data_4WUR

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4WUR
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4WUR
_pdbx_vrpt_summary.PDB_deposition_date         2014-11-03
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2024-01-10
_pdbx_vrpt_summary.report_creation_date        2024-01-02:17:19
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,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      "Papain-like protease"  
2  polymer      Polyubiquitin-B  
3  non-polymer  "ISOPROPYL ALCOHOL"  
4  non-polymer  "ZINC ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.16  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   11.86  141614     ?     ?  
 2  2  1   39.75    1804  3.12  3.20  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1770  3.12  3.20  
 5  1  3   26.74  138945     ?     ?  
 6  2  3   60.49    1769  3.12  3.20  
 7  1  4   12.30  127900     ?     ?  
 8  2  4    6.06    1616  3.12  3.20  
 9  1  5   36.52  130704     ?     ?  
10  2  5   78.86    1665  3.12  3.20  
#
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   47.07  
 4  6  3  A  1  1  A   75.07  
 5  7  4  A  1  1  A   21.33  
 6  8  4  A  1  1  A   11.14  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B    1.77  
10  6  3  B  1  2  B    9.07  
11  7  4  B  1  2  B    1.37  
12  8  4  B  1  2  B    0.81  
#
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  0.86  0.61  2388  3254  
2  1  2  B  B  0.96  0.44   487   654  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.63
_pdbx_vrpt_summary_geometry.clashscore                     17.18
_pdbx_vrpt_summary_geometry.num_H_reduce                   2603
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2875
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.58
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                3908
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.88
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            95.813
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         88.908
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.54(3.15A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10889
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.331
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.504
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.338
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.906
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.039
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.16
_pdbx_vrpt_summary_diffraction.EDS_res_low               18.61
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[85.141,85.141,97.354,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.137
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.04% 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         99.94
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      532
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.89
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     7.93
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.16
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        39.88
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_symm_clashes
  1  1  1  A    9  THR  A    3  .  ?        ?     ?     ?  
  2  1  1  A   10  ILE  A    4  .  ?        ?     ?     ?  
  3  1  1  A   11  GLU  A    5  .  ?        ?     ?     ?  
  4  1  1  A   12  VAL  A    6  .  ?        ?     2     ?  
  5  1  1  A   13  LEU  A    7  .  ?        ?     ?     ?  
  6  1  1  A   14  VAL  A    8  .  ?        ?     ?     ?  
  7  1  1  A   15  THR  A    9  .  ?        ?     ?     ?  
  8  1  1  A   16  VAL  A   10  .  ?        ?     ?     ?  
  9  1  1  A   17  ASP  A   11  .  ?        ?     ?     ?  
 10  1  1  A   18  GLY  A   12  .  ?        ?     ?     ?  
 11  1  1  A   19  VAL  A   13  .  ?        ?     ?     ?  
 12  1  1  A   20  ASN  A   14  .  ?        ?     ?     ?  
 13  1  1  A   21  PHE  A   15  .  ?        ?     ?     ?  
 14  1  1  A   22  ARG  A   16  .  ?        ?     ?     ?  
 15  1  1  A   23  THR  A   17  .  ?        ?     ?     1  
 16  1  1  A   24  VAL  A   18  .  ?        ?     ?     ?  
 17  1  1  A   25  VAL  A   19  .  ?        ?     ?     ?  
 18  1  1  A   26  LEU  A   20  .  ?        ?     ?     ?  
 19  1  1  A   27  ASN  A   21  .  ?        ?     ?     ?  
 20  1  1  A   28  ASN  A   22  .  ?        ?     ?     ?  
 21  1  1  A   29  LYS  A   23  .  ?        ?     ?     ?  
 22  1  1  A   30  ASN  A   24  .  ?        ?     ?     ?  
 23  1  1  A   31  THR  A   25  .  ?        ?     ?     ?  
 24  1  1  A   32  TYR  A   26  .  ?        ?     ?     ?  
 25  1  1  A   33  ARG  A   27  .  ?        ?     ?     ?  
 26  1  1  A   34  SER  A   28  .  ?        ?     ?     ?  
 27  1  1  A   35  GLN  A   29  .  ?        ?     ?     ?  
 28  1  1  A   36  LEU  A   30  .  ?        ?     ?     ?  
 29  1  1  A   37  GLY  A   31  .  ?        ?     ?     ?  
 30  1  1  A   38  CYS  A   32  .  ?        ?     ?     ?  
 31  1  1  A   39  VAL  A   33  .  ?        ?     ?     ?  
 32  1  1  A   40  PHE  A   34  .  ?        ?     ?     ?  
 33  1  1  A   41  PHE  A   35  .  ?        ?     2     ?  
 34  1  1  A   42  ASN  A   36  .  ?        ?     ?     ?  
 35  1  1  A   43  GLY  A   37  .  ?        ?     ?     ?  
 36  1  1  A   44  ALA  A   38  .  ?        ?     ?     ?  
 37  1  1  A   45  ASP  A   39  .  ?        ?     ?     ?  
 38  1  1  A   46  ILE  A   40  .  ?        ?     2     ?  
 39  1  1  A   47  SER  A   41  .  ?        ?     ?     ?  
 40  1  1  A   48  ASP  A   42  .  ?        ?     ?     ?  
 41  1  1  A   49  THR  A   43  .  ?        ?     ?     ?  
 42  1  1  A   50  ILE  A   44  .  ?        ?     3     ?  
 43  1  1  A   51  PRO  A   45  .  ?        ?     1     ?  
 44  1  1  A   52  ASP  A   46  .  ?        ?     ?     ?  
 45  1  1  A   53  GLU  A   47  .  ?        ?     ?     ?  
 46  1  1  A   54  LYS  A   48  .  ?        ?     ?     ?  
 47  1  1  A   55  GLN  A   49  .  ?        ?     1     ?  
 48  1  1  A   56  ASN  A   50  .  ?        ?     ?     ?  
 49  1  1  A   57  GLY  A   51  .  ?        ?     ?     ?  
 50  1  1  A   58  HIS  A   52  .  ?        ?     ?     ?  
 51  1  1  A   59  SER  A   53  .  ?        ?     ?     ?  
 52  1  1  A   60  LEU  A   54  .  ?        ?     3     ?  
 53  1  1  A   61  TYR  A   55  .  ?        ?     ?     ?  
 54  1  1  A   62  LEU  A   56  .  ?        1     ?     ?  
 55  1  1  A   63  ALA  A   57  .  ?        ?     ?     ?  
 56  1  1  A   64  ASP  A   58  .  ?        ?     ?     ?  
 57  1  1  A   65  ASN  A   59  .  ?        ?     ?     ?  
 58  1  1  A   66  LEU  A   60  .  ?        ?     2     ?  
 59  1  1  A   67  THR  A   61  .  ?        ?     3     ?  
 60  1  1  A   68  ALA  A   62  .  ?        ?     1     ?  
 61  1  1  A   69  ASP  A   63  .  ?        ?     2     ?  
 62  1  1  A   70  GLU  A   64  .  ?        ?     ?     ?  
 63  1  1  A   71  THR  A   65  .  ?        ?     ?     ?  
 64  1  1  A   72  LYS  A   66  .  ?        ?     ?     ?  
 65  1  1  A   73  ALA  A   67  .  ?        ?     ?     ?  
 66  1  1  A   74  LEU  A   68  .  ?        ?     1     ?  
 67  1  1  A   75  LYS  A   69  .  ?        ?     ?     ?  
 68  1  1  A   76  GLU  A   70  .  ?        ?     ?     ?  
 69  1  1  A   77  LEU  A   71  .  ?        ?     2     ?  
 70  1  1  A   78  TYR  A   72  .  ?        ?     1     ?  
 71  1  1  A   79  GLY  A   73  .  ?        ?     ?     ?  
 72  1  1  A   80  PRO  A   74  .  ?        ?     ?     ?  
 73  1  1  A   81  VAL  A   75  .  ?        ?     ?     ?  
 74  1  1  A   82  ASP  A   76  .  ?        ?     ?     ?  
 75  1  1  A   83  PRO  A   77  .  ?        ?     ?     ?  
 76  1  1  A   84  THR  A   78  .  ?        ?     ?     ?  
 77  1  1  A   85  PHE  A   79  .  ?        ?     ?     ?  
 78  1  1  A   86  LEU  A   80  .  ?        ?     1     ?  
 79  1  1  A   87  HIS  A   81  .  ?        ?     ?     ?  
 80  1  1  A   88  ARG  A   82  .  ?        ?     ?     ?  
 81  1  1  A   89  PHE  A   83  .  ?        ?     1     ?  
 82  1  1  A   90  TYR  A   84  .  ?        ?     1     ?  
 83  1  1  A   91  SER  A   85  .  ?        ?     ?     ?  
 84  1  1  A   92  LEU  A   86  .  ?        ?     ?     ?  
 85  1  1  A   93  LYS  A   87  .  ?        ?     ?     ?  
 86  1  1  A   94  ALA  A   88  .  ?        ?     ?     ?  
 87  1  1  A   95  ALA  A   89  .  ?        ?     ?     ?  
 88  1  1  A   96  VAL  A   90  .  ?        ?     8     ?  
 89  1  1  A   97  HIS  A   91  .  ?        ?     ?     ?  
 90  1  1  A   98  GLY  A   92  .  ?        ?     ?     ?  
 91  1  1  A   99  TRP  A   93  .  ?        ?     3     ?  
 92  1  1  A  100  LYS  A   94  .  ?        ?     ?     ?  
 93  1  1  A  101  MET  A   95  .  ?        ?     ?     ?  
 94  1  1  A  102  VAL  A   96  .  ?        ?     ?     ?  
 95  1  1  A  103  VAL  A   97  .  ?        ?     1     ?  
 96  1  1  A  104  CYS  A   98  .  ?        ?     ?     ?  
 97  1  1  A  105  ASP  A   99  .  ?        ?     ?     1  
 98  1  1  A  106  LYS  A  100  .  ?        ?     ?     ?  
 99  1  1  A  107  VAL  A  101  .  ?        ?     ?     ?  
100  1  1  A  108  ARG  A  102  .  ?        ?     1     ?  
101  1  1  A  109  SER  A  103  .  ?        ?     ?     ?  
102  1  1  A  110  LEU  A  104  .  ?        ?     ?     ?  
103  1  1  A  111  LYS  A  105  .  ?        ?     ?     ?  
104  1  1  A  112  LEU  A  106  .  ?        ?     3     ?  
105  1  1  A  113  SER  A  107  .  ?        ?     ?     ?  
106  1  1  A  114  ASP  A  108  .  ?        ?     1     ?  
107  1  1  A  115  ASN  A  109  .  ?        ?     1     ?  
108  1  1  A  116  ASN  A  110  .  ?        ?     ?     ?  
109  1  1  A  117  SER  A  111  .  ?        ?     ?     ?  
110  1  1  A  118  TYR  A  112  .  ?        ?     ?     ?  
111  1  1  A  119  LEU  A  113  .  ?        ?     ?     ?  
112  1  1  A  120  ASN  A  114  .  ?        ?     ?     ?  
113  1  1  A  121  ALA  A  115  .  ?        ?     ?     ?  
114  1  1  A  122  VAL  A  116  .  ?        ?     ?     ?  
115  1  1  A  123  ILE  A  117  .  ?        ?     ?     ?  
116  1  1  A  124  MET  A  118  .  ?        ?     ?     ?  
117  1  1  A  125  THR  A  119  .  ?        ?     ?     ?  
118  1  1  A  126  LEU  A  120  .  ?        ?     ?     ?  
119  1  1  A  127  ASP  A  121  .  ?        ?     ?     ?  
120  1  1  A  128  LEU  A  122  .  ?        ?     ?     ?  
121  1  1  A  129  LEU  A  123  .  ?        ?     ?     ?  
122  1  1  A  130  LYS  A  124  .  ?        ?     ?     ?  
123  1  1  A  131  ASP  A  125  .  ?        ?     ?     ?  
124  1  1  A  132  ILE  A  126  .  ?        ?     ?     ?  
125  1  1  A  133  LYS  A  127  .  ?        ?     ?     ?  
126  1  1  A  134  PHE  A  128  .  ?        ?     ?     ?  
127  1  1  A  135  VAL  A  129  .  ?        ?     ?     ?  
128  1  1  A  136  ILE  A  130  .  ?        ?     ?     ?  
129  1  1  A  137  PRO  A  131  .  ?        ?     1     ?  
130  1  1  A  138  ALA  A  132  .  ?        ?     1     ?  
131  1  1  A  139  LEU  A  133  .  ?        ?     ?     ?  
132  1  1  A  140  GLN  A  134  .  ?        ?     ?     ?  
133  1  1  A  141  HIS  A  135  .  ?        ?     ?     ?  
134  1  1  A  142  ALA  A  136  .  ?        ?     ?     ?  
135  1  1  A  143  PHE  A  137  .  ?        ?     ?     ?  
136  1  1  A  144  MET  A  138  .  ?        ?     ?     ?  
137  1  1  A  145  LYS  A  139  .  ?        ?     ?     ?  
138  1  1  A  146  HIS  A  140  .  ?        ?     ?     ?  
139  1  1  A  147  LYS  A  141  .  ?        ?     ?     ?  
140  1  1  A  148  GLY  A  142  .  ?        ?     ?     ?  
141  1  1  A  149  GLY  A  143  .  ?        ?     ?     ?  
142  1  1  A  150  ASP  A  144  .  ?        ?     ?     ?  
143  1  1  A  151  SER  A  145  .  ?        ?     ?     ?  
144  1  1  A  152  THR  A  146  .  ?        ?     ?     ?  
