data_5AAE

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   5AAE       
PDBE  EBI-64368  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5AAE
_pdbx_vrpt_summary.PDB_deposition_date         2015-07-24
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-01-10
_pdbx_vrpt_summary.report_creation_date        2024-01-03:05:42
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "AURORA KINASE A"  
2  non-polymer  3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.11  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  27.08  141614     ?     ?  
 2  2  1  58.82    1389  3.10  3.14  
 3  1  2  34.01  138981     ?     ?  
 4  2  2  67.84    1337  3.10  3.14  
 5  1  3  88.33  138945     ?     ?  
 6  2  3  94.39    1337  3.10  3.14  
 7  1  4  92.08  127900     ?     ?  
 8  2  4  85.32    1260  3.10  3.14  
 9  1  5   8.24  130704     ?     ?  
10  2  5  26.86    1292  3.10  3.14  
#
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  34.01  
2  4  2  A  1  1  A  67.84  
3  5  3  A  1  1  A  88.33  
4  6  3  A  1  1  A  94.39  
5  7  4  A  1  1  A  92.08  
6  8  4  A  1  1  A  85.32  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.45
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.24
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2030
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2756
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.40
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.50
_pdbx_vrpt_summary_geometry.clashscore                     10.13
_pdbx_vrpt_summary_geometry.num_H_reduce                   1939
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2030
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.24
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2756
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.45
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            85.543
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         118.421
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.54(3.13A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6450
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.315
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.479
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.310
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.931
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.29
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.11
_pdbx_vrpt_summary_diffraction.EDS_res_low               54.12
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[115.324,115.324,126.056,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.090
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.05% 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         99.78
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      310
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.81
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.11
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        54.12
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    8  ARG  A   126  .  ?        ?     ?     ?     ?  
  2  1  1  A    9  GLN  A   127  .  ?        ?     ?     ?     ?  
  3  1  1  A   10  TRP  A   128  .  ?        ?     ?     ?     ?  
  4  1  1  A   11  ALA  A   129  .  ?        ?     ?     ?     ?  
  5  1  1  A   12  LEU  A   130  .  ?        ?     ?     ?     ?  
  6  1  1  A   13  GLU  A   131  .  ?        ?     ?     ?     ?  
  7  1  1  A   14  ASP  A   132  .  ?        ?     ?     ?     ?  
  8  1  1  A   15  PHE  A   133  .  ?        ?     ?     ?     ?  
  9  1  1  A   16  GLU  A   134  .  ?        ?     ?     ?     ?  
 10  1  1  A   17  ILE  A   135  .  ?        ?     ?     ?     ?  
 11  1  1  A   18  GLY  A   136  .  ?        ?     ?     ?     ?  
 12  1  1  A   19  ARG  A   137  .  ?        ?     ?     ?     ?  
 13  1  1  A   20  PRO  A   138  .  ?        ?     ?     ?     ?  
 14  1  1  A   21  LEU  A   139  .  ?        1     ?     ?     ?  
 15  1  1  A   22  GLY  A   140  .  ?        ?     ?     ?     ?  
 16  1  1  A   23  LYS  A   141  .  ?        ?     ?     ?     ?  
 17  1  1  A   24  GLY  A   142  .  ?        ?     ?     ?     ?  
 18  1  1  A   25  LYS  A   143  .  ?        ?     ?     ?     ?  
 19  1  1  A   26  PHE  A   144  .  ?        ?     ?     ?     ?  
 20  1  1  A   27  GLY  A   145  .  ?        1     ?     ?     ?  
 21  1  1  A   28  ASN  A   146  .  ?        ?     ?     ?     ?  
 22  1  1  A   29  VAL  A   147  .  ?        ?     ?     ?     ?  
 23  1  1  A   30  TYR  A   148  .  ?        ?     ?     ?     ?  
 24  1  1  A   31  LEU  A   149  .  ?        1     ?     ?     ?  
 25  1  1  A   32  ALA  A   150  .  ?        ?     ?     ?     ?  
 26  1  1  A   33  ARG  A   151  .  ?        ?     ?     ?     ?  
 27  1  1  A   34  GLU  A   152  .  ?        2     ?     ?     ?  
 28  1  1  A   35  LYS  A   153  .  ?        ?     ?     ?     ?  
 29  1  1  A   36  GLN  A   154  .  ?        1     ?     ?     ?  
 30  1  1  A   37  SER  A   155  .  ?        1     ?     ?     ?  
