data_7WQU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7WQU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7WQU
_pdbx_vrpt_summary.PDB_deposition_date         2022-01-26
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-29
_pdbx_vrpt_summary.report_creation_date        2023-11-22:12:32
_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  "Ferrous iron transport protein B"  
2  polymer  "Probable [Fe-S]-dependent transcriptional repressor"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  4.202  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  45.45  141614     ?     ?  
 2  2  1  79.02    1044  3.80  4.60  
 3  1  2   5.04  138981     ?     ?  
 4  2  2  34.70    1000  3.80  4.60  
 5  1  3  26.05  138945     ?     ?  
 6  2  3  52.93    1007  3.78  4.62  
 7  1  4  76.80  127900     ?     ?  
 8  2  4  68.02    1063  3.70  4.70  
 9  1  5  57.97  130704     ?     ?  
10  2  5  98.45    1005  3.78  4.62  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A    4.59  
 2  4  2  A  1  1  A   33.10  
 3  5  3  A  1  1  A   28.08  
 4  6  3  A  1  1  A   54.22  
 5  7  4  A  1  1  A   71.70  
 6  8  4  A  1  1  A   62.18  
 7  3  2  B  1  2  B    8.16  
 8  4  2  B  1  2  B   41.80  
 9  5  3  B  1  2  B   19.31  
10  6  3  B  1  2  B   47.27  
11  7  4  B  1  2  B  100.00  
12  8  4  B  1  2  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  0.48  0.26  1940  2643  
2  1  2  B  B  0.53  0.26   484   646  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.65
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.69
_pdbx_vrpt_summary_geometry.clashscore                     6.42
_pdbx_vrpt_summary_geometry.num_H_reduce                   2430
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2424
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.26
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3289
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.49
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            108.493
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         134.338
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.39(3.86A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8469
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.288
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.476
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.305
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.898
_pdbx_vrpt_summary_diffraction.twin_fraction             -l,-k,-h:0.044
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.38
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[134.339,134.339,134.339,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 2.70% 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         99.99
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      337
_pdbx_vrpt_summary_diffraction.percent_free_reflections  3.98
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.28
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       4.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        29.38
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
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    2  GLN  A    2  .  ?        ?  
  2  1  1  A    3  LYS  A    3  .  ?        ?  
  3  1  1  A    4  LEU  A    4  .  ?        1  
  4  1  1  A    5  THR  A    5  .  ?        ?  
  5  1  1  A    6  VAL  A    6  .  ?        ?  
  6  1  1  A    7  GLY  A    7  .  ?        ?  
  7  1  1  A    8  LEU  A    8  .  ?        1  
  8  1  1  A    9  ILE  A    9  .  ?        2  
  9  1  1  A   10  GLY  A   10  .  ?        ?  
 10  1  1  A   11  ASN  A   11  .  ?        ?  
 11  1  1  A   12  PRO  A   12  .  ?        ?  
 12  1  1  A   13  ASN  A   13  .  ?        ?  
 13  1  1  A   14  SER  A   14  .  ?        1  
 14  1  1  A   15  GLY  A   15  .  ?        ?  
 15  1  1  A   16  LYS  A   16  .  ?        1  
 16  1  1  A   17  THR  A   17  .  ?        ?  
 17  1  1  A   18  THR  A   18  .  ?        ?  
 18  1  1  A   19  LEU  A   19  .  ?        ?  
 19  1  1  A   20  PHE  A   20  .  ?        ?  
 20  1  1  A   21  ASN  A   21  .  ?        1  
 21  1  1  A   22  GLN  A   22  .  ?        ?  
 22  1  1  A   23  LEU  A   23  .  ?        ?  
 23  1  1  A   24  THR  A   24  .  ?        ?  
 24  1  1  A   25  GLY  A   25  .  ?        1  
 25  1  1  A   26  ALA  A   26  .  ?        ?  
 26  1  1  A   27  ARG  A   27  .  ?        ?  
 27  1  1  A   28  GLN  A   28  .  ?        ?  
 28  1  1  A   29  ARG  A   29  .  ?        ?  
 29  1  1  A   30  VAL  A   30  .  ?        ?  
 30  1  1  A   31  GLY  A   31  .  ?        ?  
 31  1  1  A   32  ASN  A   32  .  ?        ?  
 32  1  1  A   33  TRP  A   33  .  ?        2  
 33  1  1  A   34  ALA  A   34  .  ?        1  
 34  1  1  A   35  GLY  A   35  .  ?        1  
 35  1  1  A   36  VAL  A   36  .  ?        ?  
 36  1  1  A   37  THR  A   37  .  ?        ?  
 37  1  1  A   38  VAL  A   38  .  ?        ?  
 38  1  1  A   39  GLU  A   39  .  ?        ?  
 39  1  1  A   40  ARG  A   40  .  ?        ?  
 40  1  1  A   41  LYS  A   41  .  ?        ?  
 41  1  1  A   42  GLU  A   42  .  ?        ?  
 42  1  1  A   43  GLY  A   43  .  ?        ?  
 43  1  1  A   44  ILE  A   44  .  ?        ?  
 44  1  1  A   45  PHE  A   45  .  ?        ?  
 45  1  1  A   46  ALA  A   46  .  ?        ?  
 46  1  1  A   47  THR  A   47  .  ?        ?  
 47  1  1  A   48  THR  A   48  .  ?        ?  
 48  1  1  A   49  ASP  A   49  .  ?        ?  
 49  1  1  A   50  HIS  A   50  .  ?        ?  
 50  1  1  A   51  GLN  A   51  .  ?        ?  
 51  1  1  A   52  VAL  A   52  .  ?        1  
 52  1  1  A   53  THR  A   53  .  ?        ?  
 53  1  1  A   54  LEU  A   54  .  ?        1  
 54  1  1  A   55  VAL  A   55  .  ?        ?  
 55  1  1  A   56  ASP  A   56  .  ?        ?  
 56  1  1  A   57  LEU  A   57  .  ?        2  
 57  1  1  A   58  PRO  A   58  .  ?        ?  
 58  1  1  A   59  GLY  A   59  .  ?        ?  
 59  1  1  A   60  THR  A   60  .  ?        ?  
 60  1  1  A   61  TYR  A   61  .  ?        ?  
 61  1  1  A   62  SER  A   62  .  ?        ?  
 62  1  1  A   63  LEU  A   63  .  ?        2  
 63  1  1  A   64  THR  A   64  .  ?        ?  
 64  1  1  A   65  THR  A   65  .  ?        ?  
 65  1  1  A   66  ILE  A   66  .  ?        ?  
 66  1  1  A   70  THR  A   70  .  ?        ?  
 67  1  1  A   71  SER  A   71  .  ?        ?  
 68  1  1  A   72  LEU  A   72  .  ?        2  
 69  1  1  A   73  ASP  A   73  .  ?        ?  
 70  1  1  A   74  GLU  A   74  .  ?        1  
 71  1  1  A   75  GLN  A   75  .  ?        1  
 72  1  1  A   76  ILE  A   76  .  ?        ?  
 73  1  1  A   77  ALA  A   77  .  ?        ?  
 74  1  1  A   78  CYS  A   78  .  ?        ?  
 75  1  1  A   79  HIS  A   79  .  ?        ?  
 76  1  1  A   80  TYR  A   80  .  ?        ?  
 77  1  1  A   81  ILE  A   81  .  ?        ?  
 78  1  1  A   82  LEU  A   82  .  ?        ?  
 79  1  1  A   83  SER  A   83  .  ?        ?  
 80  1  1  A   84  GLY  A   84  .  ?        ?  
 81  1  1  A   85  ASP  A   85  .  ?        ?  
 82  1  1  A   86  ALA  A   86  .  ?        ?  
 83  1  1  A   87  ASP  A   87  .  ?        ?  
 84  1  1  A   88  MET  A   88  .  ?        ?  
 85  1  1  A   89  LEU  A   89  .  ?        ?  
 86  1  1  A   90  ILE  A   90  .  ?        ?  
 87  1  1  A   91  ASN  A   91  .  ?        ?  
 88  1  1  A   92  VAL  A   92  .  ?        ?  
 89  1  1  A   93  VAL  A   93  .  ?        ?  
 90  1  1  A   94  ASP  A   94  .  ?        ?  
 91  1  1  A   95  ALA  A   95  .  ?        ?  
 92  1  1  A   96  SER  A   96  .  ?        ?  
 93  1  1  A   97  ASN  A   97  .  ?        ?  
 94  1  1  A   98  LEU  A   98  .  ?        ?  
 95  1  1  A   99  GLU  A   99  .  ?        ?  
 96  1  1  A  100  ARG  A  100  .  ?        ?  
 97  1  1  A  101  ASN  A  101  .  ?        ?  
 98  1  1  A  102  LEU  A  102  .  ?        ?  
 99  1  1  A  103  TYR  A  103  .  ?        ?  
100  1  1  A  104  LEU  A  104  .  ?        3  
101  1  1  A  105  THR  A  105  .  ?        ?  
102  1  1  A  106  LEU  A  106  .  ?        ?  
103  1  1  A  107  GLN  A  107  .  ?        ?  
104  1  1  A  108  LEU  A  108  .  ?        ?  
105  1  1  A  109  LEU  A  109  .  ?        ?  
106  1  1  A  110  GLU  A  110  .  ?        ?  
107  1  1  A  111  LEU  A  111  .  ?        ?  
108  1  1  A  112  GLY  A  112  .  ?        ?  
109  1  1  A  113  ILE  A  113  .  ?        ?  
110  1  1  A  114  PRO  A  114  .  ?        ?  
111  1  1  A  115  CYS  A  115  .  ?        ?  
112  1  1  A  116  VAL  A  116  .  ?        ?  
113  1  1  A  117  VAL  A  117  .  ?        1  
114  1  1  A  118  ALA  A  118  .  ?        ?  
115  1  1  A  119  LEU  A  119  .  ?        1  
116  1  1  A  120  ASN  A  120  .  ?        1  
117  1  1  A  121  MET  A  121  .  ?        ?  
118  1  1  A  122  LEU  A  122  .  ?        ?  
119  1  1  A  123  ASP  A  123  .  ?        ?  