145  1  1  A  153  ASP  A  147  .  ?        ?     ?     ?  
146  1  1  A  154  PHE  A  148  .  ?        ?     2     ?  
147  1  1  A  155  ILE  A  149  .  ?        ?     1     ?  
148  1  1  A  156  ALA  A  150  .  ?        ?     ?     ?  
149  1  1  A  157  LEU  A  151  .  ?        ?     2     ?  
150  1  1  A  158  ILE  A  152  .  ?        ?     4     ?  
151  1  1  A  159  MET  A  153  .  ?        ?     1     ?  
152  1  1  A  160  ALA  A  154  .  ?        ?     ?     ?  
153  1  1  A  161  TYR  A  155  .  ?        ?     1     ?  
154  1  1  A  162  GLY  A  156  .  ?        ?     ?     ?  
155  1  1  A  163  ASN  A  157  .  ?        ?     ?     ?  
156  1  1  A  164  CYS  A  158  .  ?        ?     ?     ?  
157  1  1  A  165  THR  A  159  .  ?        ?     ?     ?  
158  1  1  A  166  PHE  A  160  .  ?        ?     ?     ?  
159  1  1  A  167  GLY  A  161  .  ?        ?     1     ?  
160  1  1  A  168  ALA  A  162  .  ?        ?     ?     ?  
161  1  1  A  169  PRO  A  163  .  ?        ?     1     ?  
162  1  1  A  170  ASP  A  164  .  ?        ?     ?     ?  
163  1  1  A  171  ASP  A  165  .  ?        ?     ?     ?  
164  1  1  A  172  ALA  A  166  .  ?        ?     ?     ?  
165  1  1  A  173  SER  A  167  .  ?        ?     ?     ?  
166  1  1  A  174  ARG  A  168  .  ?        ?     2     ?  
167  1  1  A  175  LEU  A  169  .  ?        ?     ?     ?  
168  1  1  A  176  LEU  A  170  .  ?        ?     ?     ?  
169  1  1  A  177  HIS  A  171  .  ?        ?     ?     ?  
170  1  1  A  178  THR  A  172  .  ?        ?     1     ?  
171  1  1  A  179  VAL  A  173  .  ?        ?     ?     ?  
172  1  1  A  180  LEU  A  174  .  ?        ?     2     ?  
173  1  1  A  181  ALA  A  175  .  ?        ?     ?     ?  
174  1  1  A  182  LYS  A  176  .  ?        ?     ?     ?  
175  1  1  A  183  ALA  A  177  .  ?        ?     ?     ?  
176  1  1  A  184  GLU  A  178  .  ?        ?     ?     ?  
177  1  1  A  185  LEU  A  179  .  ?        ?     ?     ?  
178  1  1  A  186  CYS  A  180  .  ?        ?     ?     ?  
179  1  1  A  187  CYS  A  181  .  ?        ?     ?     ?  
180  1  1  A  188  SER  A  182  .  ?        ?     ?     ?  
181  1  1  A  189  ALA  A  183  .  ?        ?     1     ?  
182  1  1  A  190  ARG  A  184  .  ?        ?     ?     ?  
183  1  1  A  191  MET  A  185  .  ?        ?     4     ?  
184  1  1  A  192  VAL  A  186  .  ?        ?     1     ?  
185  1  1  A  193  TRP  A  187  .  ?        ?     2     ?  
186  1  1  A  194  ARG  A  188  .  ?        ?     ?     ?  
187  1  1  A  195  GLU  A  189  .  ?        ?     ?     ?  
188  1  1  A  196  TRP  A  190  .  ?        ?     ?     ?  
189  1  1  A  197  CYS  A  191  .  ?        ?     2     ?  
190  1  1  A  198  ASN  A  192  .  ?        ?     ?     ?  
191  1  1  A  199  VAL  A  193  .  ?        ?     4     ?  
192  1  1  A  200  CYS  A  194  .  ?        ?     2     ?  
193  1  1  A  201  GLY  A  195  .  ?        ?     ?     ?  
194  1  1  A  202  ILE  A  196  .  ?        ?     ?     ?  
195  1  1  A  203  LYS  A  197  .  ?        ?     ?     ?  
196  1  1  A  204  ASP  A  198  .  ?        ?     ?     ?  
197  1  1  A  205  VAL  A  199  .  ?        ?     ?     ?  
198  1  1  A  206  VAL  A  200  .  ?        ?     ?     ?  
199  1  1  A  207  LEU  A  201  .  ?        ?     1     ?  
200  1  1  A  208  GLN  A  202  .  ?        ?     ?     ?  
201  1  1  A  209  GLY  A  203  .  ?        ?     ?     ?  
202  1  1  A  210  LEU  A  204  .  ?        ?     2     ?  
203  1  1  A  211  LYS  A  205  .  ?        ?     ?     ?  
204  1  1  A  212  ALA  A  206  .  ?        ?     ?     ?  
205  1  1  A  213  CYS  A  207  .  ?        ?     ?     ?  
206  1  1  A  214  CYS  A  208  .  ?        ?     1     ?  
207  1  1  A  215  TYR  A  209  .  ?        ?     ?     ?  
208  1  1  A  216  VAL  A  210  .  ?        ?     ?     ?  
209  1  1  A  217  GLY  A  211  .  ?        ?     ?     ?  
210  1  1  A  218  VAL  A  212  .  ?        ?     1     ?  
211  1  1  A  219  GLN  A  213  .  ?        ?     ?     ?  
212  1  1  A  220  THR  A  214  .  ?        ?     ?     ?  
213  1  1  A  221  VAL  A  215  .  ?        ?     ?     ?  
214  1  1  A  222  GLU  A  216  .  ?        ?     ?     ?  
215  1  1  A  223  ASP  A  217  .  ?        ?     1     ?  
216  1  1  A  224  LEU  A  218  .  ?        ?     ?     ?  
217  1  1  A  225  ARG  A  219  .  ?        ?     ?     ?  
218  1  1  A  226  ALA  A  220  .  ?        ?     ?     ?  
219  1  1  A  227  ARG  A  221  .  ?        ?     ?     ?  
220  1  1  A  228  MET  A  222  .  ?        ?     ?     ?  
221  1  1  A  229  THR  A  223  .  ?        ?     ?     ?  
222  1  1  A  230  TYR  A  224  .  ?        ?     1     ?  
223  1  1  A  231  VAL  A  225  .  ?        ?     ?     ?  
224  1  1  A  232  CYS  A  226  .  ?        ?     2     ?  
225  1  1  A  233  GLN  A  227  .  ?        ?     1     ?  
226  1  1  A  234  CYS  A  228  .  ?        ?     ?     ?  
227  1  1  A  235  GLY  A  229  .  ?        ?     ?     ?  
228  1  1  A  236  GLY  A  230  .  ?        ?     1     ?  
229  1  1  A  237  GLU  A  231  .  ?        ?     1     ?  
230  1  1  A  238  ARG  A  232  .  ?        ?     ?     ?  
231  1  1  A  239  HIS  A  233  .  ?        ?     ?     ?  
232  1  1  A  240  ARG  A  234  .  ?        ?     ?     ?  
233  1  1  A  241  GLN  A  235  .  ?        ?     ?     ?  
234  1  1  A  242  LEU  A  236  .  ?        ?     1     ?  
235  1  1  A  243  VAL  A  237  .  ?        ?     2     ?  
236  1  1  A  244  GLU  A  238  .  ?        ?     ?     ?  
237  1  1  A  245  HIS  A  239  .  ?        ?     1     ?  
238  1  1  A  246  THR  A  240  .  ?        ?     2     ?  
239  1  1  A  247  THR  A  241  .  ?        ?     ?     ?  
240  1  1  A  248  PRO  A  242  .  ?        ?     ?     ?  
241  1  1  A  249  TRP  A  243  .  ?        ?     ?     ?  
242  1  1  A  250  LEU  A  244  .  ?        ?     ?     ?  
243  1  1  A  251  LEU  A  245  .  ?        ?     1     ?  
244  1  1  A  252  LEU  A  246  .  ?        ?     ?     ?  
245  1  1  A  253  SER  A  247  .  ?        ?     ?     ?  
246  1  1  A  254  GLY  A  248  .  ?        ?     ?     ?  
247  1  1  A  255  THR  A  249  .  ?        ?     ?     ?  
248  1  1  A  256  PRO  A  250  .  ?        ?     ?     ?  
249  1  1  A  257  ASN  A  251  .  ?        ?     ?     ?  
250  1  1  A  258  GLU  A  252  .  ?        ?     ?     ?  
251  1  1  A  259  LYS  A  253  .  ?        ?     ?     ?  
252  1  1  A  260  LEU  A  254  .  ?        ?     ?     ?  
253  1  1  A  261  VAL  A  255  .  ?        ?     1     ?  
254  1  1  A  262  THR  A  256  .  ?        ?     ?     ?  
255  1  1  A  263  THR  A  257  .  ?        ?     ?     ?  
256  1  1  A  264  SER  A  258  .  ?        ?     ?     ?  
257  1  1  A  265  THR  A  259  .  ?        ?     ?     ?  
258  1  1  A  266  ALA  A  260  .  ?        ?     ?     ?  
259  1  1  A  267  PRO  A  261  .  ?        ?     ?     ?  
260  1  1  A  268  ASP  A  262  .  ?        ?     ?     ?  
261  1  1  A  269  PHE  A  263  .  ?        ?     1     ?  
262  1  1  A  270  VAL  A  264  .  ?        ?     ?     ?  
263  1  1  A  271  ALA  A  265  .  ?        ?     ?     ?  
264  1  1  A  272  PHE  A  266  .  ?        ?     ?     ?  
265  1  1  A  273  ASN  A  267  .  ?        ?     ?     ?  
266  1  1  A  274  VAL  A  268  .  ?        ?     1     ?  
267  1  1  A  275  PHE  A  269  .  ?        ?     1     ?  
268  1  1  A  276  GLN  A  270  .  ?        ?     ?     ?  
269  1  1  A  277  GLY  A  271  .  ?        ?     ?     ?  
270  1  1  A  278  ILE  A  272  .  ?        ?     2     ?  
271  1  1  A  279  GLU  A  273  .  ?        ?     ?     ?  
272  1  1  A  280  THR  A  274  .  ?        ?     ?     ?  
273  1  1  A  281  ALA  A  275  .  ?        ?     2     ?  
274  1  1  A  282  VAL  A  276  .  ?        ?     ?     ?  
275  1  1  A  283  GLY  A  277  .  ?        ?     1     ?  
276  1  1  A  284  HIS  A  278  .  ?        ?     1     ?  
277  1  1  A  285  TYR  A  279  .  ?        ?     ?     ?  
278  1  1  A  286  VAL  A  280  .  ?        ?     2     ?  
279  1  1  A  287  HIS  A  281  .  ?        ?     ?     ?  
280  1  1  A  288  ALA  A  282  .  ?        ?     ?     ?  
281  1  1  A  289  ARG  A  283  .  ?        ?     ?     ?  
282  1  1  A  290  LEU  A  284  .  ?        ?     1     ?  
283  1  1  A  291  LYS  A  285  .  ?        ?     ?     ?  
284  1  1  A  292  GLY  A  286  .  ?        ?     ?     ?  
285  1  1  A  293  GLY  A  287  .  ?        ?     ?     ?  
286  1  1  A  294  LEU  A  288  .  ?        ?     ?     ?  
287  1  1  A  295  ILE  A  289  .  ?        ?     ?     ?  
288  1  1  A  296  LEU  A  290  .  ?        ?     ?     ?  
289  1  1  A  297  LYS  A  291  .  ?        ?     ?     ?  
290  1  1  A  298  PHE  A  292  .  ?        ?     ?     ?  
291  1  1  A  299  ASP  A  293  .  ?        ?     2     ?  
292  1  1  A  300  SER  A  294  .  ?        ?     2     ?  
293  1  1  A  301  GLY  A  295  .  ?        ?     ?     ?  
294  1  1  A  302  THR  A  296  .  ?        ?     ?     ?  
295  1  1  A  303  VAL  A  297  .  ?        ?     ?     ?  
296  1  1  A  304  SER  A  298  .  ?        ?     ?     ?  
297  1  1  A  305  LYS  A  299  .  ?        ?     ?     ?  
298  1  1  A  306  THR  A  300  .  ?        ?     ?     ?  
299  1  1  A  307  SER  A  301  .  ?        ?     ?     ?  
300  1  1  A  308  ASP  A  302  .  ?        ?     1     ?  
301  1  1  A  309  TRP  A  303  .  ?        ?     ?     ?  
302  1  1  A  310  LYS  A  304  .  ?        ?     ?     ?  
303  1  1  A  311  CYS  A  305  .  ?        ?     1     ?  
304  1  1  A  312  LYS  A  306  .  ?        ?     ?     ?  
305  1  1  A  313  VAL  A  307  .  ?        ?     1     ?  
306  1  1  A  314  THR  A  308  .  ?        ?     ?     ?  
307  1  1  A  315  ASP  A  309  .  ?        ?     ?     ?  
308  1  1  A  316  VAL  A  310  .  ?        ?     1     ?  
309  1  1  A  317  LEU  A  311  .  ?        ?     ?     ?  
310  1  1  A  318  PHE  A  312  .  ?        ?     ?     ?  
311  1  1  A  319  PRO  A  313  .  ?        ?     1     ?  
312  1  1  A  320  GLY  A  314  .  ?        ?     ?     ?  
313  1  1  A  321  GLN  A  315  .  ?        ?     2     ?  
314  1  1  A  322  LYS  A  316  .  ?        ?     ?     ?  