 31  1  1  A   38  LYS  A   156  .  ?        ?     ?     ?     ?  
 32  1  1  A   39  PHE  A   157  .  ?        1     ?     ?     ?  
 33  1  1  A   40  ILE  A   158  .  ?        ?     ?     ?     ?  
 34  1  1  A   41  LEU  A   159  .  ?        1     ?     ?     ?  
 35  1  1  A   42  ALA  A   160  .  ?        ?     ?     ?     ?  
 36  1  1  A   43  LEU  A   161  .  ?        ?     ?     ?     ?  
 37  1  1  A   44  LYS  A   162  .  ?        ?     ?     ?     ?  
 38  1  1  A   45  VAL  A   163  .  ?        ?     ?     ?     ?  
 39  1  1  A   46  LEU  A   164  .  ?        1     ?     ?     ?  
 40  1  1  A   47  PHE  A   165  .  ?        1     ?     ?     ?  
 41  1  1  A   48  LYS  A   166  .  ?        1     ?     ?     ?  
 42  1  1  A   49  ALA  A   167  .  ?        ?     ?     ?     ?  
 43  1  1  A   50  GLN  A   168  .  ?        ?     ?     ?     ?  
 44  1  1  A   51  LEU  A   169  .  ?        1     ?     ?     ?  
 45  1  1  A   52  GLU  A   170  .  ?        1     ?     ?     ?  
 46  1  1  A   53  LYS  A   171  .  ?        ?     ?     ?     ?  
 47  1  1  A   54  ALA  A   172  .  ?        ?     ?     ?     ?  
 48  1  1  A   55  GLY  A   173  .  ?        1     ?     ?     ?  
 49  1  1  A   56  VAL  A   174  .  ?        ?     ?     ?     ?  
 50  1  1  A   57  GLU  A   175  .  ?        ?     ?     ?     ?  
 51  1  1  A   58  HIS  A   176  .  ?        ?     ?     ?     ?  
 52  1  1  A   59  GLN  A   177  .  ?        1     ?     ?     ?  
 53  1  1  A   60  LEU  A   178  .  ?        ?     ?     ?     ?  
 54  1  1  A   61  ARG  A   179  .  ?        ?     ?     ?     ?  
 55  1  1  A   62  ARG  A   180  .  ?        ?     ?     ?     ?  
 56  1  1  A   63  GLU  A   181  .  ?        1     ?     ?     ?  
 57  1  1  A   64  VAL  A   182  .  ?        ?     ?     ?     ?  
 58  1  1  A   65  GLU  A   183  .  ?        ?     ?     ?     ?  
 59  1  1  A   66  ILE  A   184  .  ?        1     ?     ?     ?  
 60  1  1  A   67  GLN  A   185  .  ?        ?     ?     ?     ?  
 61  1  1  A   68  SER  A   186  .  ?        ?     ?     ?     ?  
 62  1  1  A   69  HIS  A   187  .  ?        ?     ?     ?     ?  
 63  1  1  A   70  LEU  A   188  .  ?        1     ?     ?     ?  
 64  1  1  A   71  ARG  A   189  .  ?        ?     ?     ?     ?  
 65  1  1  A   72  HIS  A   190  .  ?        1     ?     ?     ?  
 66  1  1  A   73  PRO  A   191  .  ?        1     ?     ?     ?  
 67  1  1  A   74  ASN  A   192  .  ?        1     ?     ?     ?  
 68  1  1  A   75  ILE  A   193  .  ?        ?     ?     ?     ?  
 69  1  1  A   76  LEU  A   194  .  ?        ?     ?     ?     ?  
 70  1  1  A   77  ARG  A   195  .  ?        ?     ?     ?     ?  
 71  1  1  A   78  LEU  A   196  .  ?        ?     ?     ?     ?  
 72  1  1  A   79  TYR  A   197  .  ?        ?     ?     ?     ?  
 73  1  1  A   80  GLY  A   198  .  ?        ?     ?     ?     ?  
 74  1  1  A   81  TYR  A   199  .  ?        ?     ?     ?     ?  
 75  1  1  A   82  PHE  A   200  .  ?        ?     ?     ?     ?  
 76  1  1  A   83  HIS  A   201  .  ?        ?     ?     ?     ?  
 77  1  1  A   84  ASP  A   202  .  ?        1     ?     ?     ?  