120  1  1  A  124  ILE  A  124  .  ?        ?  
121  1  1  A  125  ALA  A  125  .  ?        ?  
122  1  1  A  130  VAL  A  130  .  ?        1  
123  1  1  A  131  ARG  A  131  .  ?        2  
124  1  1  A  132  ILE  A  132  .  ?        1  
125  1  1  A  133  ASP  A  133  .  ?        ?  
126  1  1  A  134  ILE  A  134  .  ?        ?  
127  1  1  A  135  ASP  A  135  .  ?        ?  
128  1  1  A  136  ALA  A  136  .  ?        ?  
129  1  1  A  137  LEU  A  137  .  ?        ?  
130  1  1  A  138  ALA  A  138  .  ?        ?  
131  1  1  A  139  ALA  A  139  .  ?        ?  
132  1  1  A  140  ARG  A  140  .  ?        ?  
133  1  1  A  141  LEU  A  141  .  ?        ?  
134  1  1  A  142  GLY  A  142  .  ?        ?  
135  1  1  A  143  CYS  A  143  .  ?        ?  
136  1  1  A  144  PRO  A  144  .  ?        ?  
137  1  1  A  145  VAL  A  145  .  ?        1  
138  1  1  A  146  ILE  A  146  .  ?        ?  
139  1  1  A  147  PRO  A  147  .  ?        1  
140  1  1  A  148  LEU  A  148  .  ?        ?  
141  1  1  A  149  VAL  A  149  .  ?        ?  
142  1  1  A  150  SER  A  150  .  ?        1  
143  1  1  A  151  THR  A  151  .  ?        ?  
144  1  1  A  152  ARG  A  152  .  ?        ?  
145  1  1  A  153  GLY  A  153  .  ?        1  
146  1  1  A  154  ARG  A  154  .  ?        2  
147  1  1  A  155  GLY  A  155  .  ?        2  
148  1  1  A  156  ILE  A  156  .  ?        ?  
149  1  1  A  157  GLU  A  157  .  ?        ?  
150  1  1  A  158  ALA  A  158  .  ?        ?  
151  1  1  A  159  LEU  A  159  .  ?        ?  
152  1  1  A  160  LYS  A  160  .  ?        ?  
153  1  1  A  161  ILE  A  161  .  ?        ?  
154  1  1  A  162  ALA  A  162  .  ?        ?  
155  1  1  A  163  LEU  A  163  .  ?        ?  
156  1  1  A  164  ASP  A  164  .  ?        ?  
157  1  1  A  165  ARG  A  165  .  ?        ?  
158  1  1  A  166  HIS  A  166  .  ?        ?  
159  1  1  A  167  GLN  A  167  .  ?        ?  
160  1  1  A  168  ALA  A  168  .  ?        ?  
161  1  1  A  169  ASN  A  169  .  ?        ?  
162  1  1  A  170  SER  A  170  .  ?        ?  
163  1  1  A  171  ASP  A  171  .  ?        ?  
164  1  1  A  172  LEU  A  172  .  ?        ?  
165  1  1  A  173  GLU  A  173  .  ?        ?  
166  1  1  A  174  LEU  A  174  .  ?        ?  
167  1  1  A  175  VAL  A  175  .  ?        1  
168  1  1  A  176  HIS  A  176  .  ?        ?  
169  1  1  A  177  TYR  A  177  .  ?        ?  
170  1  1  A  178  PRO  A  178  .  ?        ?  
171  1  1  A  179  GLN  A  179  .  ?        ?  
172  1  1  A  180  PRO  A  180  .  ?        ?  
173  1  1  A  181  LEU  A  181  .  ?        ?  
174  1  1  A  182  LEU  A  182  .  ?        ?  
175  1  1  A  183  ARG  A  183  .  ?        1  
176  1  1  A  184  GLU  A  184  .  ?        ?  
177  1  1  A  185  ALA  A  185  .  ?        ?  
178  1  1  A  186  ASP  A  186  .  ?        ?  
179  1  1  A  187  LEU  A  187  .  ?        1  
180  1  1  A  188  LEU  A  188  .  ?        ?  
181  1  1  A  189  ALA  A  189  .  ?        ?  
182  1  1  A  190  GLN  A  190  .  ?        ?  
183  1  1  A  191  GLN  A  191  .  ?        ?  
184  1  1  A  192  MET  A  192  .  ?        ?  
185  1  1  A  193  SER  A  193  .  ?        ?  
186  1  1  A  194  ALA  A  194  .  ?        ?  
187  1  1  A  195  GLN  A  195  .  ?        ?  
188  1  1  A  196  ILE  A  196  .  ?        ?  
189  1  1  A  197  PRO  A  197  .  ?        ?  
190  1  1  A  198  PRO  A  198  .  ?        1  
191  1  1  A  199  ARG  A  199  .  ?        ?  
192  1  1  A  200  GLN  A  200  .  ?        ?  
193  1  1  A  201  ARG  A  201  .  ?        1  
194  1  1  A  202  ARG  A  202  .  ?        ?  
195  1  1  A  203  TRP  A  203  .  ?        ?  
196  1  1  A  204  LEU  A  204  .  ?        ?  
197  1  1  A  205  GLY  A  205  .  ?        ?  
198  1  1  A  206  LEU  A  206  .  ?        ?  
199  1  1  A  207  GLN  A  207  .  ?        ?  
200  1  1  A  208  MET  A  208  .  ?        ?  
201  1  1  A  209  LEU  A  209  .  ?        ?  
202  1  1  A  210  GLU  A  210  .  ?        ?  
203  1  1  A  211  GLY  A  211  .  ?        ?  
204  1  1  A  212  ASP  A  212  .  ?        ?  
205  1  1  A  213  ILE  A  213  .  ?        ?  
206  1  1  A  214  TYR  A  214  .  ?        ?  
207  1  1  A  215  SER  A  215  .  ?        ?  
208  1  1  A  216  ARG  A  216  .  ?        ?  
209  1  1  A  217  ALA  A  217  .  ?        ?  
210  1  1  A  218  TYR  A  218  .  ?        ?  
211  1  1  A  219  ALA  A  219  .  ?        ?  
212  1  1  A  220  GLY  A  220  .  ?        1  
213  1  1  A  221  ASP  A  221  .  ?        ?  
214  1  1  A  222  ALA  A  222  .  ?        1  
215  1  1  A  223  ALA  A  223  .  ?        ?  
216  1  1  A  224  ASP  A  224  .  ?        ?  
217  1  1  A  225  LYS  A  225  .  ?        ?  
218  1  1  A  226  LEU  A  226  .  ?        ?  
219  1  1  A  227  ASP  A  227  .  ?        ?  
220  1  1  A  228  ILE  A  228  .  ?        ?  
221  1  1  A  229  ALA  A  229  .  ?        ?  
222  1  1  A  230  LEU  A  230  .  ?        ?  
223  1  1  A  231  ALA  A  231  .  ?        ?  
224  1  1  A  232  ASN  A  232  .  ?        ?  
225  1  1  A  233  LEU  A  233  .  ?        1  
226  1  1  A  234  SER  A  234  .  ?        ?  
227  1  1  A  235  ASP  A  235  .  ?        ?  
228  1  1  A  236  GLU  A  236  .  ?        1  
229  1  1  A  237  ILE  A  237  .  ?        ?  
230  1  1  A  238  ASP  A  238  .  ?        ?  
231  1  1  A  239  ASP  A  239  .  ?        ?  
232  1  1  A  240  PRO  A  240  .  ?        ?  
233  1  1  A  241  ALA  A  241  .  ?        ?  
234  1  1  A  242  LEU  A  242  .  ?        ?  
235  1  1  A  243  HIS  A  243  .  ?        ?  
236  1  1  A  244  ILE  A  244  .  ?        ?  
237  1  1  A  245  ALA  A  245  .  ?        ?  
238  1  1  A  246  ASP  A  246  .  ?        1  
239  1  1  A  247  ALA  A  247  .  ?        ?  
240  1  1  A  248  ARG  A  248  .  ?        ?  
241  1  1  A  249  TYR  A  249  .  ?        1  
242  1  1  A  250  GLN  A  250  .  ?        ?  
243  1  1  A  251  THR  A  251  .  ?        1  
244  1  1  A  252  ILE  A  252  .  ?        1  
245  1  1  A  253  ALA  A  253  .  ?        ?  
246  1  1  A  254  ALA  A  254  .  ?        ?  
247  1  1  A  255  ILE  A  255  .  ?        ?  
248  1  1  A  256  CYS  A  256  .  ?        ?  
249  1  1  A  257  ASP  A  257  .  ?        ?  
250  1  1  A  258  ALA  A  258  .  ?        ?  
251  1  1  A  259  VAL  A  259  .  ?        ?  
252  1  1  A  260  SER  A  260  .  ?        ?  
253  1  2  B    5  SER  B    0  .  ?        ?  
254  1  2  B    6  MET  B    1  .  ?        ?  
255  1  2  B    7  ALA  B    2  .  ?        ?  
256  1  2  B    8  SER  B    3  .  ?        ?  
257  1  2  B    9  LEU  B    4  .  ?        1  
258  1  2  B   10  MET  B    5  .  ?        ?  
259  1  2  B   11  GLU  B    6  .  ?        ?  
260  1  2  B   12  VAL  B    7  .  ?        ?  
261  1  2  B   13  ARG  B    8  .  ?        ?  
262  1  2  B   14  ASP  B    9  .  ?        ?  
263  1  2  B   15  MET  B   10  .  ?        ?  
264  1  2  B   16  LEU  B   11  .  ?        ?  
265  1  2  B   17  ALA  B   12  .  ?        ?  
266  1  2  B   18  LEU  B   13  .  ?        ?  
267  1  2  B   19  GLN  B   14  .  ?        ?  
268  1  2  B   20  GLY  B   15  .  ?        ?  
269  1  2  B   21  ARG  B   16  .  ?        ?  
270  1  2  B   22  MET  B   17  .  ?        ?  
271  1  2  B   23  GLU  B   18  .  ?        ?  
272  1  2  B   24  ALA  B   19  .  ?        ?  
273  1  2  B   25  LYS  B   20  .  ?        ?  
274  1  2  B   26  GLN  B   21  .  ?        ?  