315  1  1  A  323  TYR  A  317  .  ?        ?     ?     ?  
316  1  1  A  324  SER  A  318  .  ?        ?     ?     ?  
317  1  1  A  325  SER  A  319  .  ?        ?     ?     ?  
318  1  2  B    3  ILE  B    3  .  ?        ?     ?     ?  
319  1  2  B    4  PHE  B    4  .  ?        ?     ?     ?  
320  1  2  B    5  VAL  B    5  .  ?        ?     4     ?  
321  1  2  B    6  LYS  B    6  .  ?        ?     ?     ?  
322  1  2  B    7  THR  B    7  .  ?        ?     ?     ?  
323  1  2  B    8  LEU  B    8  .  ?        ?     ?     ?  
324  1  2  B    9  THR  B    9  .  ?        ?     ?     ?  
325  1  2  B   10  GLY  B   10  .  ?        ?     ?     ?  
326  1  2  B   11  LYS  B   11  .  ?        ?     ?     ?  
327  1  2  B   12  THR  B   12  .  ?        ?     ?     ?  
328  1  2  B   13  ILE  B   13  .  ?        ?     ?     ?  
329  1  2  B   14  THR  B   14  .  ?        ?     2     ?  
330  1  2  B   15  LEU  B   15  .  ?        ?     2     ?  
331  1  2  B   16  GLU  B   16  .  ?        ?     ?     ?  
332  1  2  B   17  VAL  B   17  .  ?        ?     ?     ?  
333  1  2  B   18  GLU  B   18  .  ?        ?     ?     ?  
334  1  2  B   19  PRO  B   19  .  ?        ?     ?     ?  
335  1  2  B   20  SER  B   20  .  ?        1     ?     ?  
336  1  2  B   21  ASP  B   21  .  ?        ?     ?     ?  
337  1  2  B   22  THR  B   22  .  ?        ?     ?     ?  
338  1  2  B   23  ILE  B   23  .  ?        ?     1     ?  
339  1  2  B   24  GLU  B   24  .  ?        ?     ?     ?  
340  1  2  B   25  ASN  B   25  .  ?        ?     1     ?  
341  1  2  B   26  VAL  B   26  .  ?        ?     2     ?  
342  1  2  B   27  LYS  B   27  .  ?        ?     ?     ?  
343  1  2  B   28  ALA  B   28  .  ?        ?     1     ?  
344  1  2  B   29  LYS  B   29  .  ?        ?     ?     ?  
345  1  2  B   30  ILE  B   30  .  ?        ?     ?     ?  
346  1  2  B   31  GLN  B   31  .  ?        ?     ?     ?  
347  1  2  B   32  ASP  B   32  .  ?        ?     ?     ?  
348  1  2  B   33  LYS  B   33  .  ?        ?     ?     ?  
349  1  2  B   34  GLU  B   34  .  ?        ?     ?     ?  
350  1  2  B   35  GLY  B   35  .  ?        ?     ?     ?  
351  1  2  B   36  ILE  B   36  .  ?        ?     5     ?  
352  1  2  B   37  PRO  B   37  .  ?        ?     4     ?  
353  1  2  B   38  PRO  B   38  .  ?        ?     1     ?  
354  1  2  B   39  ASP  B   39  .  ?        ?     ?     ?  
355  1  2  B   40  GLN  B   40  .  ?        ?     ?     ?  
356  1  2  B   41  GLN  B   41  .  ?        ?     2     ?  
357  1  2  B   42  ARG  B   42  .  ?        ?     ?     ?  
358  1  2  B   43  LEU  B   43  .  ?        ?     2     ?  
359  1  2  B   44  ILE  B   44  .  ?        ?     ?     ?  
360  1  2  B   45  PHE  B   45  .  ?        ?     2     ?  
361  1  2  B   46  ALA  B   46  .  ?        ?     ?     ?  
362  1  2  B   47  GLY  B   47  .  ?        ?     ?     ?  
363  1  2  B   48  LYS  B   48  .  ?        ?     ?     ?  
364  1  2  B   49  GLN  B   49  .  ?        ?     ?     ?  
365  1  2  B   50  LEU  B   50  .  ?        ?     1     ?  
366  1  2  B   51  GLU  B   51  .  ?        ?     1     ?  
367  1  2  B   52  ASP  B   52  .  ?        ?     ?     ?  
368  1  2  B   53  GLY  B   53  .  ?        ?     ?     ?  
369  1  2  B   54  ARG  B   54  .  ?        ?     ?     ?  
370  1  2  B   55  THR  B   55  .  ?        ?     4     ?  
371  1  2  B   56  LEU  B   56  .  ?        ?     1     ?  
372  1  2  B   57  SER  B   57  .  ?        ?     ?     ?  
373  1  2  B   58  ASP  B   58  .  ?        ?     4     ?  
374  1  2  B   59  TYR  B   59  .  ?        ?     1     ?  
375  1  2  B   60  ASN  B   60  .  ?        ?     ?     ?  
376  1  2  B   61  ILE  B   61  .  ?        ?     2     ?  
377  1  2  B   62  GLN  B   62  .  ?        ?     1     ?  
378  1  2  B   63  LYS  B   63  .  ?        ?     ?     ?  
379  1  2  B   64  GLU  B   64  .  ?        ?     ?     ?  
380  1  2  B   65  SER  B   65  .  ?        ?     1     ?  
381  1  2  B   66  THR  B   66  .  ?        ?     ?     ?  
382  1  2  B   67  LEU  B   67  .  ?        ?     6     ?  
383  1  2  B   68  HIS  B   68  .  ?        ?     ?     ?  
384  1  2  B   69  LEU  B   69  .  ?        1     2     ?  
385  1  2  B   70  VAL  B   70  .  ?        ?     2     ?  
386  1  2  B   71  LEU  B   71  .  ?        ?     2     ?  
387  1  2  B   72  ARG  B   72  .  ?        ?     ?     ?  
388  1  2  B   73  LEU  B   73  .  ?        ?     ?     ?  
389  1  2  B   74  ARG  B   74  .  ?        ?     1     ?  
390  1  2  B   75  GLY  B   75  .  ?        ?     ?     ?  
391  1  2  B   76  GLY  B   76  .  ?        ?     1     ?  
392  1  3  C    .  IPA  A  401  .  ?        ?     1     ?  
393  1  3  D    .  IPA  A  402  .  ?        ?     ?     ?  
394  1  4  E    .  ZN   A  403  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.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  p             ?       ?  ?           6  124.330     7  0.67    10  1.12  molprobity  1.000  
  2    2  pt       -106.5   167.3  Favored    11  116.430     8  0.48    11  1.28  molprobity  1.000  
  3    3  mt-10    -123.0   140.6  Favored     6  116.710     9  0.83    12  1.42  molprobity  1.000  
  4    4  p        -136.8   151.0  Favored     9   89.030     7  1.03    10  0.51  molprobity  1.000  
  5    5  mt        -97.5   123.1  Favored    11   94.330     8  0.35    11  0.84  molprobity  1.000  
  6    6  t        -108.7   128.1  Favored     9   83.250     7  0.99    10  1.03  molprobity  1.000  
  7    7  t        -146.6   162.6  Favored     7   77.920     7  0.37    10  0.82  molprobity  1.000  
  8    8  m        -125.6     1.4  Favored     9   92.470     7  0.85    10  0.86  molprobity  1.000  
  9    9  p30      -135.5    -6.9  Favored     4   82.700     8  0.61    11  0.68  molprobity  1.000  
 10   10  ?          75.3    12.0  Favored     3   70.670     4  0.29     5  0.43  molprobity  1.000  
 11   11  t        -126.6   -38.4  Allowed     9   70.960     7  1.06    10  0.87  molprobity  1.000  
 12   12  m120     -105.5   124.9  Favored     6   92.980     8  0.73    11  0.85  molprobity  1.000  
 13   13  m-85     -124.7   147.3  Favored     9   83.930    12  0.69    16  0.39  molprobity  1.000  
 14   14  ptt85    -133.4   149.8  Favored    13   86.500    11  0.54    14  1.58  molprobity  1.000  
 15   15  OUTLIER   -83.8   132.1  Favored     7   98.220     7  0.51    10  1.05  molprobity  1.000  
 16   16  t        -126.4   120.9  Favored     9  104.530     7  0.65    10  1.11  molprobity  1.000  
 17   17  t         -90.9   136.6  Favored     9  103.770     7  1.03    10  0.84  molprobity  1.000  
 18   18  mt       -132.7   150.9  Favored    11  100.250     8  0.31    11  1.28  molprobity  1.000  
 19   19  p30      -102.7   179.1  Favored     6  121.290     8  0.84    11  0.78  molprobity  1.000  
 20   20  p-10     -112.4    23.9  Favored     6  120.000     8  0.52    11  0.91  molprobity  1.000  
 21   21  ?         -88.2   -19.1  Favored     1  139.650     4  0.63     5  1.92  molprobity  1.000  
 22   22  m-20     -128.4   177.6  Favored     6  114.810     8  0.66    11  0.74  molprobity  1.000  
 23   23  p         -72.4   163.9  Favored     7  101.730     7  0.43    10  1.11  molprobity  1.000  
 24   24  m-85      -56.0   -40.0  Favored     9   89.320    13  0.55    18  0.70  molprobity  1.000  
 25   25  ttm-85    -63.9   -39.1  Favored    13   95.120    11  0.62    14  1.40  molprobity  1.000  
 26   26  t         -62.4   -40.7  Favored     5  123.570     6  0.47     8  0.38  molprobity  1.000  
 27   27  mt-30     -89.5   -30.2  Favored     8  105.480     9  0.64    12  0.77  molprobity  1.000  
 28   28  tp       -132.8   -56.1  Allowed    11   88.930     8  0.30    11  0.96  molprobity  1.000  
 29   29  ?         147.1  -163.6  Favored     3   98.980     4  0.41     5  0.82  molprobity  1.000  
 30   30  t         -72.4   116.2  Favored     5  100.760     6  0.76     8  0.32  molprobity  1.000  
 31   31  m        -132.3   143.7  Favored     9   75.880     7  0.52    10  1.04  molprobity  1.000  
 32   32  m-85     -111.9   135.4  Favored     9   73.980    12  0.59    16  0.41  molprobity  1.000  
 33   33  t80      -126.6   112.6  Favored     9   97.010    12  0.51    16  0.50  molprobity  1.000  
 34   34  m-20       52.2    47.0  Favored     6  100.570     8  0.61    11  1.03  molprobity  1.000  
 35   35  ?          86.4   -13.9  Favored     3   85.970     4  1.04     5  0.58  molprobity  1.000  
 36   36  ?         -99.1   135.3  Favored     5   76.320     5  0.63     7  0.50  molprobity  1.000  
 37   37  t0        -77.3   107.1  Favored     4   88.360     8  0.44    11  1.03  molprobity  1.000  
 38   38  pt       -110.2    21.8  Favored    11   80.200     8  0.72    11  0.34  molprobity  1.000  
 39   39  m         -53.1   -43.2  Favored     5   91.170     6  0.51     8  0.73  molprobity  1.000  
 40   40  m-20      -97.3    38.0  Allowed     4  100.320     8  0.34    11  1.07  molprobity  1.000  
 41   41  p        -119.9   165.1  Favored     7   92.490     7  0.86    10  1.10  molprobity  1.000  
 42   42  OUTLIER   -97.9   135.3  Favored    11  120.380     8  0.46    12  0.77  molprobity  1.000  
 43   43  Cg_exo    -59.4   134.4  Favored     7   98.280     8  0.43    11  0.52  molprobity  1.000  
 44   44  OUTLIER  -139.3   161.8  Favored     4  140.840     8  0.78    11  0.97  molprobity  1.000  
 45   45  tp10      -49.0   -24.1  Allowed     6  168.280     9  0.29    12  0.80  molprobity  1.000  
 46   46  ?         -59.6   -36.8  Favored     1  150.140     4  0.28     5  0.31  molprobity  1.000  
 47   47  mp0       -90.8     4.5  Favored     8  117.210     9  0.45    12  0.41  molprobity  1.000  
 48   48  t30       -63.4   127.0  Favored     6  104.110     8  0.49    11  0.90  molprobity  1.000  
 49   49  ?          85.5   -11.6  Favored     3  112.130     4  0.65     5  1.11  molprobity  1.000  
 50   50  m-70      -77.0   163.9  Favored     7  120.860    11  0.36    15  0.67  molprobity  1.000  
 51   51  m         -99.0   139.8  Favored     5   98.670     6  0.52     8  0.46  molprobity  1.000  
 52   52  mt       -123.9   144.7  Favored    11   74.660     8  0.39    11  1.82  molprobity  1.000  
 53   53  m-85      -98.6   113.4  Favored     9   91.650    13  0.95    18  0.86  molprobity  1.000  
 54   54  tp        -88.3   139.1  Favored    11   73.350     8  0.74    11  1.65  molprobity  1.000  
 55   55  ?        -113.0   -24.2  Favored     5   78.710     5  0.86     7  1.01  molprobity  1.000  
 56   56  p30      -141.8  -175.7  Favored     4   92.010     8  0.44    11  0.80  molprobity  1.000  
 57   57  m-20       52.2    44.9  Favored     6  102.020     8  0.41    11  0.55  molprobity  1.000  
 58   58  mt        -73.8   151.7  Favored    11  104.450     8  0.36    11  0.87  molprobity  1.000  
 59   59  m         -71.0   169.4  Favored     7   82.970     7  0.76    10  0.59  molprobity  1.000  
 60   60  ?         -70.2   -41.3  Favored     5   96.950     5  0.48     7  0.98  molprobity  1.000  
 61   61  m-20      -67.7   -44.2  Favored     4  134.700     8  0.16    11  0.45  molprobity  1.000  