 78  1  1  A   85  ALA  A   203  .  ?        ?     ?     ?     ?  
 79  1  1  A   86  THR  A   204  .  ?        ?     ?     ?     ?  
 80  1  1  A   87  ARG  A   205  .  ?        2     ?     ?     ?  
 81  1  1  A   88  VAL  A   206  .  ?        ?     ?     ?     ?  
 82  1  1  A   89  TYR  A   207  .  ?        ?     ?     ?     ?  
 83  1  1  A   90  LEU  A   208  .  ?        ?     ?     ?     ?  
 84  1  1  A   91  ILE  A   209  .  ?        ?     ?     ?     ?  
 85  1  1  A   92  LEU  A   210  .  ?        ?     ?     ?     ?  
 86  1  1  A   93  GLU  A   211  .  ?        ?     ?     ?     ?  
 87  1  1  A   94  TYR  A   212  .  ?        ?     ?     ?     ?  
 88  1  1  A   95  ALA  A   213  .  ?        ?     ?     ?     ?  
 89  1  1  A   96  PRO  A   214  .  ?        ?     ?     ?     ?  
 90  1  1  A   97  LEU  A   215  .  ?        ?     ?     ?     ?  
 91  1  1  A   98  GLY  A   216  .  ?        ?     ?     ?     ?  
 92  1  1  A   99  THR  A   217  .  ?        ?     ?     ?     ?  
 93  1  1  A  100  VAL  A   218  .  ?        ?     ?     ?     ?  
 94  1  1  A  101  TYR  A   219  .  ?        ?     ?     ?     ?  
 95  1  1  A  102  ARG  A   220  .  ?        ?     ?     ?     ?  
 96  1  1  A  103  GLU  A   221  .  ?        ?     ?     ?     ?  
 97  1  1  A  104  LEU  A   222  .  ?        1     ?     ?     ?  
 98  1  1  A  105  GLN  A   223  .  ?        ?     ?     ?     ?  
 99  1  1  A  106  LYS  A   224  .  ?        ?     ?     ?     ?  
100  1  1  A  107  LEU  A   225  .  ?        ?     ?     ?     ?  
101  1  1  A  108  SER  A   226  .  ?        ?     ?     ?     ?  
102  1  1  A  109  LYS  A   227  .  ?        ?     ?     ?     ?  
103  1  1  A  110  PHE  A   228  .  ?        ?     ?     ?     ?  
104  1  1  A  111  ASP  A   229  .  ?        ?     ?     ?     ?  
105  1  1  A  112  GLU  A   230  .  ?        ?     ?     ?     ?  
106  1  1  A  113  GLN  A   231  .  ?        ?     ?     ?     ?  
107  1  1  A  114  ARG  A   232  .  ?        ?     ?     ?     ?  
108  1  1  A  115  THR  A   233  .  ?        ?     ?     ?     ?  
109  1  1  A  116  ALA  A   234  .  ?        ?     ?     ?     ?  
110  1  1  A  117  THR  A   235  .  ?        ?     ?     ?     ?  
111  1  1  A  118  TYR  A   236  .  ?        ?     ?     ?     ?  
112  1  1  A  119  ILE  A   237  .  ?        ?     ?     ?     ?  
113  1  1  A  120  THR  A   238  .  ?        ?     ?     ?     ?  
114  1  1  A  121  GLU  A   239  .  ?        ?     ?     ?     ?  
115  1  1  A  122  LEU  A   240  .  ?        ?     ?     ?     ?  
116  1  1  A  123  ALA  A   241  .  ?        ?     ?     ?     ?  
117  1  1  A  124  ASN  A   242  .  ?        ?     ?     ?     ?  
118  1  1  A  125  ALA  A   243  .  ?        1     ?     ?     ?  
119  1  1  A  126  LEU  A   244  .  ?        1     ?     ?     ?  
120  1  1  A  127  SER  A   245  .  ?        ?     ?     ?     ?  
121  1  1  A  128  TYR  A   246  .  ?        ?     ?     ?     ?  
122  1  1  A  129  CYS  A   247  .  ?        ?     ?     ?     ?  
123  1  1  A  130  HIS  A   248  .  ?        ?     ?     ?     ?  
124  1  1  A  131  SER  A   249  .  ?        ?     ?     ?     ?  
125  1  1  A  132  LYS  A   250  .  ?        ?     ?     ?     ?  
126  1  1  A  133  ARG  A   251  .  ?        ?     ?     ?     ?  