275  1  2  B   27  LEU  B   22  .  ?        ?  
276  1  2  B   28  SER  B   23  .  ?        ?  
277  1  2  B   29  ALA  B   24  .  ?        ?  
278  1  2  B   30  ARG  B   25  .  ?        ?  
279  1  2  B   31  LEU  B   26  .  ?        ?  
280  1  2  B   32  GLN  B   27  .  ?        ?  
281  1  2  B   33  THR  B   28  .  ?        ?  
282  1  2  B   34  PRO  B   29  .  ?        ?  
283  1  2  B   35  GLN  B   30  .  ?        ?  
284  1  2  B   36  PRO  B   31  .  ?        ?  
285  1  2  B   37  LEU  B   32  .  ?        ?  
286  1  2  B   38  ILE  B   33  .  ?        ?  
287  1  2  B   39  ASP  B   34  .  ?        ?  
288  1  2  B   40  ALA  B   35  .  ?        ?  
289  1  2  B   41  MET  B   36  .  ?        ?  
290  1  2  B   42  LEU  B   37  .  ?        1  
291  1  2  B   43  GLU  B   38  .  ?        ?  
292  1  2  B   44  ARG  B   39  .  ?        ?  
293  1  2  B   45  MET  B   40  .  ?        1  
294  1  2  B   46  GLU  B   41  .  ?        ?  
295  1  2  B   47  ALA  B   42  .  ?        ?  
296  1  2  B   48  MET  B   43  .  ?        ?  
297  1  2  B   49  GLY  B   44  .  ?        ?  
298  1  2  B   50  LYS  B   45  .  ?        1  
299  1  2  B   51  VAL  B   46  .  ?        ?  
300  1  2  B   52  VAL  B   47  .  ?        1  
301  1  2  B   53  ARG  B   48  .  ?        1  
302  1  2  B   54  ILE  B   49  .  ?        ?  
303  1  2  B   55  SER  B   50  .  ?        ?  
304  1  2  B   56  GLU  B   51  .  ?        ?  
305  1  2  B   78  GLN  B   73  .  ?        ?  
306  1  2  B   79  GLU  B   74  .  ?        ?  
307  1  2  B   80  TRP  B   75  .  ?        ?  
308  1  2  B   81  TRP  B   76  .  ?        1  
309  1  2  B   82  ALA  B   77  .  ?        ?  
310  1  2  B   83  LEU  B   78  .  ?        ?  
311  1  2  B   84  ARG  B   79  .  ?        1  
312  1  2  B   85  LEU  B   80  .  ?        1  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.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  pm0           ?       ?  ?           ?   7  173.050   9  0.23  12  0.35  molprobity  1.000  
  2    2  ptpt      -66.9   145.5  Favored     ?  13  168.970   9  0.25  11  0.39  molprobity  1.000  
  3    3  tp       -142.1   144.5  Favored     ?  11  135.220   8  0.20  11  0.49  molprobity  1.000  
  4    4  m        -124.6   122.8  Favored     ?   7  130.520   7  0.22  10  0.59  molprobity  1.000  
  5    5  t        -122.7   131.8  Favored     ?   9  117.550   7  0.26  10  0.37  molprobity  1.000  
  6    6  ?         -91.0   126.2  Favored     ?   3  106.760   4  0.33   5  0.60  molprobity  1.000  
  7    7  tp       -101.0    95.8  Favored     ?  11  100.440   8  0.23  11  0.57  molprobity  1.000  
  8    8  tt       -111.5   154.1  Favored     ?  11   97.920   8  0.23  11  0.53  molprobity  1.000  
  9    9  ?         174.7   175.4  Favored     ?   3   99.640   4  0.33   5  0.87  molprobity  1.000  
 10   10  m-80      -65.7   158.4  Favored     ?   6   99.580   8  0.29  12  0.31  molprobity  1.000  
 11   11  Cg_exo    -73.0   159.2  Favored     ?   7  115.550   8  0.22  11  0.52  molprobity  1.000  
 12   12  m-20       54.8    57.9  Favored     ?   6  131.360   8  0.18  11  0.46  molprobity  1.000  
 13   13  p        -150.1    25.3  Allowed     ?   5  124.520   6  0.28   8  0.61  molprobity  1.000  
 14   14  ?          64.2    11.6  Favored     ?   3  134.890   4  0.23   5  0.25  molprobity  1.000  
 15   15  ttpp      -47.1   -51.6  Favored     ?  13  118.630   9  0.27  11  0.69  molprobity  1.000  
 16   16  p         -37.8   -67.8  Allowed     ?   7  125.300   7  0.20  10  0.62  molprobity  1.000  
 17   17  p         -81.1    -9.0  Favored     ?   7  133.170   7  0.18  10  0.78  molprobity  1.000  
 18   18  tp        -76.8   -48.6  Favored     ?  11  123.830   8  0.24  11  0.37  molprobity  1.000  
 19   19  t80       -46.2   -39.1  Favored     ?   9  129.450  12  0.40  16  0.21  molprobity  1.000  
 20   20  m-20      -57.3   -63.4  Allowed     ?   6  132.790   8  0.16  11  0.32  molprobity  1.000  
 21   21  mt-30     -63.3   -30.1  Favored     ?   8  147.680   9  0.20  12  0.37  molprobity  1.000  
 22   22  mt        -62.9   -58.3  Favored     ?  11  132.500   8  0.17  11  0.28  molprobity  1.000  
 23   23  p         -81.0   -61.9  Allowed     ?   7  141.340   7  0.22  10  0.56  molprobity  1.000  
 24   24  ?          80.5   -84.3  Allowed     ?   3  163.430   4  0.19   5  0.35  molprobity  1.000  
 25   25  ?         -83.5   -45.1  Favored     ?   5  179.840   5  0.29   7  0.28  molprobity  1.000  
 26   26  mmm-85    -95.8   108.8  Favored     ?  13  180.120  11  0.23  14  0.42  molprobity  1.000  
 27   27  mt-30    -149.2   102.8  Favored     ?   8  165.160   9  0.35  12  0.72  molprobity  1.000  
 28   28  ptt85     -95.5   168.8  Favored     ?  13  196.040  11  0.25  14  0.54  molprobity  1.000  
 29   29  t        -134.1   153.8  Favored     ?   9  205.960   7  0.22  10  0.45  molprobity  1.000  
 30   30  ?        -164.2   163.0  Favored     ?   3  194.230   4  0.32   5  0.63  molprobity  1.000  
 31   31  OUTLIER   -78.4   145.1  Favored     ?   6  186.760   8  0.27  11  0.38  molprobity  1.000  
 32   32  OUTLIER   -78.6   162.1  Favored     ?  10  162.080  16  0.35  23  0.39  molprobity  1.000  
 33   33  ?         -42.4    72.7  OUTLIER     ?   5  185.260   5  0.38   7  0.44  molprobity  1.000  
 34   34  ?          88.8    26.1  Favored     ?   3  178.300   4  0.32   5  0.70  molprobity  1.000  
 35   35  m        -142.0  -159.3  Allowed     ?   9  171.520   7  0.35  10  0.30  molprobity  1.000  
 36   36  p        -107.9     2.0  Favored     ?   7  173.200   7  0.20  10  0.75  molprobity  1.000  
 37   37  m        -104.3   176.3  Allowed     ?   9  166.570   7  0.27  10  0.40  molprobity  1.000  
 38   38  tt0      -103.3   114.2  Favored     ?   6  187.370   9  0.26  12  0.37  molprobity  1.000  
 39   39  OUTLIER   -87.2   121.4  Favored     ?  13  163.480  11  0.25  14  0.45  molprobity  1.000  
 40   40  ttpt     -116.8    88.4  Favored     ?  13  149.220   9  0.25  11  0.45  molprobity  1.000  
 41   41  tt0       -91.3   147.2  Favored     ?   6  154.830   9  0.25  12  0.33  molprobity  1.000  
 42   42  ?        -146.9   158.6  Favored     ?   3  147.780   4  0.25   5  0.68  molprobity  1.000  
 43   43  mm       -120.7   133.9  Favored     ?  11  153.340   8  0.22  11  0.43  molprobity  1.000  
 44   44  p90      -143.8   168.3  Favored     ?   9  140.660  12  0.32  16  0.46  molprobity  1.000  
 45   45  ?        -123.7   131.3  Favored     ?   5  138.970   5  0.34   7  0.39  molprobity  1.000  
 46   46  p         -93.8   177.1  Favored     ?   7  145.200   7  0.28  10  0.73  molprobity  1.000  
 47   47  t         -87.4    48.8  Allowed     ?   7  152.080   7  0.18  10  0.55  molprobity  1.000  
 48   48  m-20     -166.1   -39.4  OUTLIER     ?   4  149.750   8  0.17  11  0.29  molprobity  1.000  
 49   49  m80      -128.6   153.6  Favored     ?   7  146.640  11  0.15  15  0.54  molprobity  1.000  
 50   50  tt0       -95.2   110.7  Favored     ?   8  147.270   9  0.32  12  0.53  molprobity  1.000  
 51   51  t         -88.7   129.8  Favored     ?   9  132.750   7  0.30  10  0.40  molprobity  1.000  
 52   52  m         -92.6    98.3  Favored     ?   7  131.270   7  0.22  10  0.73  molprobity  1.000  
 53   53  tp        -83.7   136.7  Favored     ?  11  122.200   8  0.22  11  0.44  molprobity  1.000  
 54   54  t        -122.6   100.8  Favored     ?   9  117.840   7  0.24  10  0.45  molprobity  1.000  
 55   55  t70       -63.2   127.5  Favored     ?   4  118.860   8  0.36  11  0.49  molprobity  1.000  
 56   56  mt        -97.1   169.3  Favored     ?  11  108.460   8  0.32  12  0.77  molprobity  1.000  
 57   57  Cg_endo   -67.3   148.7  Favored     ?   7  118.080   8  0.21  11  0.50  molprobity  1.000  
 58   58  ?         -60.9   134.7  Favored     ?   3  117.720   4  0.26   5  0.66  molprobity  1.000  
 59   59  t        -157.0   145.8  Favored     ?   7  112.500   7  0.17  10  0.56  molprobity  1.000  