 62   62  mt-10     -63.3   -37.3  Favored     6   88.250     9  0.66    12  0.58  molprobity  1.000  
 63   63  m         -61.9   -40.2  Favored     7   82.370     7  0.54    10  0.69  molprobity  1.000  
 64   64  ?         -61.2   -43.8  Favored     2   71.630     5  0.17     7  0.69  molprobity  1.000  
 65   65  ?         -66.5   -35.2  Favored     5   79.370     5  0.19     7  0.44  molprobity  1.000  
 66   66  tp        -63.0   -45.5  Favored    11   72.980     8  0.44    11  0.78  molprobity  1.000  
 67   67  tttt      -64.6   -41.6  Favored    13   88.280     9  0.60    11  0.44  molprobity  1.000  
 68   68  mt-10     -64.5   -46.7  Favored     6  109.960     9  1.08    12  0.82  molprobity  1.000  
 69   69  tp        -69.8   -40.4  Favored    11   62.080     8  0.81    11  0.55  molprobity  1.000  
 70   70  m-85     -117.7    -5.9  Favored     9   73.590    13  0.55    18  0.92  molprobity  1.000  
 71   71  ?          81.1  -175.0  Favored     3   95.880     4  0.55     6  0.91  molprobity  1.000  
 72   72  Cg_endo   -71.9   107.1  Favored     7  106.700     8  0.40    11  0.23  molprobity  1.000  
 73   73  m        -121.0   159.3  Favored     9   88.920     7  0.56    10  0.72  molprobity  1.000  
 74   74  p-10      -73.6   161.2  Favored     4  119.100     8  0.23    12  1.07  molprobity  1.000  
 75   75  Cg_exo    -58.9   -18.8  Favored     7  120.330     8  0.29    11  0.57  molprobity  1.000  
 76   76  p         -94.3    -2.7  Favored     7   89.280     7  0.51    10  0.90  molprobity  1.000  
 77   77  t80       -56.7   -51.8  Favored     9   80.020    12  0.37    16  0.44  molprobity  1.000  
 78   78  mt        -58.3   -45.3  Favored    11   65.760     8  0.46    11  1.14  molprobity  1.000  
 79   79  t60       -59.3   -47.2  Favored     7   81.560    11  0.24    15  0.35  molprobity  1.000  
 80   80  mtm105    -62.6   -43.6  Favored    13   69.280    11  0.59    14  0.59  molprobity  1.000  
 81   81  t80       -62.6   -52.0  Favored     9   58.310    12  0.67    16  0.44  molprobity  1.000  
 82   82  m-30      -61.9   -41.1  Favored     9   67.740    13  1.00    18  1.53  molprobity  1.000  
 83   83  p         -69.4   -43.0  Favored     5   74.420     6  0.75     8  1.01  molprobity  1.000  
 84   84  mt        -60.9   -39.2  Favored    11   65.640     8  0.38    11  1.55  molprobity  1.000  
 85   85  mtpp      -56.9   -45.5  Favored    13   66.250     9  0.86    11  0.79  molprobity  1.000  
 86   86  ?         -68.3   -37.4  Favored     5   96.580     5  0.70     7  0.50  molprobity  1.000  
 87   87  ?         -65.9   -37.2  Favored     5   73.900     5  0.62     7  0.76  molprobity  1.000  
 88   88  t         -95.2     9.8  Favored     9   78.840     7  0.89    10  1.11  molprobity  1.000  
 89   89  t-160     -67.7   -29.0  Favored     7  119.880    11  0.29    15  0.41  molprobity  1.000  
 90   90  ?         -84.5    -3.8  Favored     3   81.030     4  0.47     5  0.42  molprobity  1.000  
 91   91  m0        -67.4   152.9  Favored    10   74.940    16  0.66    23  0.41  molprobity  1.000  
 92   92  ?        -127.7   145.7  Favored     2   80.900     5  0.38     7  0.68  molprobity  1.000  
 93   93  mmt      -103.6   133.3  Favored     9   74.640     8  0.62    10  1.55  molprobity  1.000  
 94   94  m        -101.2   140.7  Favored     9   77.560     7  1.14    10  0.96  molprobity  1.000  
 95   95  t        -110.2   121.9  Favored     9   80.640     7  0.59    10  0.50  molprobity  1.000  
 96   96  m        -114.7   124.3  Favored     5  125.730     6  1.11     8  0.90  molprobity  1.000  
 97   97  m-20       38.6    55.3  Allowed     4   93.050     8  0.50    11  0.80  molprobity  1.000  
 98   98  ?          69.8   -11.7  Allowed     8   97.100     8  0.61    10  1.04  molprobity  1.000  
 99   99  t         -78.3   121.4  Favored     9   77.920     7  0.92    10  0.98  molprobity  1.000  
100  100  mtp-105   -93.1   132.8  Favored    13   86.290    11  0.50    14  1.13  molprobity  1.000  
101  101  t        -138.7   136.1  Favored     5   73.700     6  0.84     8  0.54  molprobity  1.000  
102  102  tp        -73.1   121.3  Favored    11   68.300     8  0.92    11  1.87  molprobity  1.000  
103  103  tttt      -68.2   135.5  Favored    13   81.520     9  0.95    11  1.21  molprobity  0.889  
104  104  tt        -58.6   127.0  Favored    11   81.480     8  0.47    11  0.99  molprobity  1.000  
105  105  t        -172.0   135.0  Allowed     5   89.430     6  0.39     8  0.46  molprobity  1.000  
106  106  m-20       53.5    47.0  Favored     4   89.860     8  0.83    11  0.77  molprobity  1.000  
107  107  m-20       57.6    37.5  Favored     6  111.350     8  0.54    11  0.78  molprobity  1.000  
108  108  p30       -97.0    16.1  Favored     6   86.400     8  0.61    11  0.86  molprobity  1.000  
109  109  p         -63.0   -29.4  Favored     5   81.010     6  0.40     8  0.51  molprobity  1.000  
110  110  p90       -63.6   -30.5  Favored     9   84.540    13  0.64    18  0.48  molprobity  1.000  
111  111  mt        -72.0   -39.0  Favored    11   70.720     8  0.51    11  0.62  molprobity  1.000  
112  112  t30       -57.0   -41.9  Favored     6   71.640     8  0.75    11  0.70  molprobity  1.000  
113  113  ?         -66.8   -43.5  Favored     5   69.810     5  0.81     7  0.51  molprobity  1.000  
114  114  t         -60.3   -53.5  Favored     9   67.570     7  0.96    10  0.72  molprobity  1.000  
115  115  mp        -63.3   -44.1  Favored    11   77.350     8  0.81    11  1.27  molprobity  1.000  
116  116  mtp       -64.8   -29.8  Favored     9   75.060     8  0.68    10  0.42  molprobity  1.000  
117  117  m         -73.1   -45.5  Favored     7   70.530     7  0.14    10  0.65  molprobity  1.000  
118  118  mt        -58.2   -35.0  Favored    11   60.990     8  0.37    11  0.77  molprobity  1.000  
119  119  m-20      -65.0   -15.3  Favored     4   91.430     8  0.64    11  0.97  molprobity  1.000  
120  120  mt        -98.4    -7.3  Favored    11   81.020     8  0.45    11  0.78  molprobity  1.000  
121  121  mt        -87.4   108.3  Favored    11   66.670     8  0.37    11  0.93  molprobity  1.000  
122  122  ?         -71.9   146.6  Favored     2   89.220     5  0.34     7  0.55  molprobity  1.000  
123  123  m-20       60.4    35.2  Favored     4   97.540     8  0.46    11  0.79  molprobity  1.000  
124  124  pt       -108.8   154.4  Favored    11   69.030     8  0.39    11  0.52  molprobity  1.000  
125  125  ?        -150.3   160.8  Favored     2   57.610     5  0.44     7  0.71  molprobity  1.000  
126  126  m-85     -106.7   145.0  Favored     9   55.350    12  1.03    16  1.07  molprobity  1.000  
127  127  t         -74.0   -42.5  Favored     9   83.630     7  0.78    10  0.62  molprobity  1.000  
128  128  mt        -66.3   117.0  Favored    11   63.630     8  0.72    12  0.82  molprobity  1.000  
129  129  Cg_exo    -49.3   -48.0  Favored     7   56.100     8  0.66    11  0.83  molprobity  1.000  
130  130  ?         -61.3   -40.1  Favored     5   58.500     5  0.86     7  0.88  molprobity  1.000  
131  131  tp        -71.8   -40.5  Favored    11   53.830     8  0.67    11  0.66  molprobity  1.000  
132  132  tp60      -65.2   -43.1  Favored     8   55.630     9  0.57    12  1.01  molprobity  1.000  
133  133  t-160     -63.8   -43.6  Favored     7   65.050    11  0.74    15  0.48  molprobity  1.000  
134  134  ?         -61.5   -34.5  Favored     5   54.310     5  1.01     7  1.76  molprobity  1.000  
135  135  t80       -67.9   -45.6  Favored     9   60.690    12  0.90    16  0.52  molprobity  1.000  
136  136  mmm       -63.7   -38.2  Favored     9   72.810     8  0.82    10  1.21  molprobity  1.000  
137  137  mtpt      -65.9   -38.7  Favored    13   71.890     9  0.75    11  0.84  molprobity  1.000  
138  138  t60       -59.1   -44.2  Favored     7   68.320    11  0.41    15  0.58  molprobity  1.000  
139  139  ?         -71.1   -14.2  Favored     6   64.890     7  0.59     9  1.43  molprobity  1.000  
140  140  ?         -87.6   -15.2  Favored     3   99.300     4  0.87     5  0.86  molprobity  1.000  
141  141  ?         122.4    -5.2  Favored     3   84.960     4  0.39     5  0.54  molprobity  1.000  
142  142  t0       -116.5   104.2  Favored     4   84.730     8  0.74    11  0.79  molprobity  1.000  
143  143  m        -105.6     1.1  Favored     5   58.580     6  0.80     8  1.08  molprobity  1.000  
144  144  m         -60.4   -51.9  Favored     7   65.120     7  0.73    10  0.82  molprobity  1.000  
145  145  m-20      -58.9   -46.1  Favored     4   73.900     8  0.64    11  0.92  molprobity  1.000  
146  146  t80       -65.3   -46.1  Favored     9   66.310    12  0.53    16  0.29  molprobity  1.000  
147  147  mt        -57.2   -50.6  Favored    11   58.180     8  0.82    11  0.87  molprobity  1.000  
148  148  ?         -63.6   -40.5  Favored     5   68.550     5  0.51     7  0.90  molprobity  1.000  
149  149  mt        -64.2   -42.9  Favored    11   57.430     8  0.54    11  0.58  molprobity  1.000  
150  150  mt        -67.9   -32.5  Favored    11   65.310     8  0.46    11  1.15  molprobity  1.000  
151  151  mtm       -68.6   -40.5  Favored     9   67.420     8  0.50    10  0.73  molprobity  1.000  
152  152  ?         -64.1   -47.8  Favored     5   60.790     5  0.54     7  0.59  molprobity  1.000  
153  153  m-85      -63.5   -32.4  Favored     9   62.530    13  1.08    18  1.07  molprobity  1.000  
154  154  ?         -88.8     0.0  Favored     3   71.430     4  0.51     5  0.46  molprobity  1.000  
155  155  m120       57.7    33.8  Favored     6   96.330     8  0.43    11  0.51  molprobity  1.000  
156  156  m         -77.5   156.9  Favored     5   77.390     6  0.90     8  0.96  molprobity  1.000  
157  157  p        -119.2   134.8  Favored     7   89.300     7  0.67    10  1.00  molprobity  1.000  
158  158  t80       -57.0   129.6  Favored     9   93.940    12  0.40    16  0.51  molprobity  1.000  
159  159  ?          90.7   -19.4  Favored     3  105.390     4  0.29     5  0.52  molprobity  1.000  
160  160  ?         -93.1   136.0  Favored     5  104.120     5  0.42     8  0.51  molprobity  1.000  
161  161  Cg_endo   -70.3   148.1  Favored     7  109.590     8  0.53    11  0.45  molprobity  1.000  
162  162  t0       -151.7   164.7  Favored     4   89.800     8  0.61    11  0.90  molprobity  1.000  
163  163  t0        -83.2   124.9  Favored     4  100.010     8  0.28    11  0.72  molprobity  1.000  
164  164  ?         -71.0   -51.5  Favored     5   77.120     5  0.24     7  0.79  molprobity  1.000  
165  165  m         -56.0   -42.0  Favored     5  109.230     6  0.31     8  0.57  molprobity  1.000  
166  166  ttt180    -63.5   -45.1  Favored    13  116.680    11  0.68    14  0.69  molprobity  1.000  
167  167  tp        -67.0   -40.6  Favored    11   87.260     8  0.33    11  0.41  molprobity  1.000  
168  168  tp        -54.3   -46.5  Favored    11   75.270     8  0.36    11  0.60  molprobity  1.000  