127  1  1  A  134  VAL  A   252  .  ?        ?     ?     ?     ?  
128  1  1  A  135  ILE  A   253  .  ?        ?     ?     ?     ?  
129  1  1  A  136  HIS  A   254  .  ?        4     ?     ?     ?  
130  1  1  A  137  ARG  A   255  .  ?        1     ?     ?     ?  
131  1  1  A  138  ASP  A   256  .  ?        1     ?     ?     ?  
132  1  1  A  139  ILE  A   257  .  ?        2     ?     ?     ?  
133  1  1  A  140  LYS  A   258  .  ?        ?     ?     ?     ?  
134  1  1  A  141  PRO  A   259  .  ?        ?     ?     ?     ?  
135  1  1  A  142  GLU  A   260  .  ?        ?     ?     ?     ?  
136  1  1  A  143  ASN  A   261  .  ?        ?     ?     ?     ?  
137  1  1  A  144  LEU  A   262  .  ?        1     ?     ?     ?  
138  1  1  A  145  LEU  A   263  .  ?        ?     ?     ?     ?  
139  1  1  A  146  LEU  A   264  .  ?        ?     ?     ?     ?  
140  1  1  A  147  GLY  A   265  .  ?        ?     ?     ?     ?  
141  1  1  A  148  SER  A   266  .  ?        ?     ?     ?     ?  
142  1  1  A  149  ALA  A   267  .  ?        ?     ?     ?     ?  
143  1  1  A  150  GLY  A   268  .  ?        ?     ?     ?     ?  
144  1  1  A  151  GLU  A   269  .  ?        ?     ?     ?     ?  
145  1  1  A  152  LEU  A   270  .  ?        1     ?     ?     ?  
146  1  1  A  153  LYS  A   271  .  ?        ?     ?     ?     ?  
147  1  1  A  154  ILE  A   272  .  ?        ?     ?     ?     ?  
148  1  1  A  155  ALA  A   273  .  ?        ?     ?     ?     ?  
149  1  1  A  156  ASP  A   274  .  ?        ?     ?     ?     ?  
150  1  1  A  157  PHE  A   275  .  ?        ?     ?     ?     ?  
151  1  1  A  158  GLY  A   276  .  ?        ?     ?     ?     ?  
152  1  1  A  159  TRP  A   277  .  ?        ?     ?     ?     ?  
153  1  1  A  160  SER  A   278  .  ?        1     ?     ?     ?  
154  1  1  A  161  VAL  A   279  .  ?        ?     ?     ?     ?  
155  1  1  A  173  GLY  A   291  .  ?        ?     ?     ?     ?  
156  1  1  A  174  THR  A   292  .  ?        ?     ?     ?     ?  
157  1  1  A  175  LEU  A   293  .  ?        ?     ?     ?     ?  
158  1  1  A  176  ASP  A   294  .  ?        ?     ?     ?     ?  
159  1  1  A  177  TYR  A   295  .  ?        ?     ?     ?     ?  
160  1  1  A  178  LEU  A   296  .  ?        1     ?     ?     ?  
161  1  1  A  179  PRO  A   297  .  ?        2     ?     ?     ?  
162  1  1  A  180  PRO  A   298  .  ?        ?     ?     ?     ?  
163  1  1  A  181  GLU  A   299  .  ?        ?     ?     ?     ?  
164  1  1  A  182  MET  A   300  .  ?        1     ?     ?     ?  
165  1  1  A  183  ILE  A   301  .  ?        ?     ?     ?     ?  
166  1  1  A  184  GLU  A   302  .  ?        1     ?     ?     ?  
167  1  1  A  185  GLY  A   303  .  ?        ?     ?     ?     ?  
168  1  1  A  186  ARG  A   304  .  ?        1     ?     ?     ?  
169  1  1  A  187  MET  A   305  .  ?        1     ?     ?     ?  
170  1  1  A  188  HIS  A   306  .  ?        3     ?     ?     ?  
171  1  1  A  189  ASP  A   307  .  ?        ?     ?     ?     ?  
172  1  1  A  190  GLU  A   308  .  ?        ?     ?     ?     ?  
173  1  1  A  191  LYS  A   309  .  ?        ?     ?     ?     ?  
174  1  1  A  192  VAL  A   310  .  ?        2     ?     ?     ?  
175  1  1  A  193  ASP  A   311  .  ?        ?     ?     ?     ?  