 60   60  m-85      -90.8    -7.2  Favored     ?   9  112.850  13  0.18  18  0.40  molprobity  1.000  
 61   61  p        -168.0  -170.2  Allowed     ?   5  104.140   6  0.21   8  0.63  molprobity  1.000  
 62   62  mp       -116.3     3.2  Favored     ?  11   97.790   8  0.22  11  0.51  molprobity  1.000  
 63   63  m         -76.9   108.8  Favored     ?   7  116.560   7  0.22  10  0.58  molprobity  1.000  
 64   64  m         -95.1   113.3  Favored     ?   7  108.650   7  0.24  10  0.61  molprobity  1.000  
 65   65  mm            ?       ?  ?           ?  11  102.980   7  0.33   8  0.35  molprobity  1.000  
 66   66  t             ?       ?  ?           ?   6  139.320   7  0.39  10  0.59  molprobity  1.000  
 67   67  m        -119.9    90.6  Favored     ?   5  140.720   6  0.14   8  0.69  molprobity  1.000  
 68   68  mm?       -62.0   -86.2  OUTLIER     ?  11  126.690   8  0.28  11  0.78  molprobity  1.000  
 69   69  m-20       13.4   -62.9  OUTLIER     ?   4  131.140   8  0.21  11  0.58  molprobity  1.000  
 70   70  mp0       -51.5   -48.7  Favored     ?   6  128.910   9  0.18  12  0.34  molprobity  1.000  
 71   71  tt0       -68.6   -42.1  Favored     ?   8  116.290   9  0.25  12  0.23  molprobity  1.000  
 72   72  mt        -56.0   -44.6  Favored     ?  11  119.940   8  0.23  11  0.32  molprobity  1.000  
 73   73  ?         -74.0   -49.1  Favored     ?   5  117.820   5  0.36   7  0.23  molprobity  1.000  
 74   74  t         -50.1   -38.3  Favored     ?   5  112.120   6  0.24   8  0.19  molprobity  1.000  
 75   75  t60       -63.6   -60.9  Favored     ?   7  131.570  11  0.16  15  0.23  molprobity  1.000  
 76   76  t80       -58.6   -35.0  Favored     ?   9  126.820  13  0.30  18  0.32  molprobity  1.000  
 77   77  mt        -62.6   -52.3  Favored     ?  11  114.100   8  0.20  11  0.31  molprobity  1.000  
 78   78  mt        -71.4   -21.9  Favored     ?  11  121.060   8  0.20  11  0.26  molprobity  1.000  
 79   79  p         -64.0   -14.1  Favored     ?   5  136.920   6  0.24   8  0.61  molprobity  1.000  
 80   80  ?          73.2    12.4  Favored     ?   3  145.170   4  0.27   5  0.32  molprobity  1.000  
 81   81  t0        -67.5   -55.9  Favored     ?   4  152.590   8  0.35  11  0.57  molprobity  1.000  
 82   82  ?         -69.4   132.1  Favored     ?   5  134.470   5  0.22   7  0.35  molprobity  1.000  
 83   83  m-20      -66.7   -42.5  Favored     ?   4  131.520   8  0.25  11  0.28  molprobity  1.000  
 84   84  ptm      -156.1   174.8  Favored     ?   9  121.480   8  0.28  10  0.57  molprobity  1.000  
 85   85  mp       -125.4   171.6  Favored     ?  11  105.290   8  0.19  11  0.70  molprobity  1.000  
 86   86  mt       -130.0   116.6  Favored     ?  11   95.290   8  0.29  11  0.60  molprobity  1.000  
 87   87  OUTLIER   -92.4   114.8  Favored     ?   6   92.760   8  0.43  11  0.47  molprobity  1.000  
 88   88  t         -85.6   127.5  Favored     ?   9   97.130   7  0.32  10  0.48  molprobity  1.000  
 89   89  t        -134.0   116.0  Favored     ?   9  103.520   7  0.43  10  0.45  molprobity  1.000  
 90   90  t0        -79.9   132.0  Favored     ?   4  124.360   8  0.27  11  0.30  molprobity  1.000  
 91   91  ?         -78.2   -22.8  Favored     ?   5  108.940   5  0.23   7  0.42  molprobity  1.000  
 92   92  p         -68.8   -36.9  Favored     ?   5  119.560   6  0.21   8  0.23  molprobity  1.000  
 93   93  m-20     -111.6    25.6  Favored     ?   6  123.350   8  0.20  11  0.55  molprobity  1.000  
 94   94  mt        -32.7   -49.9  Allowed     ?  11  105.710   8  0.18  11  0.63  molprobity  1.000  
 95   95  mp0       -55.8   -34.3  Favored     ?   6  108.350   9  0.34  12  0.36  molprobity  1.000  
 96   96  ttm180    -75.0   -53.6  Favored     ?  13  118.150  11  0.22  14  0.68  molprobity  1.000  
 97   97  m-80      -62.9   -28.7  Favored     ?   6  102.030   8  0.23  11  0.31  molprobity  1.000  
 98   98  mt        -82.2    -8.8  Favored     ?  11   91.600   8  0.20  11  0.59  molprobity  1.000  
 99   99  t80       -64.2   -48.5  Favored     ?   9  101.230  13  0.27  18  0.26  molprobity  1.000  
100  100  tp        -58.0   -39.9  Favored     ?  11   88.210   8  0.24  11  0.60  molprobity  1.000  
101  101  m         -61.6   -41.6  Favored     ?   7   90.600   7  0.20  10  0.53  molprobity  1.000  
102  102  mp        -70.5   -36.3  Favored     ?  11   94.050   8  0.20  11  0.35  molprobity  1.000  
103  103  mt-30     -66.2   -41.5  Favored     ?   8  100.660   9  0.27  12  0.23  molprobity  1.000  
104  104  mt        -63.2   -33.4  Favored     ?  11   97.450   8  0.23  11  0.39  molprobity  1.000  
105  105  mt        -83.2   -33.9  Favored     ?  11  109.870   8  0.23  11  0.41  molprobity  1.000  
106  106  mt-10     -59.6   -40.1  Favored     ?   6  115.150   9  0.24  12  0.34  molprobity  1.000  
107  107  mt        -68.3    -0.7  Favored     ?  11  116.030   8  0.22  11  0.55  molprobity  1.000  
108  108  ?          71.0   -18.1  Allowed     ?   3  132.420   4  0.31   5  0.80  molprobity  1.000  
109  109  tt        -58.8   137.9  Favored     ?  11  127.640   8  0.41  12  0.39  molprobity  1.000  
110  110  Cg_exo    -56.5   127.7  Favored     ?   7  129.630   8  0.16  11  0.32  molprobity  1.000  
111  111  m        -133.7   151.5  Favored     ?   5  123.550   6  0.32   8  0.55  molprobity  1.000  
112  112  t        -131.6   132.5  Favored     ?   9  110.330   7  0.29  10  0.51  molprobity  1.000  
113  113  t         -94.4   119.1  Favored     ?   9  101.680   7  0.32  10  0.43  molprobity  1.000  
114  114  ?         -91.3   111.7  Favored     ?   5  101.640   5  0.27   7  0.67  molprobity  1.000  
115  115  tp        -85.2   126.2  Favored     ?  11  102.640   8  0.25  11  0.56  molprobity  1.000  
116  116  t30      -100.5   143.5  Favored     1   6  133.320   8  0.17  11  0.59  molprobity  1.000  
117  117  mtt        64.2    29.0  Favored     ?   9  188.210   8  0.28  10  0.47  molprobity  1.000  
118  118  mt        -72.3    14.1  Allowed     ?  11  189.580   8  0.27  11  0.89  molprobity  1.000  
119  119  t70       -85.2   -15.0  Favored     ?   4  242.440   8  0.28  11  0.34  molprobity  1.000  
120  120  mt        -75.0    -3.4  Favored     ?  11  206.860   8  0.16  11  0.84  molprobity  1.000  
121  121  ?             ?       ?  ?           ?   5  196.500   4  0.21   4  0.32  molprobity  1.000  
122  122  p             ?       ?  ?           ?   8  163.700   7  0.23  10  0.39  molprobity  1.000  
123  123  OUTLIER  -174.0   153.8  Favored     ?  13  147.240  11  0.18  14  0.66  molprobity  1.000  
124  124  mp       -126.2   158.8  Favored     ?  11  133.770   8  0.28  11  0.90  molprobity  1.000  
125  125  t0        -83.6    92.3  Favored     ?   4  127.530   8  0.27  11  0.47  molprobity  1.000  
126  126  mp        -76.9   -41.9  Favored     ?  11  109.660   8  0.19  11  0.43  molprobity  1.000  
127  127  m-20      -57.8   -39.5  Favored     ?   4  134.260   8  0.23  11  0.27  molprobity  1.000  
128  128  ?         -71.8   -32.8  Favored     ?   5  114.670   5  0.26   7  0.18  molprobity  1.000  
129  129  tm?       -61.4   -49.5  Favored     ?  11   96.180   8  0.20  11  0.81  molprobity  1.000  
130  130  ?         -61.4   -39.9  Favored     ?   5  104.070   5  0.26   7  0.23  molprobity  1.000  
131  131  ?         -74.7   -16.2  Favored     ?   5  113.490   5  0.26   7  0.44  molprobity  1.000  
132  132  mmm-85    -81.3   -22.0  Favored     ?  13  126.790  11  0.17  14  0.35  molprobity  1.000  
133  133  mt        -95.6   -22.7  Favored     ?  11  106.100   8  0.20  11  0.69  molprobity  1.000  
134  134  ?          81.2    21.5  Favored     ?   3  126.620   4  0.44   5  0.43  molprobity  1.000  
135  135  p        -137.5   175.8  Favored     ?   5  119.940   6  0.24   9  0.59  molprobity  1.000  
136  136  Cg_endo   -92.8   148.6  Favored     ?   7  115.860   8  0.37  11  0.63  molprobity  1.000  