169  169  m-70      -75.7   -27.9  Favored     7   82.840    11  0.33    15  0.79  molprobity  1.000  
170  170  p         -65.5   -42.1  Favored     7   78.070     7  0.50    10  1.05  molprobity  1.000  
171  171  t         -61.7   -43.5  Favored     9   59.950     7  0.72    10  0.63  molprobity  1.000  
172  172  mt        -69.7   -22.8  Favored    11   60.680     8  0.35    11  1.62  molprobity  1.000  
173  173  ?         -67.2   -14.0  Favored     5   66.210     5  0.36     7  0.50  molprobity  1.000  
174  174  ?        -101.4     4.2  Favored     8   62.930     8  0.59    10  0.68  molprobity  1.000  
175  175  ?        -108.8   172.0  Favored     5   64.550     5  0.71     7  0.69  molprobity  1.000  
176  176  tt0      -140.5   161.6  Favored     6   71.490     8  0.86    10  1.30  molprobity  0.875  
177  177  tp       -101.0   135.1  Favored    11   78.840     8  0.29    11  0.75  molprobity  1.000  
178  178  m         -88.5     2.6  Favored     5   89.410     6  1.00     8  0.57  molprobity  1.000  
179  179  p        -133.0  -171.3  Favored     5   91.290     6  0.42     8  0.70  molprobity  1.000  
180  180  m         -98.7   125.0  Favored     5  108.830     6  0.75     8  0.73  molprobity  1.000  
181  181  ?        -134.3   147.5  Favored     5   89.140     5  0.79     7  1.24  molprobity  1.000  
182  182  ttt180   -151.9   131.9  Favored     9   87.480     9  0.28    11  0.56  molprobity  0.889  
183  183  OUTLIER  -136.2   135.3  Favored     9  100.860     8  0.46    10  1.63  molprobity  1.000  
184  184  t        -126.3   124.3  Favored     9  100.710     7  0.47    10  1.21  molprobity  1.000  
185  185  m95       -99.2   134.9  Favored    10  124.260    16  0.45    23  0.42  molprobity  1.000  
186  186  ttm180   -111.3   118.0  Favored    13  123.130    11  0.65    14  0.79  molprobity  1.000  
187  187  mt-10    -110.1   141.6  Favored     6  128.380     9  0.43    12  0.75  molprobity  0.889  
188  188  p90      -145.5   147.7  Favored    10  128.550    16  0.42    23  0.85  molprobity  1.000  
189  189  t        -147.3   139.7  Favored     5  155.860     6  0.30     8  0.50  molprobity  1.000  
190  190  m-20      -62.4   -23.7  Favored     6  164.360     8  0.37    11  0.55  molprobity  1.000  
191  191  m         -98.5   -52.4  Favored     9  155.640     7  0.41    10  0.83  molprobity  1.000  
192  192  m         -67.3   -44.1  Favored     4  204.610     6  0.27     8  0.48  molprobity  1.000  
193  193  ?         113.1  -167.5  Favored     3  131.370     4  0.40     5  0.97  molprobity  1.000  
194  194  mt        -95.9   140.4  Favored    11  123.330     8  0.53    11  0.72  molprobity  1.000  
195  195  ?        -133.2   124.7  Favored     4  109.650     6  0.39     8  0.72  molprobity  1.000  
196  196  m-20      -98.4   129.4  Favored     4  109.960     8  0.77    11  1.24  molprobity  1.000  
197  197  t        -114.9   113.9  Favored     9   99.410     7  0.72    10  0.92  molprobity  1.000  
198  198  t        -104.5   134.8  Favored     9   93.250     7  0.51    10  0.93  molprobity  1.000  
199  199  mt       -119.7   141.6  Favored    11   88.870     8  0.31    11  0.52  molprobity  1.000  
200  200  ?        -131.0   159.6  Favored     1   85.510     4  0.21     5  0.67  molprobity  1.000  
201  201  ?          69.8  -142.4  Favored     3   73.580     4  0.45     5  1.04  molprobity  1.000  
202  202  tp        -60.4   -35.2  Favored    11   75.890     8  0.34    11  1.19  molprobity  1.000  
203  203  ?         -55.4   -27.8  Favored     4   72.710     6  0.58     8  0.57  molprobity  1.000  
204  204  ?         -83.5    -2.3  Favored     5   81.160     5  0.34     7  0.71  molprobity  1.000  
205  205  m        -113.6    -0.3  Favored     5   81.540     6  0.41     8  0.66  molprobity  1.000  
206  206  m        -133.3   142.1  Favored     5   85.470     6  1.35     8  0.93  molprobity  1.000  
207  207  t80      -152.5   128.9  Favored     9   95.090    13  0.49    18  0.36  molprobity  1.000  
208  208  t        -102.9   116.8  Favored     9  102.130     7  0.62    10  0.72  molprobity  1.000  
209  209  ?         138.9   -13.5  Favored     3  122.540     4  0.51     5  0.54  molprobity  1.000  
210  210  t        -135.7   146.5  Favored     9   99.260     7  0.92    10  0.80  molprobity  1.000  
211  211  mt-30    -125.8     2.5  Favored     8  102.450     9  0.44    12  0.89  molprobity  1.000  
212  212  p        -129.8   147.9  Favored     7  112.420     7  0.32    10  0.68  molprobity  1.000  
213  213  t         -62.0   -36.9  Favored     9  119.490     7  0.55    10  0.71  molprobity  1.000  
214  214  mp0       -63.6   -40.9  Favored     6  147.330     9  0.77    12  0.74  molprobity  1.000  
215  215  m-20      -67.6   -25.8  Favored     4  110.560     8  0.45    11  0.66  molprobity  1.000  
216  216  tp        -71.7   -32.3  Favored    11  107.840     8  0.51    11  0.78  molprobity  1.000  
217  217  mtt180    -89.4   -27.4  Favored    13  111.610    11  0.52    14  0.66  molprobity  1.000  
218  218  ?         -61.2   144.1  Favored     5  114.740     5  0.42     7  0.90  molprobity  1.000  
219  219  ?         -70.5   126.6  Favored     1  131.790     4  0.28     5  0.64  molprobity  1.000  
220  220  ?        -108.3   111.0  Favored     1  157.530     4  0.79     5  1.29  molprobity  1.000  
221  221  m         -86.6   126.4  Favored     7  152.820     7  0.85    10  1.32  molprobity  1.000  
222  222  ?        -145.6  -167.9  Favored     1  190.140     4  0.47     5  0.62  molprobity  1.000  
223  223  ?        -105.3   131.6  Favored     1  226.310     4  0.37     5  0.26  molprobity  1.000  
224  224  t         -76.7   170.0  Favored     4  193.800     6  0.80     8  0.61  molprobity  1.000  
225  225  ?         -60.4   -39.2  Favored     6  154.460     7  0.28     9  0.27  molprobity  1.000  
226  226  p         -66.8   -13.7  Favored     4  171.980     6  0.47     8  1.05  molprobity  1.000  
227  227  ?         101.7    44.3  Allowed     3  159.510     4  0.43     5  0.55  molprobity  1.000  
228  228  ?        -154.5   177.8  Favored     3  157.300     4  0.50     5  0.67  molprobity  1.000  
229  229  mt-10     -76.1   123.1  Favored     6  156.340     9  0.67    12  1.32  molprobity  0.889  
230  230  ?         -98.5   129.7  Favored     1  145.720     4  0.40     5  0.96  molprobity  1.000  
231  231  m-70     -100.8   158.6  Favored     7  154.320    11  0.56    15  0.64  molprobity  1.000  
232  232  ?        -147.2   137.2  Favored     1  127.070     4  0.75     5  0.17  molprobity  1.000  
233  233  tt0      -153.7   145.8  Favored     8  125.440     9  0.38    12  0.56  molprobity  0.889  
234  234  tp        -75.6   124.8  Favored    11  112.440     8  0.35    11  0.60  molprobity  1.000  
235  235  t        -115.2    -8.3  Favored     9  115.170     7  0.44    10  1.18  molprobity  1.000  
236  236  ?        -155.8   154.2  Favored     2   98.910     5  0.32     7  0.79  molprobity  1.000  
237  237  t-160    -167.2   112.6  Allowed     7  106.930    11  0.25    15  0.55  molprobity  1.000  
238  238  m        -130.0   102.9  Favored     7  122.440     7  0.25    10  0.75  molprobity  1.000  
239  239  p        -136.3   156.6  Favored     7   91.410     7  0.23    11  0.78  molprobity  1.000  
240  240  Cg_endo   -76.0   -25.9  Favored     7   84.220     8  0.58    11  0.55  molprobity  1.000  
241  241  p-90     -164.2   168.8  Favored    10   86.140    16  0.35    23  0.46  molprobity  1.000  
242  242  tp       -138.9   120.8  Favored    11   85.490     8  0.27    11  0.92  molprobity  1.000  
243  243  tp       -106.4   112.7  Favored    11   92.920     8  0.29    11  0.64  molprobity  1.000  
244  244  mt       -108.9   130.1  Favored    11   82.740     8  0.37    11  0.49  molprobity  1.000  
245  245  m        -132.1   144.3  Favored     5  104.450     6  0.46     8  0.32  molprobity  1.000  
246  246  ?        -156.7  -179.0  Favored     3  109.910     4  0.49     5  1.20  molprobity  1.000  
247  247  p         -61.6   153.0  Favored     7  105.950     7  0.45    11  1.02  molprobity  1.000  
248  248  Cg_exo    -56.0   107.2  Allowed     7  115.050     8  0.82    11  0.87  molprobity  1.000  
249  249  p30      -123.8   137.8  Favored     6  138.190     8  0.36    11  1.00  molprobity  1.000  
250  250  ?         -77.2   137.8  Favored     4  137.600     6  0.34     8  0.61  molprobity  1.000  
251  251  ?        -159.7   175.1  Favored     4  117.580     6  0.40     8  0.90  molprobity  1.000  
252  252  tt       -114.2   115.9  Favored    11  125.520     8  0.38    11  1.36  molprobity  1.000  
253  253  ?         -92.1   119.9  Favored     1  124.860     4  0.34     5  1.16  molprobity  1.000  
254  254  t        -126.6   145.7  Favored     7  152.110     7  0.40    10  0.72  molprobity  1.000  
255  255  p        -101.5    -2.3  Favored     7  138.850     7  0.39    10  0.93  molprobity  1.000  
256  256  ?         -79.2   -39.3  Favored     1  178.430     4  0.32     5  1.02  molprobity  1.000  
257  257  ?         -63.7   -15.9  Favored     2  160.880     5  0.51     7  0.69  molprobity  1.000  
258  258  ?          58.5    76.1  Allowed     5  161.010     5  0.53     8  1.14  molprobity  1.000  
259  259  Cg_endo   -65.2   166.4  Favored     7  137.920     8  0.53    11  0.67  molprobity  1.000  
260  260  m-20      -95.0   -36.1  Favored     4  176.580     8  0.54    11  0.76  molprobity  1.000  
261  261  p90       -71.6   155.2  Favored     9  134.270    12  0.66    16  1.12  molprobity  1.000  
262  262  t         -97.6   -30.9  Favored     9  109.260     7  0.94    10  0.82  molprobity  1.000  
263  263  ?        -160.4   164.5  Favored     5   86.360     5  0.52     7  0.58  molprobity  1.000  
264  264  p90      -160.2   158.4  Favored     9   88.950    12  0.64    16  0.51  molprobity  1.000  
265  265  m-20     -111.0   151.2  Favored     6   90.950     8  0.33    11  0.30  molprobity  1.000  
266  266  t        -131.5   136.2  Favored     9   95.040     7  0.28    10  0.67  molprobity  1.000  
267  267  t80      -103.5   119.2  Favored     9  129.880    12  0.30    16  0.64  molprobity  1.000  
268  268  mt-30    -106.2   117.5  Favored     8  111.990     9  0.52    12  0.73  molprobity  1.000  
269  269  ?         133.8  -162.3  Favored     3  136.540     4  0.30     5  1.04  molprobity  1.000  
270  270  pt       -104.9   169.2  Favored    11  181.400     8  0.49    11  0.75  molprobity  1.000  
271  271  mt-10     -99.6   -16.4  Favored     6  136.610     9  0.66    12  0.57  molprobity  1.000  
272  272  p         -92.8    -3.9  Favored     7  124.190     7  0.43    10  0.99  molprobity  1.000  
273  273  ?        -122.4  -163.0  Allowed     5  160.040     5  0.27     7  0.30  molprobity  1.000  
274  274  OUTLIER  -100.2   127.3  Favored     9  142.200     7  0.31    10  0.66  molprobity  1.000  
275  275  ?        -109.1  -147.3  Favored     3  128.750     4  0.58     5  1.18  molprobity  1.000  
276  276  t60      -155.3   131.8  Favored     7  106.810    11  0.52    15  0.80  molprobity  1.000  