176  1  1  A  194  LEU  A   312  .  ?        ?     ?     ?     ?  
177  1  1  A  195  TRP  A   313  .  ?        ?     ?     ?     ?  
178  1  1  A  196  SER  A   314  .  ?        ?     ?     ?     ?  
179  1  1  A  197  LEU  A   315  .  ?        ?     ?     ?     ?  
180  1  1  A  198  GLY  A   316  .  ?        ?     ?     ?     ?  
181  1  1  A  199  VAL  A   317  .  ?        ?     ?     ?     ?  
182  1  1  A  200  LEU  A   318  .  ?        ?     ?     ?     ?  
183  1  1  A  201  CYS  A   319  .  ?        ?     ?     ?     ?  
184  1  1  A  202  TYR  A   320  .  ?        1     ?     ?     ?  
185  1  1  A  203  GLU  A   321  .  ?        1     ?     ?     ?  
186  1  1  A  204  PHE  A   322  .  ?        ?     ?     ?     ?  
187  1  1  A  205  LEU  A   323  .  ?        ?     ?     ?     ?  
188  1  1  A  206  VAL  A   324  .  ?        ?     ?     ?     ?  
189  1  1  A  207  GLY  A   325  .  ?        ?     ?     ?     ?  
190  1  1  A  208  LYS  A   326  .  ?        ?     ?     ?     ?  
191  1  1  A  209  PRO  A   327  .  ?        1     ?     ?     ?  
192  1  1  A  210  PRO  A   328  .  ?        2     ?     ?     ?  
193  1  1  A  211  PHE  A   329  .  ?        ?     ?     ?     ?  
194  1  1  A  212  GLU  A   330  .  ?        ?     ?     ?     ?  
195  1  1  A  213  ALA  A   331  .  ?        2     ?     ?     ?  
196  1  1  A  214  ASN  A   332  .  ?        ?     ?     ?     ?  
197  1  1  A  215  THR  A   333  .  ?        ?     ?     ?     ?  
198  1  1  A  216  TYR  A   334  .  ?        ?     ?     ?     ?  
199  1  1  A  217  GLN  A   335  .  ?        ?     ?     ?     ?  
200  1  1  A  218  GLU  A   336  .  ?        1     ?     ?     ?  
201  1  1  A  219  THR  A   337  .  ?        1     ?     ?     ?  
202  1  1  A  220  TYR  A   338  .  ?        ?     ?     ?     ?  
203  1  1  A  221  LYS  A   339  .  ?        1     ?     ?     ?  
204  1  1  A  222  ARG  A   340  .  ?        ?     ?     ?     ?  
205  1  1  A  223  ILE  A   341  .  ?        ?     ?     ?     ?  
206  1  1  A  224  SER  A   342  .  ?        ?     ?     ?     ?  
207  1  1  A  225  ARG  A   343  .  ?        4     ?     ?     ?  
208  1  1  A  226  VAL  A   344  .  ?        ?     ?     ?     ?  
209  1  1  A  227  GLU  A   345  .  ?        1     ?     ?     ?  
210  1  1  A  228  PHE  A   346  .  ?        ?     ?     ?     ?  
211  1  1  A  229  THR  A   347  .  ?        ?     ?     ?     ?  
212  1  1  A  230  PHE  A   348  .  ?        1     ?     ?     ?  
213  1  1  A  231  PRO  A   349  .  ?        ?     ?     ?     ?  
214  1  1  A  232  ASP  A   350  .  ?        ?     ?     ?     ?  
215  1  1  A  233  PHE  A   351  .  ?        ?     ?     ?     ?  
216  1  1  A  234  VAL  A   352  .  ?        ?     ?     ?     ?  
217  1  1  A  235  THR  A   353  .  ?        1     ?     ?     ?  
218  1  1  A  236  GLU  A   354  .  ?        ?     ?     ?     ?  
219  1  1  A  237  GLY  A   355  .  ?        ?     ?     ?     ?  
220  1  1  A  238  ALA  A   356  .  ?        ?     ?     ?     ?  
221  1  1  A  239  ARG  A   357  .  ?        1     ?     ?     ?  
222  1  1  A  240  ASP  A   358  .  ?        ?     ?     ?     ?  
223  1  1  A  241  LEU  A   359  .  ?        ?     ?     ?     ?  
224  1  1  A  242  ILE  A   360  .  ?        1     ?     ?     ?  