137  137  t        -124.6   116.5  Favored     ?   9   98.180   7  0.48  10  0.55  molprobity  1.000  
138  138  mm        -98.8   116.5  Favored     ?  11  106.930   8  0.39  12  0.51  molprobity  1.000  
139  139  Cg_endo   -83.6   153.1  Favored     ?   7  105.070   8  0.28  11  0.46  molprobity  1.000  
140  140  mt       -136.7   150.8  Favored     ?  11  128.080   8  0.14  11  0.85  molprobity  1.000  
141  141  t        -126.6    90.1  Allowed     ?   9  164.980   7  0.33  10  0.81  molprobity  1.000  
142  142  m         -72.0   -35.7  Favored     ?   5  183.060   6  0.18   8  0.39  molprobity  1.000  
143  143  t         -59.8   -19.3  Favored     ?   7  212.510   7  0.19  10  0.45  molprobity  1.000  
144  144  ?         -77.6   -27.7  Favored     ?   2  207.700   5  0.29   7  0.43  molprobity  1.000  
145  145  ?          78.6    31.6  Favored     ?   3  188.550   4  0.41   5  0.21  molprobity  1.000  
146  146  tpm_?    -129.4   137.5  Favored     ?  13  209.050  11  0.41  14  1.26  molprobity  1.000  
147  147  ?          92.8   -25.9  Favored     ?   3  158.370   4  0.80   5  0.29  molprobity  1.000  
148  148  mp        -56.2   -42.5  Favored     ?  11  139.750   8  0.24  11  0.37  molprobity  1.000  
149  149  mm-40     -61.0   -37.7  Favored     ?   6  153.810   9  0.36  12  0.39  molprobity  1.000  
150  150  ?         -64.5   -33.8  Favored     ?   5  135.160   5  0.25   7  0.33  molprobity  1.000  
151  151  tp        -75.2   -38.5  Favored     ?  11  119.880   8  0.23  11  0.26  molprobity  1.000  
152  152  mttt      -57.1   -38.4  Favored     ?  13  134.320   9  0.23  11  0.35  molprobity  1.000  
153  153  mt        -74.9   -31.3  Favored     ?  11  135.390   8  0.22  11  0.37  molprobity  1.000  
154  154  ?         -69.0   -33.0  Favored     ?   5  129.450   5  0.26   7  0.31  molprobity  1.000  
155  155  mt        -61.7   -30.2  Favored     ?  11  130.710   8  0.20  11  0.58  molprobity  1.000  
156  156  m-20      -70.6   -38.7  Favored     ?   4  145.680   8  0.20  11  0.37  molprobity  1.000  
157  157  ttm105    -94.3   -35.8  Favored     ?  13  197.490  11  0.23  14  0.64  molprobity  1.000  
158  158  t60       -63.7   126.7  Favored     ?   7  164.900  11  0.18  15  0.34  molprobity  1.000  
159  159  mm-40     -98.7   -60.2  Allowed     ?   8  184.370   9  0.24  12  0.33  molprobity  1.000  
160  160  ?        -151.7   152.7  Favored     ?   5  161.490   5  0.36   7  0.64  molprobity  1.000  
161  161  m-20      -74.7   147.5  Favored     ?   6  145.160   8  0.26  11  0.37  molprobity  1.000  
162  162  m         -64.3   152.4  Favored     ?   5  149.500   6  0.19   8  0.42  molprobity  1.000  
163  163  t0        -97.1    99.9  Favored     ?   4  175.520   8  0.20  11  0.46  molprobity  1.000  
164  164  mt       -128.2   159.6  Favored     ?  11  143.070   8  0.21  11  0.57  molprobity  1.000  
165  165  tt0       -81.3    84.6  Favored     ?   6  149.700   9  0.32  12  0.69  molprobity  1.000  
166  166  mt        -64.5   -52.4  Favored     ?  11  126.270   8  0.23  11  0.29  molprobity  1.000  
167  167  t        -122.6   128.4  Favored     ?   9  125.990   7  0.26  10  0.41  molprobity  1.000  
168  168  t60       -90.8   105.1  Favored     ?   7  140.180  11  0.19  15  0.40  molprobity  1.000  
169  169  m-85      -91.7   156.6  Favored     ?   9  115.210  13  0.22  19  0.28  molprobity  1.000  
170  170  Cg_exo    -65.9   137.9  Favored     ?   7  138.840   8  0.13  11  0.40  molprobity  1.000  
171  171  OUTLIER   -58.6   -35.1  Favored     ?   8  165.410   9  0.39  13  0.70  molprobity  1.000  
172  172  Cg_exo    -49.5   -45.2  Favored     ?   7  145.210   8  0.32  11  0.49  molprobity  1.000  
173  173  mt        -67.2   -45.8  Favored     ?  11  130.660   8  0.24  11  0.30  molprobity  1.000  
174  174  mt        -56.5   -47.8  Favored     ?  11  137.710   8  0.21  11  0.46  molprobity  1.000  
175  175  ttp180    -49.3   -56.0  Favored     ?  13  157.950  11  0.18  14  0.40  molprobity  1.000  
176  176  mm-40     -73.0   -29.9  Favored     ?   6  151.690   9  0.26  12  0.41  molprobity  1.000  
177  177  ?         -73.0   -31.7  Favored     ?   5  126.030   5  0.24   7  0.32  molprobity  1.000  
178  178  m-20      -63.6   -38.3  Favored     ?   4  143.140   8  0.20  11  0.24  molprobity  1.000  
179  179  mp        -68.8   -38.4  Favored     ?  11  131.680   8  0.29  11  0.93  molprobity  1.000  
180  180  mt        -62.6   -23.9  Favored     ?  11  131.820   8  0.21  11  0.31  molprobity  1.000  
181  181  ?         -74.6   -46.1  Favored     ?   5  133.600   5  0.26   7  0.34  molprobity  1.000  
182  182  mt-30     -62.5   -27.0  Favored     ?   8  147.270   9  0.26  12  0.34  molprobity  1.000  
183  183  mm-40     -71.8   -15.1  Favored     ?   8  147.500   9  0.25  12  0.28  molprobity  1.000  
184  184  mtt       -83.6   164.1  Favored     ?   9  139.650   8  0.30  10  0.59  molprobity  1.000  
185  185  p         -77.3   142.8  Favored     ?   5  154.870   6  0.20   8  0.30  molprobity  1.000  
186  186  ?         -69.0    -3.6  Favored     ?   5  150.560   5  0.29   7  0.48  molprobity  1.000  
187  187  mt-30     -49.8   -34.7  Favored     ?   8  165.460   9  0.23  12  0.42  molprobity  1.000  
188  188  mt        -85.9   134.1  Favored     ?  11  151.530   8  0.28  12  0.43  molprobity  1.000  
189  189  Cg_exo    -55.2   134.0  Favored     ?   7  156.060   8  0.28  12  0.31  molprobity  1.000  
190  190  Cg_exo    -52.7   -29.8  Favored     ?   7  156.220   8  0.24  11  0.47  molprobity  1.000  
191  191  ttt85     -63.8   -42.6  Favored     ?  13  173.970  11  0.20  14  0.44  molprobity  1.000  
192  192  mt-30     -66.3   -37.3  Favored     ?   8  137.340   9  0.22  12  0.37  molprobity  1.000  
193  193  mtm105    -62.9   -43.2  Favored     ?  13  138.840  11  0.31  14  0.33  molprobity  1.000  
194  194  tpp85     -52.2   -41.6  Favored     ?  13  135.010  11  0.19  14  0.43  molprobity  1.000  
195  195  t90       -67.3   -49.0  Favored     ?  10  111.010  16  0.15  23  0.19  molprobity  1.000  
196  196  mt        -59.8   -31.3  Favored     ?  11  103.290   8  0.26  11  0.52  molprobity  1.000  
197  197  ?         -64.9   -35.8  Favored     ?   3  107.710   4  0.14   5  0.35  molprobity  1.000  
198  198  mt        -77.7   -37.5  Favored     ?  11   97.330   8  0.24  11  0.42  molprobity  1.000  
199  199  mm100     -63.7   -38.2  Favored     ?   8  108.660   9  0.29  12  0.29  molprobity  1.000  
200  200  mtp       -59.9   -40.0  Favored     ?   9  114.140   8  0.24  10  0.28  molprobity  1.000  
201  201  mt        -67.6   -39.0  Favored     ?  11  107.450   8  0.21  11  0.61  molprobity  1.000  
202  202  tt0       -59.4   -18.1  Favored     ?   6  120.290   9  0.29  12  0.52  molprobity  1.000  
203  203  ?         100.3    27.4  Favored     ?   3  108.660   4  0.52   5  0.58  molprobity  1.000  
204  204  t70       -77.5   141.9  Favored     ?   4  117.630   8  0.25  11  0.44  molprobity  1.000  
205  205  mm       -101.3   -40.9  Favored     ?  11  107.210   8  0.26  11  0.37  molprobity  1.000  
206  206  t80       -66.5   -27.8  Favored     ?   9  121.020  13  0.19  18  0.19  molprobity  1.000  
207  207  m         -76.8   -37.5  Favored     ?   5  112.770   6  0.27   8  0.20  molprobity  1.000  
208  208  OUTLIER   -51.1   -35.3  Favored     ?  13  134.260  11  0.22  14  0.43  molprobity  1.000  
209  209  ?         -90.3   -46.8  Favored     ?   5  135.380   5  0.26   7  0.23  molprobity  1.000  
210  210  t80       -54.8   -48.6  Favored     ?   9  132.370  13  0.25  18  0.32  molprobity  1.000  
211  211  ?         -61.8   -37.1  Favored     ?   5  139.080   5  0.27   7  0.45  molprobity  1.000  
212  212  ?          70.9  -130.9  Favored     ?   3  149.510   4  0.16   5  0.44  molprobity  1.000  
213  213  t0        -55.1    79.6  OUTLIER     ?   4  158.740   8  0.20  11  0.59  molprobity  1.000  