277  277  m-85      -95.6   146.2  Favored     9   92.410    13  0.63    18  1.02  molprobity  1.000  
278  278  t        -133.6   135.3  Favored     9   89.320     7  0.77    10  0.94  molprobity  1.000  
279  279  t60       -98.7   139.3  Favored     7   86.410    11  0.26    15  0.43  molprobity  1.000  
280  280  ?        -140.7   145.4  Favored     5   87.720     5  0.96     7  0.60  molprobity  1.000  
281  281  mtt180   -131.4   159.1  Favored    13   93.500    11  0.71    14  1.31  molprobity  1.000  
282  282  mt       -109.4   115.2  Favored    11  139.230     8  0.48    11  1.38  molprobity  1.000  
283  283  ?        -146.3   127.2  Favored     1  159.880     4  0.90     5  1.82  molprobity  1.000  
284  284  ?          97.8    22.5  Favored     3  144.460     4  0.58     5  0.95  molprobity  1.000  
285  285  ?          52.9    25.1  Favored     3  156.410     4  0.33     5  0.61  molprobity  1.000  
286  286  ?        -146.0   146.9  Favored     2  134.290     5  0.44     7  1.34  molprobity  1.000  
287  287  ?         -97.0   109.4  Favored     2  133.640     5  0.46     7  0.49  molprobity  1.000  
288  288  mt        -81.3   116.8  Favored    11  120.750     8  0.50    11  0.66  molprobity  1.000  
289  289  ?        -100.0   126.8  Favored     1  102.340     4  0.19     5  0.50  molprobity  1.000  
290  290  m-85     -112.2    86.6  Favored     9  102.150    12  0.54    16  0.75  molprobity  1.000  
291  291  t70       -90.1    71.1  Favored     4   91.590     8  0.94    11  0.70  molprobity  1.000  
292  292  m          57.0    51.7  Favored     5   80.470     6  0.59     8  1.17  molprobity  1.000  
293  293  ?         101.8   -26.6  Favored     3   89.650     4  0.48     5  1.16  molprobity  1.000  
294  294  m         -87.8   122.6  Favored     7  126.200     7  0.46    10  0.79  molprobity  1.000  
295  295  t        -110.6   135.2  Favored     9  121.100     7  1.13    10  0.79  molprobity  1.000  
296  296  t        -149.1   161.8  Favored     5  129.250     6  0.35     8  0.74  molprobity  1.000  
297  297  ?        -129.9   142.1  Favored     2  147.410     5  0.31     7  0.37  molprobity  1.000  
298  298  p        -134.3   154.0  Favored     7  154.990     7  0.38    10  1.02  molprobity  1.000  
299  299  p         -70.9   -36.4  Favored     5  128.030     6  0.51     8  1.00  molprobity  1.000  
300  300  OUTLIER  -154.3   165.3  Favored     4  153.760     8  0.43    11  1.01  molprobity  1.000  
301  301  t90      -161.1   124.2  Favored     7  120.530    13  1.55    18  0.88  molprobity  1.000  
302  302  ?         -87.1   116.2  Favored     1  176.790     4  0.33     5  1.57  molprobity  1.000  
303  303  p        -157.2   160.5  Favored     5  136.340     6  0.58     8  0.75  molprobity  1.000  
304  304  ?        -103.3    96.0  Favored     4  105.420     6  0.33     8  0.73  molprobity  1.000  
305  305  t         -70.7   141.0  Favored     9  100.990     7  0.80    10  0.82  molprobity  1.000  
306  306  p        -116.2   -75.9  Allowed     7   99.090     7  0.67    10  1.05  molprobity  1.000  
307  307  m-20      -91.5   139.6  Favored     4   90.310     8  0.35    11  0.84  molprobity  1.000  
308  308  t        -131.7   135.3  Favored     9   83.930     7  0.58    10  0.65  molprobity  1.000  
309  309  tp       -115.6   118.9  Favored    11   77.760     8  0.30    11  1.10  molprobity  1.000  
310  310  m-85     -105.5   155.8  Favored     9   95.530    12  0.72    17  0.42  molprobity  1.000  
311  311  Cg_endo   -74.0  -176.6  Favored     7   86.530     8  0.81    11  0.44  molprobity  1.000  
312  312  ?         -55.9   138.3  Favored     3  102.370     4  0.18     5  0.62  molprobity  1.000  
313  313  mm-40    -103.8   138.0  Favored     8  106.260     9  0.42    12  0.54  molprobity  1.000  
314  314  ?        -138.9    86.6  Favored     6  100.700     7  0.52     9  0.74  molprobity  1.000  
315  315  t80      -131.2   140.7  Favored     9  115.740    13  0.61    18  0.85  molprobity  1.000  
316  316  m        -143.7   141.5  Favored     5  139.040     6  0.71     8  1.01  molprobity  1.000  
317  317  t             ?       ?  ?           5  128.190     5  0.61     5  0.69  molprobity  1.000  
318  318  ?             ?       ?  ?           1  161.630     5  0.24     7  0.42  molprobity  1.000  
319  319  ?         -98.0   136.1  Favored     1  169.930     4  0.24     5  0.19  molprobity  1.000  
320  320  t        -126.3   123.9  Favored     9  154.850     7  0.35    10  0.75  molprobity  1.000  
321  321  ?        -106.7   134.1  Favored     1  173.980     4  0.38     5  0.10  molprobity  1.000  
322  322  m         -72.4   150.4  Favored     7  175.930     7  0.45    10  0.89  molprobity  1.000  
323  323  ?         -58.9   134.4  Favored     1  190.960     4  0.21     5  1.73  molprobity  1.000  
324  324  p          32.3    65.2  Allowed     7  227.130     7  0.42    10  0.65  molprobity  1.000  
325  325  ?        -166.8   169.8  Favored     3  201.650     4  0.21     5  0.76  molprobity  1.000  
326  326  ?         -45.2   129.6  Favored     1  207.070     4  0.28     5  0.76  molprobity  1.000  
327  327  m        -119.5   115.3  Favored     7  171.920     7  0.45    10  0.82  molprobity  1.000  
328  328  ?        -107.4   157.6  Favored     1  175.630     4  0.27     5  0.85  molprobity  1.000  
329  329  ?        -125.6   129.5  Favored     1  214.300     4  0.55     5  0.96  molprobity  1.000  
330  330  mp       -127.7   135.7  Favored    11  178.350     8  0.53    11  2.05  molprobity  1.000  
331  331  tp10     -119.3   133.7  Favored     6  190.480     9  0.49    12  0.80  molprobity  1.000  
332  332  ?        -144.4   140.2  Favored     1  162.840     4  0.22     5  1.24  molprobity  1.000  
333  333  mm-40     -70.2   134.8  Favored     6  194.250     9  0.52    13  0.82  molprobity  1.000  
334  334  Cg_endo   -79.9    96.1  Allowed     7  165.120     8  0.77    11  1.32  molprobity  1.000  
335  335  ?        -141.4   -30.3  Allowed     1  165.310     4  0.53     5  3.82  molprobity  1.000  
336  336  m-20      -55.4   141.6  Favored     4  191.410     8  0.31    11  1.18  molprobity  1.000  
337  337  p         -93.6   146.9  Favored     7  173.600     7  0.43    10  0.91  molprobity  1.000  
338  338  mm        -50.9   -28.3  Favored    11  133.800     8  0.45    11  0.58  molprobity  1.000  
339  339  ?         -61.1   -37.4  Favored     4  131.190     6  0.16     8  0.77  molprobity  1.000  
340  340  m-20      -78.6   -30.8  Favored     6  178.870     8  0.19    11  0.71  molprobity  1.000  
341  341  m         -69.2   -41.3  Favored     9  119.740     7  0.27    10  0.65  molprobity  1.000  
342  342  ?         -67.8   -29.6  Favored     2  171.910     5  0.29     7  0.39  molprobity  1.000  
343  343  ?         -73.9   -32.5  Favored     5  185.950     5  0.34     7  0.62  molprobity  1.000  
344  344  ?         -85.1   -19.8  Favored     1  188.800     4  0.47     5  1.18  molprobity  1.000  
345  345  ?         -70.8   -37.1  Favored     1  143.540     4  0.43     5  0.60  molprobity  1.000  
346  346  ?         -68.8   -19.5  Favored     1  194.970     4  0.24     5  0.38  molprobity  1.000  
347  347  ?         -93.4    -2.4  Favored     1  167.230     4  0.31     5  0.58  molprobity  1.000  
348  348  ?        -120.8   -27.3  Favored     1  166.040     4  0.36     5  0.88  molprobity  1.000  
349  349  ?        -128.9   158.8  Favored     2  150.630     5  0.40     7  1.27  molprobity  1.000  
350  350  ?         -59.6   -37.5  Favored     3  162.360     4  0.70     5  0.54  molprobity  1.000  
351  351  mt        -61.0   142.2  Favored    11  166.650     8  0.51    12  1.14  molprobity  1.000  
352  352  Cg_endo   -76.9   139.7  Favored     7  166.350     8  0.27    12  0.78  molprobity  1.000  
353  353  Cg_endo   -54.8   -24.1  Favored     7  148.870     8  0.25    11  0.50  molprobity  1.000  
354  354  OUTLIER   -62.8   -40.2  Favored     4  161.250     8  0.58    11  0.40  molprobity  1.000  
355  355  tt0       -94.8    -4.4  Favored     8  171.040     9  0.24    12  0.54  molprobity  1.000  
356  356  OUTLIER  -100.2   128.4  Favored     8  124.320     9  0.57    12  0.49  molprobity  0.889  
357  357  ptt85    -120.5   115.7  Favored    13  110.440    11  0.36    14  1.53  molprobity  1.000  
358  358  mt        -90.8   131.7  Favored    11  136.870     8  0.24    11  0.82  molprobity  1.000  
359  359  mm       -119.0   123.3  Favored    11  130.180     8  0.71    11  1.24  molprobity  1.000  
360  360  t80      -130.3   126.1  Favored     9  131.800    12  0.58    16  0.69  molprobity  1.000  
361  361  ?          52.5    37.4  Favored     5  120.070     5  0.32     7  0.34  molprobity  1.000  
362  362  ?          81.5    12.1  Favored     3   95.320     4  0.53     5  1.11  molprobity  1.000  
363  363  ?        -125.9   132.3  Favored     4   98.820     6  0.54     8  0.90  molprobity  1.000  
364  364  tt0       -73.4   132.0  Favored     8  125.860     9  0.36    12  0.55  molprobity  1.000  
365  365  OUTLIER   -84.0   129.8  Favored    11  117.840     8  0.30    11  1.17  molprobity  1.000  
366  366  mm-40     -97.8   151.3  Favored     6  121.740     9  0.68    12  0.51  molprobity  1.000  
367  367  m-20      -61.0   -37.1  Favored     4  167.650     8  0.23    11  0.40  molprobity  1.000  
368  368  ?         -61.0   -39.0  Favored     3  127.210     4  0.52     5  0.60  molprobity  1.000  
369  369  ?         -82.7   165.0  Favored     1  123.920     4  0.33     5  0.70  molprobity  1.000  
370  370  t        -116.6   136.6  Favored     7  154.550     7  0.55    10  0.75  molprobity  1.000  
371  371  mt        -42.8   -34.4  Allowed    11  142.030     8  0.31    11  0.98  molprobity  1.000  
372  372  ?         -63.4   -37.0  Favored     1  185.850     4  0.22     5  1.08  molprobity  1.000  
373  373  OUTLIER   -60.9   -37.5  Favored     4  157.920     8  0.39    11  0.43  molprobity  1.000  
374  374  m-85      -87.2     6.6  Favored     9  148.720    13  0.37    18  0.61  molprobity  1.000  
375  375  ?          67.7    17.1  Favored     1  138.930     4  0.34     5  0.34  molprobity  1.000  
376  376  mt        -74.5   123.8  Favored    11  127.040     8  0.28    11  0.54  molprobity  1.000  
377  377  ?         -99.2   160.0  Favored     2  134.180     5  0.28     7  0.22  molprobity  1.000  
378  378  ?         -61.2   141.8  Favored     1  170.690     4  0.17     5  0.56  molprobity  1.000  
379  379  ?          83.4     4.1  Allowed     1  186.190     4  0.13     5  0.29  molprobity  1.000  
380  380  OUTLIER   -79.7   158.4  Favored     5  174.170     6  0.30     8  0.73  molprobity  1.000  
381  381  ?        -109.9   119.0  Favored     1  158.830     4  0.44     5  1.02  molprobity  1.000  
382  382  OUTLIER  -102.5   155.7  Favored    11  139.160     8  0.54    11  1.14  molprobity  1.000  
383  383  m80      -120.2   124.1  Favored     7  174.110    11  0.21    15  0.51  molprobity  1.000  
384  384  tp        -96.2   121.9  Favored    11  134.370     8  0.72    11  2.36  molprobity  1.000  