225  1  1  A  243  SER  A   361  .  ?        ?     ?     ?     ?  
226  1  1  A  244  ARG  A   362  .  ?        ?     ?     ?     ?  
227  1  1  A  245  LEU  A   363  .  ?        ?     ?     ?     ?  
228  1  1  A  246  LEU  A   364  .  ?        ?     ?     ?     ?  
229  1  1  A  247  LYS  A   365  .  ?        2     ?     ?     ?  
230  1  1  A  248  HIS  A   366  .  ?        ?     ?     ?     ?  
231  1  1  A  249  ASN  A   367  .  ?        ?     ?     ?     ?  
232  1  1  A  250  PRO  A   368  .  ?        ?     ?     ?     ?  
233  1  1  A  251  SER  A   369  .  ?        ?     ?     ?     ?  
234  1  1  A  252  GLN  A   370  .  ?        2     ?     ?     ?  
235  1  1  A  253  ARG  A   371  .  ?        ?     ?     ?     ?  
236  1  1  A  254  PRO  A   372  .  ?        ?     ?     ?     ?  
237  1  1  A  255  MET  A   373  .  ?        1     ?     ?     ?  
238  1  1  A  256  LEU  A   374  .  ?        1     ?     ?     ?  
239  1  1  A  257  ARG  A   375  .  ?        ?     ?     ?     ?  
240  1  1  A  258  GLU  A   376  .  ?        ?     ?     ?     ?  
241  1  1  A  259  VAL  A   377  .  ?        ?     ?     ?     ?  
242  1  1  A  260  LEU  A   378  .  ?        ?     ?     ?     ?  
243  1  1  A  261  GLU  A   379  .  ?        ?     ?     ?     ?  
244  1  1  A  262  HIS  A   380  .  ?        ?     ?     ?     ?  
245  1  1  A  263  PRO  A   381  .  ?        ?     ?     ?     ?  
246  1  1  A  264  TRP  A   382  .  ?        ?     ?     ?     ?  
247  1  1  A  265  ILE  A   383  .  ?        ?     ?     ?     ?  
248  1  1  A  266  THR  A   384  .  ?        ?     ?     ?     ?  
249  1  1  A  267  ALA  A   385  .  ?        ?     ?     ?     ?  
250  1  1  A  268  ASN  A   386  .  ?        ?     ?     ?     ?  
251  1  1  A  269  SER  A   387  .  ?        ?     ?     ?     ?  
252  1  1  A  270  SER  A   388  .  ?        ?     ?     ?     ?  
253  1  2  B    .  7HD  A  1389  .  ?        4     6    10     1  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.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  ?             ?       ?  ?         1  135.300   5  0.16   7  0.24  molprobity  1.000  
  2    2  ?        -102.7   124.8  Favored   2  133.970   5  0.16   7  0.19  molprobity  1.000  
  3    3  m95      -112.2   153.4  Favored  10  125.080  16  0.20  23  0.32  molprobity  1.000  
  4    4  ?        -129.2   162.9  Favored   5  130.290   5  0.14   7  0.43  molprobity  1.000  
  5    5  tp        -61.6   -34.7  Favored  11  122.500   8  0.23  11  0.36  molprobity  1.000  
  6    6  tp10      -79.5    36.3  Allowed   6  137.250   9  0.30  12  0.36  molprobity  1.000  
  7    7  m-20     -116.8    -7.9  Favored   4  131.230   8  0.14  11  0.44  molprobity  1.000  
  8    8  m-85     -128.6   136.7  Favored   9  114.350  12  0.36  16  0.25  molprobity  1.000  
  9    9  mt-10     -92.9   122.4  Favored   6  114.180   9  0.18  12  0.41  molprobity  1.000  
 10   10  mt        -84.3   132.0  Favored  11  111.320   8  0.18  11  0.38  molprobity  1.000  
 11   11  ?        -123.0  -141.1  Favored   3  105.160   4  0.20   5  0.54  molprobity  1.000  
 12   12  ttt-85    -62.1   130.2  Favored  13  101.990  11  0.15  15  0.64  molprobity  1.000  
 13   13  Cg_endo   -67.5   123.3  Favored   7  111.610   8  0.14  11  0.17  molprobity  1.000  
 14   14  mt        -93.5   -33.0  Favored  11  107.650   8  0.17  11  0.31  molprobity  1.000  
 15   15  ?        -158.0   142.9  Favored   3  127.520   4  0.20   5  0.33  molprobity  1.000  