214  214  ?         178.3   -34.6  OUTLIER     ?   5  146.410   5  0.32   7  0.93  molprobity  1.000  
215  215  ?         -64.0   -20.5  Favored     ?   5  143.110   5  0.26   7  0.35  molprobity  1.000  
216  216  OUTLIER   -66.3   -28.0  Favored     ?   4  149.380   8  0.23  11  0.22  molprobity  1.000  
217  217  ?         -88.0    -0.7  Favored     ?   2  135.590   5  0.20   7  0.40  molprobity  1.000  
218  218  tp        -65.6   -49.7  Favored     ?  11  134.930   8  0.28  11  0.31  molprobity  1.000  
219  219  OUTLIER   -68.4   -35.6  Favored     ?   4  152.260   8  0.19  11  0.37  molprobity  1.000  
220  220  pt        -72.5   -21.2  Favored     ?  11  144.290   8  0.19  11  0.25  molprobity  1.000  
221  221  ?         -77.5   -50.0  Favored     ?   5  141.890   5  0.27   7  0.23  molprobity  1.000  
222  222  mt        -55.4   -29.4  Favored     ?  11  131.300   8  0.26  11  0.43  molprobity  1.000  
223  223  ?         -68.2   -40.7  Favored     ?   5  142.090   5  0.25   7  0.22  molprobity  1.000  
224  224  m-80      -66.1   -15.2  Favored     ?   6  157.760   8  0.31  11  0.34  molprobity  1.000  
225  225  mm?       -83.6   -54.9  Favored     ?  11  148.950   8  0.20  11  0.76  molprobity  1.000  
226  226  t         -32.3   -35.3  OUTLIER     ?   5  170.760   6  0.26   8  0.40  molprobity  1.000  
227  227  t0        -50.1   -59.9  Favored     ?   4  190.860   8  0.16  11  0.38  molprobity  1.000  
228  228  mp0       -93.2   -42.3  Favored     ?   6  174.620   9  0.23  12  0.44  molprobity  1.000  
229  229  mm        -98.6   138.8  Favored     ?  11  151.670   8  0.20  11  0.46  molprobity  1.000  
230  230  p30       -73.9   -40.6  Favored     ?   4  147.350   8  0.22  11  0.22  molprobity  1.000  
231  231  t0       -154.2   107.0  Favored     ?   4  134.960   8  0.22  12  0.39  molprobity  1.000  
232  232  Cg_endo   -70.9   -30.4  Favored     ?   7  128.310   8  0.27  11  0.30  molprobity  1.000  
233  233  ?         -57.6   -31.3  Favored     ?   5  117.590   5  0.26   7  0.32  molprobity  1.000  
234  234  mt        -80.5   -51.3  Favored     ?  11  114.360   8  0.20  11  0.20  molprobity  1.000  
235  235  m80       -53.6   -28.8  Favored     ?   7  128.960  11  0.22  15  0.25  molprobity  1.000  
236  236  mt        -67.5   -61.1  Allowed     ?  11  110.100   8  0.22  11  0.32  molprobity  1.000  
237  237  ?         -63.3   -19.9  Favored     ?   5  105.520   5  0.24   7  0.29  molprobity  1.000  
238  238  t70       -74.2   -57.8  Favored     ?   4  114.650   8  0.22  11  0.27  molprobity  1.000  
239  239  ?         -53.7   -30.3  Favored     ?   5  103.910   5  0.27   7  0.20  molprobity  1.000  
240  240  mtt180    -64.4   -51.2  Favored     ?  13  101.530  11  0.17  14  0.34  molprobity  1.000  
241  241  m-85      -68.3   -15.0  Favored     ?   9   98.620  13  0.25  18  0.34  molprobity  1.000  
242  242  mm100     -66.2   -60.0  Favored     ?   8  109.260   9  0.40  12  0.43  molprobity  1.000  
243  243  p         -64.3   -24.1  Favored     ?   7  104.420   7  0.22  10  0.70  molprobity  1.000  
244  244  mt        -58.7   -51.6  Favored     ?  11   98.540   8  0.21  11  0.37  molprobity  1.000  
245  245  ?         -66.0   -38.7  Favored     ?   5   99.680   5  0.29   7  0.25  molprobity  1.000  
246  246  ?         -58.0   -40.6  Favored     ?   5  103.100   5  0.28   7  0.22  molprobity  1.000  
247  247  mt        -67.6   -59.4  Favored     ?  11  101.330   8  0.28  11  0.25  molprobity  1.000  
248  248  m         -58.6   -25.9  Favored     ?   5  108.020   6  0.41   8  0.41  molprobity  1.000  
249  249  t70       -73.1   -35.7  Favored     ?   4  122.450   8  0.31  11  0.32  molprobity  1.000  
250  250  ?         -79.5    -2.2  Favored     ?   5  113.280   5  0.32   7  0.60  molprobity  1.000  
251  251  m        -123.9   -29.8  Allowed     ?   9  111.310   7  0.21  10  0.22  molprobity  1.000  
252  252  t             ?       ?  ?           ?   5  130.550   5  0.22   5  0.18  molprobity  1.000  
253  253  m             ?       ?  ?           ?   7  185.090   6  0.22   8  0.42  molprobity  1.000  
254  254  OUTLIER  -130.1   150.1  Favored     ?   9  165.870   8  0.36  10  0.71  molprobity  1.000  
255  255  ?         -57.0   162.8  Favored     ?   5  135.130   5  0.20   7  0.83  molprobity  1.000  
256  256  t        -139.5   152.8  Favored     ?   5  134.030   6  0.39   8  0.41  molprobity  1.000  
257  257  mt        -50.1   -47.5  Favored     ?  11  118.740   8  0.24  11  0.82  molprobity  1.000  
258  258  mpp?      -63.1   -31.0  Favored     ?   9  126.690   8  0.25  10  0.36  molprobity  1.000  
259  259  mt-10     -66.9   -26.6  Favored     ?   6  133.770   9  0.21  12  0.29  molprobity  1.000  
260  260  t         -77.0   -44.0  Favored     ?   9  113.300   7  0.28  10  0.35  molprobity  1.000  
261  261  ttp180    -55.4   -48.2  Favored     ?  13  130.120  11  0.18  14  0.31  molprobity  1.000  
262  262  m-20      -62.0   -32.4  Favored     ?   4  135.430   8  0.25  11  0.44  molprobity  1.000  
263  263  tpt       -67.1   -50.9  Favored     ?   9  147.750   8  0.26  10  0.37  molprobity  1.000  
264  264  mt        -68.4   -16.1  Favored     ?  11  121.430   8  0.19  11  0.37  molprobity  1.000  
265  265  ?         -68.9   -22.0  Favored     ?   5  130.040   5  0.26   7  0.33  molprobity  1.000  
266  266  mt       -104.3   -54.3  Favored     ?  11  135.660   8  0.19  11  0.28  molprobity  1.000  
267  267  mm100     -84.8    -4.0  Favored     ?   8  142.360   9  0.40  12  0.62  molprobity  1.000  
268  268  ?          65.0  -120.5  Favored     ?   3  131.740   4  0.19   5  0.58  molprobity  1.000  
269  269  ptp180    -57.5   143.8  Favored     ?  13  143.400  11  0.33  14  0.44  molprobity  1.000  
270  270  ttm      -167.9   130.1  Allowed     ?   9  130.490   8  0.31  10  0.24  molprobity  1.000  
271  271  mt-10     -69.9   143.7  Favored     ?   6  136.070   9  0.24  12  0.42  molprobity  1.000  
272  272  ?         -63.6   -37.0  Favored     ?   5  128.140   5  0.30   7  0.26  molprobity  1.000  
273  273  tmtt?     -42.4   -46.3  Favored     ?  13  152.430   9  0.16  11  0.76  molprobity  1.000  
274  274  mt-30     -71.2   -46.8  Favored     ?   8  139.310   9  0.29  12  0.22  molprobity  1.000  
275  275  mt        -55.7   -46.8  Favored     ?  11  131.980   8  0.18  11  0.57  molprobity  1.000  
276  276  t         -57.1   -48.1  Favored     ?   5  141.780   6  0.19   8  0.32  molprobity  1.000  
277  277  ?         -74.5   -33.2  Favored     ?   5  145.380   5  0.25   7  0.30  molprobity  1.000  
278  278  OUTLIER   -82.1   -24.0  Favored     ?  13  169.210  11  0.18  14  0.38  molprobity  1.000  
279  279  mt        -94.7     0.6  Favored     ?  11  141.170   8  0.18  11  0.55  molprobity  1.000  
280  280  mm-40      59.2    55.5  Favored     ?   8  168.830   9  0.35  12  0.55  molprobity  1.000  
281  281  m        -151.0   141.0  Favored     ?   7  130.650   7  0.29  11  0.49  molprobity  1.000  
282  282  Cg_exo    -53.1   147.1  Favored     ?   7  123.380   8  0.12  11  0.39  molprobity  1.000  
283  283  tp60      -63.1   -56.0  Favored     ?   8  123.600   9  0.32  13  0.66  molprobity  1.000  
284  284  Cg_endo   -65.8   -14.8  Favored     ?   7  110.600   8  0.27  11  0.50  molprobity  1.000  
285  285  tm?       -78.9   -40.9  Favored     ?  11  104.040   8  0.24  11  1.40  molprobity  1.000  
286  286  mm        -62.4   -39.2  Favored     ?  11  110.400   8  0.21  11  0.26  molprobity  1.000  
287  287  m-20      -62.7   -40.5  Favored     ?   4  123.740   8  0.21  11  0.38  molprobity  1.000  
288  288  ?         -69.7   -36.5  Favored     ?   5  107.250   5  0.23   7  0.22  molprobity  1.000  
289  289  mtt       -64.1   -47.5  Favored     ?   9  104.040   8  0.30  10  0.49  molprobity  1.000  
290  290  mp        -56.3   -51.5  Favored     ?  11   98.460   8  0.20  11  0.75  molprobity  1.000  
