  0.201  -0.543  
424  424  10  0.963  0.190  -0.632  
425  425   8  0.985  0.188  -0.982  
426  426   6  0.932  0.182  -0.421  
427  427   9  0.924  0.263  -0.435  
428  428   7  0.975  0.183  -0.555  
429  429  10  0.954  0.255  -0.109  
430  430  11  0.966  0.195  -0.832  
431  431   9  0.953  0.180  -0.759  
432  432   6  0.945  0.171  -0.522  
433  433   8  0.964  0.210  -0.784  
434  434   8  0.949  0.195  -0.935  
435  435   5  0.969  0.110  -1.046  
436  436   9  0.944  0.202  -0.825  
437  437   8  0.979  0.206  -0.861  
438  438   7  0.958  0.216  -0.332  
439  439   7  0.954  0.176  -0.639  
440  440   9  0.896  0.254  -0.492  
441  441   4  0.921  0.156  -0.575  
442  442   9  0.891  0.479   0.948  
443  443   8  0.970  0.355   0.141  
444  444  11  0.874  0.468   0.958  
445  445   6  0.950  0.248   0.091  
446  446   8  0.973  0.307  -0.182  
447  447   6  0.933  0.215  -0.154  
448  448   6  0.944  0.303   0.529  
449  449   9  0.927  0.306   0.201  
450  450  10  0.950  0.360   0.737  
451  451   7  0.946  0.390   0.531  
452  452   9  0.905  0.302   0.073  
453  453  11  0.848  0.215  -0.701  
454  454   8  0.904  0.302  -0.215  
455  455   9  0.821  0.446   1.267  
456  456   8  0.836  0.392   0.467  
457  457  11  0.898  0.316  -0.151  
458  458   9  0.809  0.338   0.445  
459  459   1  0.489  1.025       ?  
460  460   1  0.938  0.575       ?  
461  461   1  0.772  0.125       ?  
462  462   1  0.348  0.831       ?  
463  463   1  0.418  0.559       ?  
464  464   1  0.272  0.377       ?  
465  465   1  0.942  0.339       ?  
466  466   1  0.890  1.693       ?  
467  467   1  0.922  0.691       ?  
468  468   1  0.619  0.530       ?  
469  469   1  0.723  0.210       ?  
470  470   1  0.506  0.326       ?  
471  471   1  0.813  0.391       ?  
472  472   1  0.751  0.942       ?  
473  473   1  0.495  0.410       ?  
474  474   1  0.494  1.116       ?  
475  475   1  0.588  1.149       ?  
#
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  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