385  385  t        -120.2   138.3  Favored     9  124.730     7  0.64    10  0.70  molprobity  1.000  
386  386  OUTLIER   -83.6   139.6  Favored    11  131.830     8  0.62    11  1.19  molprobity  1.000  
387  387  ttt180    -63.1   130.1  Favored    13  148.620    11  0.54    14  0.57  molprobity  1.000  
388  388  mt        -83.0   158.8  Favored    11  115.920     8  0.24    11  0.76  molprobity  1.000  
389  389  mtm180   -118.6   117.1  Favored    13  134.620    11  0.70    14  1.02  molprobity  1.000  
390  390  ?        -117.0   130.5  Favored     3  141.490     4  0.53     5  0.93  molprobity  1.000  
391  391  ?             ?       ?  ?           3  120.080     4  0.42     2  0.97  molprobity  1.000  
392  392  ?             ?       ?  ?           8   61.920     3  0.54     3  0.59  mogul       0.500  
393  393  ?             ?       ?  ?           8   92.580     3  0.55     3  0.31  mogul       1.000  
394  394  ?             ?       ?  ?           ?  172.250     ?     ?     ?     ?  ?           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    4  HG21   1  0.63  1.80  
  2    4  CG2    2  0.58  2.34  
  3   33  HB3    3  0.50  1.94  
  4   33  HB2    4  0.46  1.96  
  5   38  HD13   3  0.50  1.94  
  6   38  HD12   5  0.40  1.86  
  7   42  O      6  0.51  2.10  
  8   42  HG13   6  0.51  2.10  
  9   42  HA     7  0.42  1.86  
 10   43  HD3    7  0.42  1.86  
 11   47  HE21   5  0.40  1.86  
 12   52  HG     1  0.63  1.80  
 13   52  HG     2  0.58  2.34  
 14   52  HD22   4  0.46  1.96  
 15   58  HD23   8  0.42  1.67  
 16   58  HA     8  0.42  1.67  
 17   59  HG22   9  0.72  1.53  
 18   59  HG22  10  0.63  2.11  
 19   59  CG2   11  0.43  2.81  
 20   60  N     11  0.43  2.81  
 21   61  H      9  0.72  1.53  
 22   61  N     10  0.63  2.11  
 23   66  HD12  12  0.42  2.55  
 24   69  HD12  13  0.48  1.94  
 25   69  HG    14  0.40  2.03  
 26   70  CD2   12  0.42  2.55  
 27   78  HD22  15  0.48  2.48  
 28   81  CE1   16  0.56  2.41  
 29   82  CZ    15  0.48  2.48  
 30   88  HG22  17  0.63  2.33  
 31   88  HG22  18  0.59  2.37  
 32   88  HG22  19  0.42  2.55  
 33   88  HG21  20  0.58  1.85  
 34   88  O     21  0.48  2.13  
 35   88  O     22  0.45  2.64  
 36   88  HG13  21  0.48  2.13  
 37   88  CG1   22  0.45  2.64  
 38   91  CD2   17  0.63  2.33  
 39   91  CE3   18  0.59  2.37  
 40   91  CE2   19  0.42  2.55  
 41   95  HG22  23  0.45  1.97  
 42  100  HG2   23  0.45  1.97  
 43  104  HB2   24  0.59  1.84  
 44  104  HB2   25  0.49  2.42  
 45  104  HD12  26  0.55  1.71  
 46  106  HB3   27  0.57  1.87  
 47  107  HA    28  0.42  2.19  
 48  129  HB2   13  0.48  1.94  
 49  130  HB2   14  0.40  2.03  
 50  146  CE2   29  0.69  2.26  
 51  146  CZ    30  0.50  2.47  
 52  147  HD12  31  0.57  1.86  
 53  149  HG    16  0.56  2.41  
 54  149  HD22  32  0.51  2.44  
 55  150  HD11  29  0.69  2.26  
 56  150  HD11  30  0.50  2.47  
 57  150  HD13  33  0.43  1.83  
 58  150  HG21  33  0.43  1.83  
 59  151  HE1   20  0.58  1.85  
 60  153  CE2   32  0.51  2.44  
 61  159  HA2   27  0.57  1.87  
 62  161  HG2   34  0.77  1.66  
 63  166  HH21  35  0.40  1.74  
 64  166  HD3   35  0.40  1.74  
 65  170  HG22  36  0.64  1.97  
 66  172  HA    37  0.45  1.58  
 67  172  HD23  37  0.45  1.58  
 68  181  HA    38  0.55  2.06  
 69  183  HE3   39  0.82  1.41  
 70  183  HE3   40  0.53  1.90  
 71  183  CE    41  0.68  2.07  
 72  183  HB2   42  0.45  2.52  
 73  184  O     43  0.42  2.20  
 74  185  HE1   39  0.82  1.41  
 75  185  HE1   41  0.68  2.07  
 76  189  SG    44  0.51  2.51  
 77  189  SG    45  0.42  3.08  
 78  191  HG22  44  0.51  2.51  
 79  191  HG23  46  0.50  1.76  
 80  191  HG23  47  0.42  2.34  
 81  191  CG2   45  0.42  3.08  
 82  192  H     46  0.50  1.76  
 83  192  N     47  0.42  2.34  
 84  199  HD12  40  0.53  1.90  
 85  202  HD12  48  0.41  1.83  
 86  202  HA    48  0.41  1.83  
 87  206  HA    49  0.42  2.18  
 88  210  HG13  50  0.49  1.94  
 89  215  HB2   50  0.49  1.94  
 90  222  O     51  0.48  2.14  
 91  224  N     52  0.51  2.34  
 92  224  SG    53  0.44  2.91  
 93  225  N     53  0.44  2.91  
 94  228  O     52  0.51  2.34  
 95  229  HA    51  0.48  2.14  
 96  234  HD12  43  0.42  2.20  
 97  235  HG12  54  0.52  2.09  
 98  235  O     54  0.52  2.09  
 99  237  CD2   42  0.45  2.52  
100  238  O     38  0.55  2.06  
101  238  HA    55  0.50  2.12  
102  243  O     49  0.42  2.18  
103  253  O     56  0.56  2.05  
104  261  CE1   57  0.46  2.50  
105  266  HG11  58  0.42  2.02  
106  267  CE1   59  0.53  2.44  
107  270  HG13  60  0.63  1.80  
108  270  CG1   61  0.60  2.31  
109  273  HB3   60  0.63  1.80  
110  273  HB3   61  0.60  2.31  
111  275  HA3   59  0.53  2.44  
112  276  HE1   26  0.55  1.71  
113  278  HG22  62  0.61  2.00  
114  278  CG2   63  0.40  2.67  
115  282  HD11  57  0.46  2.50  
116  291  OD2   62  0.61  2.00  
117  291  OD2   63  0.40  2.67  
118  292  HB3   24  0.59  1.84  
119  292  CB    25  0.49  2.42  
120  300  HA    56  0.56  2.05  
121  303  HB2   58  0.42  2.02  
122  305  HG11  64  0.42  2.02  
123  308  HG22  64  0.42  2.02  
124  311  O     65  0.58  2.32  
125  313  NE2   65  0.58  2.32  
126  313  O     55  0.50  2.12  
127  320  HG22  66  0.73  2.17  
128  320  HG22  67  0.65  1.77  
129  320  HG22  68  0.59  1.83  
130  320  HA    69  0.63  1.99  
131  329  C     70  0.56  2.26  
132  329  O     71  0.47  2.14  
133  330  HD12  70  0.56  2.26  
134  330  HD12  71  0.47  2.14  
135  338  O     72  0.52  2.09  
136  340  HA    73  0.45  1.98  
137  341  CG1   74  0.60  2.31  
138  341  HG22  72  0.52  2.09  
139  343  HB3   73  0.45  1.98  
140  351  CG2   75  0.69  2.23  
141  351  HG23  76  0.57  1.87  
142  351  HD13  77  0.51  2.39  
143  351  HG22  78  0.46  1.98  
144  351  CD1   79  0.41  2.51  
145  352  HD2   75  0.69  2.23  
146  352  HD2   76  0.57  1.87  
147  352  HD2   78  0.46  1.98  
148  352  O     80  0.54  2.08  
149  353  HA    81  0.42  2.49  
150  356  HG2   80  0.54  2.08  
151  356  CG    81  0.42  2.49  
152  358  HD13  82  1.05  1.36  
153  358  HD13  83  0.76  2.16  
154  360  HB3   84  0.62  1.82  
155  360  CE2   85  0.43  2.53  
156  365  HD11  84  0.62  1.82  
157  366  OE2   36  0.64  1.97  
158  370  O     86  0.68  1.93  
159  370  O     87  0.61  2.31  
160  370  HG22  88  0.48  2.14  
161  370  HG23  89  0.42  1.83  
162  371  HD11  74  0.60  2.31  
163  373  HB2   86  0.68  1.93  
164  373  N     87  0.61  2.31  
165  373  OD2   88  0.48  2.14  
166  373  H     89  0.42  1.83  
167  374  HB2   90  0.52  1.91  
168  376  HG13  90  0.52  1.91  
169  376  HG12  85  0.43  2.53  
170  377  O     91  0.70  1.91  
171  380  HB2   91  0.70  1.91  
172  382  HD23  82  1.05  1.36  
173  382  CD2   83  0.76  2.16  
174  382  CB    66  0.73  2.17  
175  382  HB2   67  0.65  1.77  
176  382  O     69  0.63  1.99  
177  382  HB3   68  0.59  1.83  
178  384  HD12  92  0.45  1.81  
179  384  HD12  93  0.45  2.32  
180  385  H     92  0.45  1.81  
181  385  N     93  0.45  2.32  
182  386  CD2   77  0.51  2.39  
183  386  HD21  79  0.41  2.51  
184  389  HD2   34  0.77  1.66  
185  391  OXT   28  0.42  2.19  
186  392  H12   31  0.57  1.86  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  15  OG1  0  1_555  0.08  2.12  
2  97  OD2  0  4_874  0.08  2.12  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   54  CA  CB  CG  127.134  115.300  2.300   5.14  
2  335  N   CA  C    89.948  111.000  2.700  -7.80  
3  384  CA  CB  CG  102.051  115.300  2.300  -5.76  
#
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   7  0.790  0.443   2.414  
  2    2   8  0.902  0.232  -0.270  
  3    3   9  0.795  0.252  -0.039  
  4    4   7  0.935  0.270   0.171  
  5    5   8  0.956  0.173  -0.831  
  6    6   7  0.897  0.262   0.099  
  7    7   7  0.917  0.228   0.149  
  8    8   7  0.953  0.255   0.037  
  9    9   8  0.909  0.191  -0.264  
 10   10   4  0.976  0.098  -0.937  
 11   11   7  0.983  0.162  -0.794  
 12   12   8  0.910  0.215   0.007  
 13   13  11  0.962  0.589   2.848  
 14   14  11  0.909  0.313   0.318  
 15   15   7  0.907  0.146  -0.715  
 16   16   7  0.931  0.237  -0.124  
 17   17   7  0.900  0.243  -0.071  
 18   18   8  0.892  0.270   0.019  
 19   19   8  0.914  0.231   0.176  
 20   20   8  0.942  0.111  -1.091  
 21   21   4  0.875  0.279  -0.057  
 22   22   8  0.897  0.368   1.623  
 23   23   7  0.925  0.305   0.960  
 24   24  12  0.930  0.294   0.412  
 25   25  11  0.943  0.258  -0.116  
 26   26   6  0.916  0.234   0.320  
 27   27   9  0.898  0.190  -0.500  
 28   28   8  0.877  0.251  -0.147  
 29   29   4  0.960  0.155  -0.425  
 30   30   6  0.935  0.231   0.499  
 31   31   7  0.987  0.257   0.054  
 32   32  11  0.947  0.251  -0.115  
 33   33  11  0.886  0.300   0.315  
 34   34   8  0.821  0.285   0.747  
 35   35   4  0.952  0.331   1.154  
 36   36   5  0.962  0.099  -1.099  
 37   37   8  0.956  0.177  -0.408  
 38   38   8  0.967  0.147  -1.039  
 39   39   6  0.955  0.239   0.373  
 40   40   8  0.921  0.175  -0.429  
 41   41   7  0.950  0.166  -0.505  
 42   42   8  0.949  0.266   0.037  
 43   43   7  0.966  0.238   0.204  
 44   44   8  0.882  0.172  -0.460  
 45   45   9  0.724  0.647   3.423  
 46   46   4  0.827  0.301   0.115  
 47   47   9  0.930  0.169  -0.702  
 48   48   8  0.906  0.213  -0.014  
 49   49   4  0.870  0.182  -0.183  
 50   50  10  0.762  0.338   1.129  
 51   51   6  0.916  0.213   0.100  
 52   52   8  0.956  0.202  -0.577  
 53   53  12  0.876  0.238  -0.108  
 54   54   8  0.966  0.287   0.168  
 55   55   5  0.967  0.205  -0.113  
 56   56   8  0.923  0.149  -0.697  
 57   57   8  0.887  0.170  -0.468  
 58   58   8  0.961  0.125  -1.252  
 59   59   7  0.976  0.086  -1.348  
 60   60   5  0.965  0.134  -0.773  
 61   61   8  0.944  0.214  -0.028  
 62   62   9  0.954  0.256  -0.004  
 63   63   7  0.955  0.173  -0.431  
 64   64   5  0.945  0.211  -0.587  
 65   65   5  0.989  0.243   0.241  
 66   66   8  0.963  0.127  -1.234  
 67   67   9  0.920  0.280  -0.049  
 68   68   9  0.896  0.310   0.470  
 69   69   8  0.972  0.167  -0.883  
 70   70  12  0.950  0.192  -0.535  
 71   71   4  0.972  0.127  -0.677  
 72   72   7  0.975  0.136  -0.811  
 73   73   7  0.980  0.103  -1.321  
 74   74   8  0.916  0.219   0.024  
 75   75   7  0.950  0.235   0.174  
 76   76   7  0.950  0.329   1.213  
 77   77  11  0.959  0.162  -0.895  
 78   78   8  0.974  0.171  -0.848  
 79   79  10  0.941  0.173  -0.523  
 80   80  11  0.862  0.350   0.611  
 81   81  11  0.963  0.191  -0.641  
 82   82  12  0.966  0.223  -0.247  
 83   83   6  0.960  0.174  -0.310  
 84   84   8  0.979  0.163  -0.918  
 85   85   9  0.956  0.195  -0.712  
 86   86   5  0.958  0.192  -0.233  
 87   87   5  0.981  0.128  -0.829  
 88   88   7  0.962  0.158  -0.829  
 89   89  10  0.775  0.395   1.700  
 90   90   4  0.950  0.238   0.320  
 91   91  14  0.921  0.152  -0.894  
 92   92   5  0.941  0.127  -1.243  
 93   93   8  0.969  0.127  -0.995  
 94   94   7  0.983  0.166  -0.758  
 95   95   7  0.951  0.189  -0.553  