291  291  mt-10     -56.1   -30.4  Favored     ?   6  121.730   9  0.28  12  0.32  molprobity  1.000  
292  292  tpt180    -67.6   -63.7  Allowed     ?  13  109.370  11  0.20  14  0.39  molprobity  1.000  
293  293  mtp       -54.7   -35.8  Favored     ?   9  107.630   8  0.24  10  0.30  molprobity  1.000  
294  294  tt0       -60.9   -48.9  Favored     ?   6  117.280   9  0.25  12  0.36  molprobity  1.000  
295  295  ?         -67.3   -36.1  Favored     ?   5  105.380   5  0.26   7  0.29  molprobity  1.000  
296  296  mtp       -63.7    -8.3  Favored     ?   9  117.590   8  0.23  10  0.52  molprobity  1.000  
297  297  ?          86.9     6.8  Favored     ?   3  121.190   4  0.46   5  0.62  molprobity  1.000  
298  298  mmtt      -87.5   -25.9  Favored     ?  13  124.800   9  0.24  11  0.48  molprobity  1.000  
299  299  m        -135.1   175.2  Favored     ?   9  107.520   7  0.22  10  0.43  molprobity  1.000  
300  300  p        -157.2   164.2  Allowed     ?   9  110.020   7  0.19  10  0.62  molprobity  1.000  
301  301  ttp180   -116.7   158.4  Favored     ?  13  125.800  11  0.19  14  0.66  molprobity  1.000  
302  302  mt       -140.2   146.0  Favored     ?  11  120.270   8  0.26  11  0.55  molprobity  1.000  
303  303  m        -137.9   175.1  Favored     ?   5  131.210   6  0.33   8  0.66  molprobity  1.000  
304  304  mm-40         ?       ?  ?           ?   6  151.660   8  0.22   9  0.46  molprobity  1.000  
305  305  tt0           ?       ?  ?           ?   7  131.980   9  0.24  12  0.30  molprobity  1.000  
306  306  pm0       -74.8   146.4  Favored     ?   6  172.530   9  0.26  12  0.43  molprobity  1.000  
307  307  m95      -143.5   130.6  Favored     ?  10  132.750  16  0.16  23  0.33  molprobity  1.000  
308  308  m95      -108.1   139.8  Favored     ?  10  110.720  16  0.19  23  0.27  molprobity  1.000  
309  309  ?        -145.7  -177.7  Favored     ?   5  118.210   5  0.36   7  0.83  molprobity  1.000  
310  310  mt        -87.8   161.2  Favored     ?  11  120.520   8  0.22  11  0.94  molprobity  1.000  
311  311  OUTLIER    92.1  -179.2  OUTLIER     ?  13  171.160  11  0.28  14  0.79  molprobity  1.000  
312  312  mt            ?       ?  ?           ?  11  164.860   7  0.46   8  1.02  molprobity  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    3  HD23   1  0.54  1.88  
 2    7  HB2    2  0.57  1.86  
 3    8  HG12   3  0.54  1.89  
 4    8  HB     4  0.47  1.96  
 5   13  O      5  0.48  2.47  
 6   15  NZ     6  0.42  2.52  
 7   20  O      7  0.50  2.45  
 8   24  N      7  0.50  2.45  
 9   32  O      8  0.61  2.33  
10   32  HE3    9  0.55  1.54  
11   33  H      9  0.55  1.54  
12   34  N      8  0.61  2.33  
13   51  HG22   1  0.54  1.88  
14   53  HD11   2  0.57  1.86  
15   56  HD12   4  0.47  1.96  
16   56  O      6  0.42  2.52  
17   62  HD13  10  0.49  2.43  
18   62  HD13  11  0.45  1.99  
19   68  O     12  0.61  2.33  
20   68  O     13  0.54  2.36  
21   70  N     12  0.61  2.33  
22   71  N     13  0.54  2.36  
23  100  HD21   3  0.54  1.89  
24  100  CD1   10  0.49  2.43  
25  100  HD13  11  0.45  1.99  
26  113  HB    14  0.48  1.95  
27  115  HB3   15  0.47  1.96  
28  116  ND2    5  0.48  2.47  
29  122  HG22  16  0.41  1.83  
30  123  C     17  0.49  2.32  
31  123  H     16  0.41  1.83  
32  124  HD12  17  0.49  2.32  
33  137  HG22  14  0.48  1.95  
34  139  HA    15  0.47  1.96  
35  142  O     18  0.49  2.44  
36  145  N     18  0.49  2.44  
37  146  CZ    19  0.65  2.10  
38  146  NE    20  0.49  2.09  
39  147  H     19  0.65  2.10  
40  147  H     20  0.49  2.09  
41  167  HA    21  0.46  1.97  
42  175  O     22  0.52  2.10  
43  179  HD13  22  0.52  2.10  
44  190  HG3   23  0.42  2.35  
45  193  NH2   23  0.42  2.35  
46  212  O     24  0.56  2.38  
47  214  N     24  0.56  2.38  
48  225  O     25  0.52  2.42  
49  228  N     25  0.52  2.42  
50  238  HB2   26  0.43  2.00  
51  241  HA    27  0.43  2.01  
52  243  HG21  21  0.46  1.97  
53  244  HB    27  0.43  2.01  
54  257  HB2   26  0.43  2.00  
55  290  HD23  28  0.53  2.44  
56  293  HB3   29  0.50  1.94  
57  298  HB2   29  0.50  1.94  
58  300  HG22  30  0.41  1.86  
59  301  H     30  0.41  1.86  
60  308  CE2   28  0.53  2.44  
61  311  HG3   31  0.47  1.96  
62  312  HG    31  0.47  1.96  
#
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   9  0.858  0.381   0.281  
  2    2   9  0.859  0.464   0.511  
  3    3   8  0.987  0.303  -0.434  
  4    4   7  0.940  0.119  -1.029  
  5    5   7  0.957  0.214  -0.747  
  6    6   4  0.959  0.299   0.039  
  7    7   8  0.949  0.280  -0.539  
  8    8   8  0.978  0.250  -0.628  
  9    9   4  0.949  0.291  -0.003  
 10   10   8  0.941  0.164  -0.764  
 11   11   7  0.963  0.228  -0.466  
 12   12   8  0.887  0.320   0.161  
 13   13   6  0.942  0.155  -0.731  
 14   14   4  0.887  0.118  -0.893  
 15   15   9  0.971  0.147  -1.140  
 16   16   7  0.883  0.175  -0.720  
 17   17   7  0.948  0.161  -0.797  
 18   18   8  0.991  0.150  -1.133  
 19   19  11  0.946  0.254  -0.709  
 20   20   8  0.962  0.121  -1.018  
 21   21   9  0.943  0.233  -0.544  
 22   22   8  0.988  0.230  -0.767  
 23   23   7  0.938  0.234  -0.394  
 24   24   4  0.926  0.226  -0.337  
 25   25   5  0.728  0.421   0.544  
 26   26  11  0.749  0.753   2.080  
 27   27   9  0.768  0.658   1.824  
 28   28  11  0.896  0.769   2.166  
 29   29   7  0.891  0.772   1.942  
 30   30   4  0.923  0.520   1.177  
 31   31   8  0.822  0.428   0.800  
 32   32  14  0.940  0.449   0.363  
 33   33   5  0.700  0.591   1.398  
 34   34   4  0.935  0.370   0.404  
 35   35   7  0.962  0.404   0.169  
 36   36   7  0.944  0.471   0.915  
 37   37   7  0.928  0.419   0.241  
 38   38   9  0.870  0.812   2.585  
 39   39  11  0.925  0.448   0.456  
 40   40   9  0.927  0.639   1.422  
 41   41   9  0.927  0.627   1.575  
 42   42   4  0.937  0.450   0.816  
 43   43   8  0.938  0.545   0.768  
 44   44  11  0.973  0.382  -0.109  
 45   45   5  0.912  0.285  -0.139  
 46   46   7  0.947  0.189  -0.643  
 47   47   7  0.935  0.227  -0.433  
 48   48   8  0.957  0.130  -0.981  
 49   49  10  0.955  0.201  -0.668  
 50   50   9  0.893  0.436   0.587  
 51   51   7  0.989  0.202  -0.805  
 52   52   7  0.959  0.202  -0.571  
 53   53   8  0.965  0.232  -0.758  
 54   54   7  0.983  0.211  -0.761  
 55   55   8  0.914  0.236  -0.363  
 56   56   8  0.977  0.159  -1.092  
 57   57   7  0.971  0.168  -0.788  
 58   58   4  0.949  0.172  -0.615  
 59   59   7  0.963  0.149  -0.864  
 60   60  12  0.860  0.294  -0.437  
 61   61   6  0.968  0.255  -0.182  
 62   62   8  0.987  0.238  -0.731  
 63   63   7  0.939  0.245  -0.333  
 64   64   7  0.975  0.164  -0.781  
 65   65   8  0.920  0.205  -0.841  
 66   66   7  0.798  0.245  -0.333  
 67   67   6  0.865  0.158  -0.714  
 68   68   8  0.938  0.318  -0.365  
 69   69   8  0.951  0.164  -0.783  
 70   70   9  0.942  0.175  -0.894  
 71   71   9  0.925  0.267  -0.354  
 72   72   8  0.975  0.299  -0.396  
 73   73   5  0.977  0.154  -0.797  
 74   74   6  0.983  0.264  -0.189  
 75   75  10  0.918  0.228  -0.521  
 76   76  12  0.955  0.244  -0.681  
 77   77   8  0.994  0.148  -1.111  
 78   78   8  0.981  0.173  -1.028  
 79   79   6  0.957  0.120  -0.923  
 80   80   4  0.976  0.124  -0.863  
 81   81   8  0.913  0.233  -0.380  
 82   82   5  0.969  0.110  -1.018  
 83   83   8  0.927  0.175  -0.719  
 84   84   8  0.922  0.255  -0.542  
 85   85   8  0.984  0.279  -0.543  
 86   86   8  0.980  0.390   0.035  
 87   87   8  0.974  0.457   0.972  
 88   88   7  0.952  0.320  -0.236  
 89   89   7  0.966  0.255  -0.549  
 90   90   8  0.901  0.255  -0.252  
 91   91   5  0.963  0.145  -0.842  
 92   92   6  0.944  0.159  -0.709  
 93   93   8  0.897  0.177  -0.687  
 94   94   8  0.963  0.219  -0.818  
 95   95   9  0.928  0.229  -0.599  
 96   96  11  0.915  0.252  -0.589  
 97   97   8  0.932  0.286  -0.041  
 98   98   8  0.980  0.291  -0.489  
 99   99  12  0.971  0.424   0.197  
100  100   8  0.985  0.376  -0.100  
101  101   7  0.983  0.350   0.247  
102  102   8  0.978  0.301  -0.443  
103  103   9  0.974  0.471   0.782  
104  104   8  0.986  0.282  -0.530  
105  105   8  0.968  0.254  -0.658  
106  106   9  0.952  0.241  -0.533  
107  107   8  0.975  0.185  -0.973  
108  108   4  0.940  0.107  -0.950  
109  109   8  0.980  0.098  -1.347  
110  110   7  0.962  0.132  -0.981  
111  111   6  0.955  0.204  -0.515  
112  112   7  0.959  0.327  -0.202  
113  113   7  0.977  0.331  -0.183  
114  114   5  0.981  0.297  -0.078  
115  115   8  0.979  0.286  -0.511  
116  116   8  0.877  0.311   0.107  
117  117   8  0.873  0.394   0.144  
118  118   8  0.744  0.413   0.069  
119  119   8  0.637  1.010   4.156  
120  120   8  0.810  0.501   0.560  
121  121   5  0.834  0.253  -0.299  
122  122   7  0.791  0.248  -0.583  
123  123  11  0.840  0.218  -0.770  
124  124   8  0.957  0.336  -0.221  
125  125   8  0.938  0.248  -0.292  
126  126   8  0.964  0.151  -1.097  
127  127   8  0.946  0.158  -0.818  
128  128   5  0.980  0.152  -0.807  
129  129   8  0.986  0.155  -1.110  
130  130   5  0.981  0.082  -1.158  
131  131   5  0.974  0.182  -0.656  
132  132  11  0.951  0.342  -0.109  
133  133   8  0.983  0.135  -1.202  
134  134   4  0.943  0.172  -0.615  
135  135   6  0.975  0.109  -1.030  
136  136   7  0.931  0.199  -0.622  
137  137   7  0.983  0.204  -0.795  
138  138   8  0.988  0.183  -0.945  
139  139   7  0.977  0.149  -0.890  
140  140   8  0.973  0.176  -1.014  
141  141   7  0.859  0.258  -0.535  
142  142   6  0.903  0.453   0.905  
143  143   7  0.852  0.560   1.407  
144  144   5  0.898  0.338  -0.131  
145  145   4  0.871  0.160  -0.677  
146  146  11  0.872  0.220  -0.759  
147  147   4  0.904  0.209  -0.425  
148  148   8  0.982  0.258  -0.590  
149  149   9  0.907  0.242  -0.528  
150  150   5  0.989  0.228  -0.425  
151  151   8  0.982  0.203  -0.891  
152  152   9  0.942  0.268  -0.510  
153  153   8  0.976  0.187  -0.926  
154  154   5  0.992  0.138  -0.877  
155  155   8  0.970  0.246  -0.694  
156  156   8  0.945  0.192  -0.619  
157  157  11  0.912  0.314  -0.258  
158  158  10  0.910  0.286  -0.206  
159  159   9  0.870  0.504   0.966  
160  160   5  0.941  0.367   0.273  
161  161   8  0.947  0.205  -0.521  
162  162   6  0.964  0.339   0.279  
163  163   8  0.926  0.540   1.412  
164  164   8  0.928  0.470   0.330  
165  165   9  0.910  0.354   0.084  
166  166   8  0.968  0.222  -0.804  
167  167   7  0.979  0.177  -0.925  
168  168  10  0.912  0.296  -0.152  
169  169  12  0.947  0.277  -0.520  
170  170   7  0.971  0.158  -0.841  
171  171   9  0.922  0.240  -0.505  
172  172   7  0.966  0.176  -0.745  
173  173   8  0.979  0.301  -0.443  
174  174   8  0.971  0.261  -0.626  
175  175  11  0.929  0.242  -0.642  
176  176   9  0.955  0.347   0.046  
177  177   5  0.983  0.150  -0.817  
178  178   8  0.931  0.247  -0.298  
179  179   8  0.973  0.270  -0.585  
180  180   8  0.986  0.352  -0.210  
181  181   5  0.974  0.184  -0.646  
182  182   9  0.940  0.294  -0.204  
183  183   9  0.939  0.231  -0.555  
184  184   8  0.975  0.329  -0.177  
185  185   6  0.939  0.313   0.137  
186  186   5  0.983  0.354   0.208  
187  187   9  0.900  0.517   1.038  
188  188   8  0.977  0.318  -0.306  
189  189   7  0.973  0.227  -0.472  
190  190   7  0.898  0.302  -0.070  
191  191  11  0.953  0.166  -1.047  
192  192   9  0.961  0.165  -0.923  
193  193  11  0.911  0.340  -0.120  
194  194  11  0.936  0.229  -0.711  
195  195  14  0.982  0.190  -0.915  
196  196   8  0.985  0.244  -0.703  
197  197   4  0.983  0.214  -0.399  
198  198   8  0.988  0.185  -0.973  
199  199   9  0.974  0.261  -0.388  
200  200   8  0.968  0.229  -0.670  
201  201   8  0.961  0.272  -0.575  
202  202   9  0.946  0.212  -0.691  
203  203   4  0.958  0.225  -0.342  
204  204   8  0.931  0.200  -0.573  
205  205   8  0.943  0.224  -0.751  
206  206  12  0.970  0.273  -0.539  
207  207   6  0.985  0.136  -0.835  
208  208  11  0.855  0.320  -0.226  
209  209   5  0.963  0.150  -0.817  
210  210  12  0.961  0.278  -0.515  
211  211   5  0.961  0.214  -0.495  
212  212   4  0.932  0.165  -0.651  
213  213   8  0.874  0.440   0.828  
214  214   5  0.953  0.124  -0.947  
215  215   5  0.971  0.123  -0.952  
216  216   8  0.922  0.173  -0.730  
217  217   5  0.966  0.148  -1.135  
218  218   8  0.969  0.163  -1.074  
219  219   8  0.959  0.123  -1.022  
220  220   8  0.965  0.284  -0.467  
221  221   5  0.982  0.136  -0.887  
222  222   8  0.965  0.179  -1.000  
223  223   5  0.953  0.151  -0.812  
224  224   8  0.955  0.370   0.457  
225  225   8  0.976  0.280  -0.539  
226  226   6  0.925  0.159  -0.709  
227  227   8  0.905  0.391   0.542  
228  228   9  0.896  0.304  -0.189  
229  229   8  0.962  0.299  -0.396  
230  230   8  0.820  0.318   0.116  
231  231   8  0.898  0.180  -0.689  
232  232   7  0.957  0.169  -0.782  
233  233   5  0.977  0.166  -0.736  
234  234   8  0.993  0.231  -0.763  
235  235  10  0.931  0.203  -0.657  
236  236   8  0.965  0.211  -0.813  
237  237   5  0.984  0.185  -0.641  
238  238   8  0.955  0.191  -0.625  
239  239   5  0.983  0.167  -0.731  
240  240  11  0.957  0.255  -0.573  
241  241  12  0.968  0.175  -1.017  
242  242   9  0.967  0.152  -0.995  
243  243   7  0.985  0.156  -0.825  
244  244   8  0.986  0.122  -1.234  
245  245   5  0.984  0.142  -0.857  
246  246   5  0.983  0.100  -1.068  
247  247   8  0.985  0.129  -1.201  
248  248   6  0.953  0.192  -0.580  
249  249   8  0.951  0.293  -0.030  
250  250   5  0.982  0.194  -0.596  
251  251   7  0.983  0.264  -0.506  
252  252   6  0.784  0.345   0.312  
253  253   6  0.879  0.290   0.010  
254  254   8  0.874  0.215  -0.739  
255  255   5  0.954  0.231  -0.410  
256  256   6  0.944  0.206  -0.451  
257  257   8  0.979  0.194  -0.932  
258  258   8  0.966  0.194  -0.843  
259  259   9  0.962  0.210  -0.702  
260  260   7  0.994  0.210  -0.766  
261  261  11  0.965  0.292  -0.376  
262  262   8  0.956  0.235  -0.368  
263  263   8  0.972  0.245  -0.591  
264  264   8  0.981  0.217  -0.827  
265  265   5  0.975  0.120  -0.967  
266  266   8  0.966  0.148  -1.142  
267  267   9  0.979  0.152  -0.995  
268  268   4  0.955  0.095  -1.012  
269  269  11  0.943  0.162  -1.068  
270  270   8  0.951  0.311  -0.266  
271  271   9  0.920  0.388   0.270  
272  272   5  0.987  0.229  -0.420  
273  273   9  0.937  0.312  -0.281  
274  274   9  0.968  0.198  -0.739  
275  275   8  0.991  0.284  -0.521  
276  276   6  0.965  0.320   0.175  
277  277   5  0.957  0.306  -0.033  
278  278  11  0.941  0.277  -0.456  
279  279   8  0.957  0.362  -0.164  
280  280   9  0.885  0.465   0.749  
281  281   7  0.962  0.191  -0.631  
282  282   7  0.970  0.264  -0.273  
283  283   9  0.938  0.316  -0.081  
284  284   7  0.977  0.142  -0.927  
285  285   8  0.988  0.221  -0.809  
286  286   8  0.988  0.283  -0.472  
287  287   8  0.894  0.301   0.017  
288  288   5  0.982  0.143  -0.852  
289  289   8  0.980  0.176  -0.932  
290  290   8  0.985  0.245  -0.699  
291  291   9  0.951  0.209  -0.708  
292  292  11  0.970  0.173  -1.010  
293  293   8  0.985  0.188  -0.873  
294  294   9  0.921  0.208  -0.713  
295  295   5  0.978  0.123  -0.952  
296  296   8  0.983  0.129  -1.164  
297  297   4  0.960  0.153  -0.713  
298  298   9  0.967  0.190  -0.916  
299  299   7  0.989  0.173  -0.945  
300  300   7  0.970  0.149  -1.060  
301  301  11  0.876  0.437   0.397  
302  302   8  0.954  0.414   0.148  
303  303   6  0.943  0.296   0.043  
304  304   9  0.695  0.345   0.035  
305  305   9  0.902  0.252  -0.438  
306  306   9  0.882  0.446   0.587  
307  307  14  0.912  0.267  -0.535  
308  308  14  0.965  0.310  -0.323  
309  309   5  0.982  0.147  -0.832  
310  310   8  0.943  0.159  -1.092  
311  311  11  0.699  0.445   0.440  
312  312   8  0.479  0.835   1.998  
#
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  
##