 96   96   6  0.923  0.229   0.475  
 97   97   8  0.956  0.110  -1.098  
 98   98   8  0.956  0.123  -1.274  
 99   99   7  0.973  0.194  -0.508  
100  100  11  0.933  0.224  -0.385  
101  101   6  0.978  0.173  -0.320  
102  102   8  0.975  0.182  -0.752  
103  103   8  0.935  0.231  -0.431  
104  104   8  0.972  0.363   0.834  
105  105   6  0.985  0.213   0.100  
106  106   8  0.967  0.169  -0.491  
107  107   8  0.911  0.247   0.345  
108  108   8  0.953  0.165  -0.521  
109  109   6  0.906  0.315   1.170  
110  110  12  0.937  0.265   0.143  
111  111   8  0.970  0.356   0.773  
112  112   8  0.969  0.207  -0.077  
113  113   5  0.976  0.220   0.027  
114  114   7  0.954  0.321   0.626  
115  115   8  0.945  0.340   0.706  
116  116   8  0.883  0.236   0.017  
117  117   7  0.972  0.147  -0.705  
118  118   8  0.972  0.214  -0.472  
119  119   8  0.982  0.101  -1.190  
120  120   8  0.952  0.314   0.405  
121  121   8  0.979  0.114  -1.348  
122  122   5  0.978  0.105  -1.414  
123  123   8  0.872  0.220   0.034  
124  124   8  0.983  0.171  -0.822  
125  125   5  0.965  0.140  -1.141  
126  126  11  0.960  0.151  -0.991  
127  127   7  0.972  0.148  -0.919  
128  128   8  0.966  0.182  -0.722  
129  129   7  0.971  0.147  -0.701  
130  130   5  0.982  0.079  -1.285  
131  131   8  0.966  0.147  -1.059  
132  132   9  0.953  0.284   0.401  
133  133  10  0.818  0.298   0.729  
134  134   5  0.980  0.103  -1.061  
135  135  11  0.955  0.189  -0.658  
136  136   8  0.942  0.346   1.038  
137  137   9  0.931  0.439   1.191  
138  138  10  0.980  0.189  -0.362  
139  139   7  0.971  0.261  -0.197  
140  140   4  0.925  0.281   0.706  
141  141   4  0.942  0.153  -0.443  
142  142   8  0.914  0.337   1.238  
143  143   6  0.932  0.172  -0.331  
144  144   7  0.934  0.210  -0.041  
145  145   8  0.882  0.261   0.456  
146  146  11  0.949  0.393   1.130  
147  147   8  0.973  0.426   1.484  
148  148   5  0.981  0.295   0.725  
149  149   8  0.981  0.266  -0.016  
150  150   8  0.918  0.353   0.824  
151  151   8  0.919  0.276   0.388  
152  152   5  0.955  0.175  -0.392  
153  153  12  0.969  0.137  -1.045  
154  154   4  0.969  0.185  -0.156  
155  155   8  0.925  0.177  -0.394  
156  156   6  0.979  0.124  -0.757  
157  157   7  0.956  0.122  -0.968  
158  158  11  0.953  0.180  -0.737  
159  159   4  0.863  0.191  -0.102  
160  160   5  0.952  0.152  -0.606  
161  161   7  0.934  0.265   0.473  
162  162   8  0.914  0.209  -0.079  
163  163   8  0.946  0.274   0.590  
164  164   5  0.988  0.171  -0.429  
165  165   6  0.955  0.223   0.205  
166  166  11  0.908  0.330   0.453  
167  167   8  0.962  0.179  -0.778  
168  168   8  0.980  0.185  -0.726  
169  169  10  0.960  0.205  -0.202  
170  170   7  0.951  0.167  -0.494  
171  171   7  0.968  0.203  -0.428  
172  172   8  0.979  0.146  -1.067  
173  173   5  0.979  0.123  -0.875  
174  174   8  0.977  0.117  -1.321  
175  175   5  0.988  0.111  -0.987  
176  176   7  0.934  0.149  -0.941  
177  177   8  0.977  0.231  -0.323  
178  178   6  0.937  0.203   0.170  
179  179   6  0.947  0.272   0.980  
180  180   6  0.887  0.246   0.446  
181  181   5  0.980  0.265   0.446  
182  182   8  0.898  0.211  -0.487  
183  183   8  0.844  0.267   0.305  
184  184   7  0.971  0.253   0.019  
185  185  14  0.811  0.368   1.261  
186  186  11  0.778  0.314   0.326  
187  187   8  0.687  0.383   1.110  
188  188  14  0.923  0.398   1.561  
189  189   6  0.957  0.161  -0.323  
190  190   8  0.902  0.248   0.356  
191  191   7  0.945  0.204  -0.419  
192  192   6  0.868  0.194   0.065  
193  193   4  0.928  0.247   0.400  
194  194   8  0.958  0.223  -0.352  
195  195   6  0.858  0.267  -0.151  
196  196   8  0.951  0.170  -0.480  
197  197   7  0.959  0.133  -1.053  
198  198   7  0.969  0.144  -0.954  
199  199   8  0.966  0.159  -0.954  
200  200   4  0.941  0.182  -0.577  
201  201   4  0.955  0.230   0.248  
202  202   8  0.949  0.196  -0.629  
203  203   6  0.955  0.106  -1.406  
204  204   5  0.956  0.212  -0.047  
205  205   6  0.873  0.360   2.013  
206  206   6  0.933  0.298   1.285  
207  207  12  0.915  0.230  -0.182  
208  208   7  0.965  0.326   0.671  
209  209   4  0.948  0.343   1.262  
210  210   7  0.965  0.261   0.090  
211  211   9  0.930  0.231  -0.107  
212  212   7  0.900  0.193  -0.220  
213  213   7  0.958  0.168  -0.740  
214  214   9  0.869  0.337   0.706  
215  215   8  0.834  0.217   0.003  
216  216   8  0.966  0.275   0.063  
217  217  11  0.890  0.180  -0.732  
218  218   5  0.904  0.295   0.725  
219  219   4  0.881  0.292   0.152  
220  220   4  0.824  0.375   1.307  
221  221   7  0.899  0.577   3.826  
222  222   4  0.475  0.560   2.882  
223  223   4  0.354  0.570   2.849  
224  224   6  0.690  0.340   1.778  
225  225   7  0.876  0.634   3.756  
226  226   6  0.864  0.405   2.541  
227  227   4  0.884  0.361   1.424  
228  228   4  0.796  0.317   1.029  
229  229   8  0.669  0.520   2.310  
230  230   4  0.607  0.734   3.644  
231  231  10  0.757  0.648   4.232  
232  232   4  0.664  0.402   1.021  
233  233   8  0.874  0.475   2.232  
234  234   8  0.960  0.144  -1.085  
235  235   7  0.937  0.455   1.822  
236  236   5  0.941  0.272   0.137  
237  237  10  0.820  0.288   0.629  
238  238   7  0.925  0.321   1.129  
239  239   7  0.961  0.185  -0.305  
240  240   7  0.972  0.210  -0.075  
241  241  14  0.944  0.207  -0.345  
242  242   8  0.970  0.339   0.624  
243  243   8  0.981  0.309   0.361  
244  244   8  0.969  0.226  -0.366  
245  245   6  0.939  0.205   0.016  
246  246   4  0.891  0.156  -0.417  
247  247   7  0.887  0.145  -0.726  
248  248   7  0.880  0.214  -0.035  
249  249   8  0.903  0.344   1.370  
250  250   6  0.869  0.423   1.460  
251  251   6  0.947  0.202  -0.658  
252  252   8  0.944  0.245  -0.200  
253  253   4  0.869  0.130  -1.079  
254  254   7  0.908  0.191  -0.241  
255  255   7  0.877  0.268   0.570  
256  256   4  0.855  0.421   2.282  
257  257   5  0.813  0.274   0.633  
258  258   5  0.923  0.310   0.864  
259  259   7  0.911  0.142  -0.751  
260  260   8  0.750  0.401   1.896  
261  261  11  0.874  0.230  -0.299  
262  262   7  0.896  0.241  -0.088  
263  263   5  0.969  0.215  -0.020  
264  264  11  0.960  0.311   0.411  
265  265   8  0.930  0.375   1.697  
266  266   7  0.945  0.312   0.546  
267  267  11  0.952  0.240  -0.211  
268  268   9  0.899  0.205  -0.357  
269  269   4  0.926  0.108  -0.847  
270  270   8  0.900  0.344   0.742  
271  271   9  0.859  0.217  -0.345  
272  272   7  0.888  0.262   0.507  
273  273   5  0.835  0.408   1.776  
274  274   7  0.913  0.310   0.528  
275  275   4  0.941  0.127  -0.677  
276  276  10  0.926  0.192  -0.332  
277  277  12  0.962  0.175  -0.693  
278  278   7  0.964  0.206  -0.401  
279  279  10  0.953  0.208  -0.172  
280  280   5  0.975  0.251   0.315  
281  281  11  0.851  0.324   0.405  
282  282   8  0.909  0.224  -0.384  
283  283   4  0.883  0.123  -1.274  
284  284   4  0.727  0.278   0.679  
285  285   4  0.850  0.427   2.016  
286  286   5  0.798  0.155  -0.989  
287  287   5  0.846  0.223  -0.352  
288  288   8  0.911  0.273   0.046  
289  289   4  0.895  0.315   0.224  
290  290  11  0.965  0.195  -0.606  
291  291   8  0.909  0.149  -0.697  
292  292   6  0.963  0.174  -0.310  
293  293   4  0.946  0.218   0.140  
294  294   7  0.877  0.155  -0.621  
295  295   7  0.933  0.194  -0.508  
296  296   6  0.761  0.197  -0.068  
297  297   5  0.397  0.388   0.793  
298  298   7  0.863  0.447   2.456  
299  299   6  0.889  0.318   1.201  
300  300   8  0.899  0.446   2.359  
301  301  12  0.898  0.192  -0.495  
302  302   4  0.888  0.131  -1.211  
303  303   6  0.848  0.204   0.182  
304  304   6  0.835  0.285  -0.010  
305  305   7  0.911  0.198  -0.472  
306  306   7  0.895  0.261   0.496  
307  307   8  0.948  0.228   0.116  
308  308   7  0.953  0.273   0.197  
309  309   8  0.955  0.220  -0.419  
310  310  11  0.962  0.188  -0.667  
311  311   7  0.931  0.147  -0.701  
312  312   4  0.914  0.134  -0.614  
313  313   9  0.941  0.161  -0.779  
314  314   7  0.842  0.199  -0.681  
315  315  12  0.865  0.280   0.282  
316  316   6  0.704  0.437   2.450  
317  317   6  0.825  0.431   2.387  
318  318   5  0.783  0.223  -0.352  
319  319   4  0.859  0.149  -1.009  
320  320   7  0.830  0.274   0.206  
321  321   4  0.823  0.383   0.754  
322  322   7  0.562  0.339   1.318  
323  323   4  0.788  0.439   1.500  
324  324   7  0.833  0.551   3.552  
325  325   4  0.420  0.557   3.183  
326  326   4  0.696  0.744   3.570  
327  327   7  0.877  0.561   3.658  
328  328   4  0.881  0.263   0.010  
329  329   4  0.891  0.171  -0.452  
330  330   8  0.801  0.310   0.370  
331  331   9  0.472  0.265   0.075  
332  332   4  0.725  0.195  -0.499  
333  333   9  0.792  0.285   0.251  
334  334   7  0.952  0.145  -0.721  
335  335   4  0.838  0.282   0.824  
336  336   8  0.740  0.385   1.731  
337  337   7  0.757  0.349   1.424  
338  338   8  0.938  0.296   0.308  
339  339   6  0.920  0.149  -0.941  
340  340   8  0.771  0.309   1.000  
341  341   7  0.946  0.332   0.724  
342  342   5  0.519  0.487   1.566  
343  343   5  0.913  0.404   1.739  
344  344   4  0.818  0.374   0.684  
345  345   4  0.510  0.363   0.914  
346  346   4  0.937  0.423   1.733  
347  347   4  0.892  0.281   0.662  
348  348   4  0.961  0.294   0.060  
349  349   5  0.869  0.221  -0.310  
350  350   4  0.745  0.420   1.953  
351  351   8  0.897  0.636   3.382  
352  352   7  0.862  0.626   4.065  
353  353   7  0.815  0.489   2.701  
354  354   8  0.901  0.250   0.343  
355  355   9  0.831  0.263   0.199  
356  356   8  0.645  0.351   1.043  
357  357  11  0.924  0.297   0.192  
358  358   8  0.903  0.509   2.114  
359  359   8  0.918  0.308   0.417  
360  360  11  0.945  0.244  -0.176  
361  361   5  0.947  0.099  -1.099  
362  362   4  0.940  0.193  -0.084  
363  363   6  0.880  0.306   0.154  
364  364   9  0.916  0.468   2.165  
365  365   8  0.926  0.175  -0.813  
366  366   9  0.886  0.277   0.181  
367  367   8  0.822  0.222   0.055  
368  368   4  0.781  0.145  -0.515  
369  369   4  0.834  0.157  -0.914  
370  370   7  0.830  0.357   1.508  
371  371   8  0.903  0.207  -0.533  
372  372   4  0.876  0.361   1.653  
373  373   8  0.910  0.388   1.762  
374  374  12  0.847  0.337   0.812  
375  375   4  0.878  0.444   2.426  
376  376   8  0.862  0.319   0.516  
377  377   5  0.883  0.382   1.340  
378  378   4  0.780  0.410   0.965  
379  379   4  0.772  0.437   1.583  
380  380   6  0.838  0.328   1.306  
381  381   4  0.770  0.176  -0.399  
382  382   8  0.870  0.223  -0.393  
383  383  10  0.725  0.485   2.601  
384  384   8  0.947  0.204  -0.559  
385  385   7  0.934  0.268   0.153  
386  386   8  0.827  0.457   1.658  
387  387  11  0.710  0.489   1.709  
388  388   8  0.954  0.253  -0.130  
389  389  11  0.710  0.391   0.934  
390  390   4  0.905  0.257   0.490  
391  391   5  0.792  0.761   5.014  
392  392   4  0.743  0.666       ?  
393  393   4  0.824  0.296       ?  
394  394   1  0.865  0.067       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