 16   16  ?        -116.6   170.6  Favored   2  147.070   5  0.15   7  0.23  molprobity  1.000  
 17   17  ?          96.8   171.1  Favored   3  155.320   4  0.16   5  0.59  molprobity  1.000  
 18   18  ?          61.7    41.0  Favored   2  150.530   5  0.19   7  0.48  molprobity  1.000  
 19   19  m-30       52.5    45.5  Favored   9  162.200  12  0.35  16  0.28  molprobity  1.000  
 20   20  ?         176.4   157.4  Favored   3  147.170   4  0.35   5  0.65  molprobity  1.000  
 21   21  m-80     -142.9   141.3  Favored   6  142.640   8  0.30  11  0.22  molprobity  1.000  
 22   22  p        -104.9   133.3  Favored   9  121.100   7  0.23  10  0.41  molprobity  1.000  
 23   23  m-85     -119.2   145.4  Favored   9  124.350  13  0.27  18  0.44  molprobity  1.000  
 24   24  tp        -68.8   121.2  Favored  11   93.820   8  0.20  11  0.59  molprobity  1.000  
 25   25  ?        -124.1   140.1  Favored   5   96.480   5  0.22   7  0.50  molprobity  1.000  
 26   26  ttp180   -117.9   119.0  Favored  13   98.970  11  0.20  14  0.38  molprobity  1.000  
 27   27  tm-20     -63.5   149.2  Favored   6  113.480   9  0.34  12  0.79  molprobity  1.000  
 28   28  mttp      -83.6   -38.4  Favored  13  119.510   9  0.30  11  1.18  molprobity  1.000  
 29   29  pm0       -93.2     1.7  Favored   8  129.020   9  0.37  12  0.49  molprobity  1.000  
 30   30  p        -145.3     1.9  Allowed   5  115.950   6  0.25   8  0.38  molprobity  1.000  
 31   31  mttt       62.6    30.4  Favored  13  104.210   9  0.27  11  0.51  molprobity  1.000  
 32   32  t80       -80.4   125.5  Favored   9   93.400  12  0.33  16  0.34  molprobity  1.000  
 33   33  mm        -85.3   125.8  Favored  11   92.030   8  0.24  11  0.62  molprobity  1.000  
 34   34  pp       -151.3   166.1  Favored  11   94.640   8  0.27  11  0.34  molprobity  1.000  
 35   35  ?        -100.8   131.5  Favored   5  101.570   5  0.19   7  0.32  molprobity  1.000  
 36   36  tp       -112.8    92.4  Favored  11  109.960   8  0.21  11  0.34  molprobity  1.000  
 37   37  ttmm      -66.2   118.4  Favored  13  127.250   9  0.23  11  0.32  molprobity  1.000  
 38   38  t        -116.3   104.7  Favored   9  128.120   7  0.22  10  0.58  molprobity  1.000  
 39   39  mt       -100.7   148.4  Favored  11  135.770   8  0.23  11  0.22  molprobity  1.000  
 40   40  ?        -105.7   131.4  Favored   2  152.950   5  0.17   7  0.29  molprobity  1.000  
 41   41  ?         -63.0   -34.5  Favored   2  156.450   5  0.16   7  0.31  molprobity  1.000  
 42   42  ?         -56.3   -51.1  Favored   5  159.460   5  0.15   7  0.26  molprobity  1.000  
 43   43  ?         -73.7   -17.0  Favored   2  163.790   5  0.16   7  0.20  molprobity  1.000  
 44   44  ?         -92.8   -25.2  Favored   2  164.480   5  0.16   7  0.19  molprobity  1.000  
 45   45  ?         -78.2   -31.6  Favored   2  167.510   5  0.16   7  0.36  molprobity  1.000  
 46   46  ?         -71.2   -28.1  Favored   2  170.670   5  0.17   7  0.40  molprobity  1.000  
 47   47  ?         -84.2   -31.0  Favored   5  170.430   5  0.18   7  0.44  molprobity  1.000  
 48   48  ?          54.9    38.3  Favored   3  170.240   4  0.21   5  0.43  molprobity  1.000  
 49   49  m        -129.3    49.4  Allowed   9  156.900   7  0.15  10  0.50  molprobity  1.000  
 50   50  ?         -64.7   -20.4  Favored   2  153.960   5  0.17   7  0.79  molprobity  1.000  
 51   51  ?         -36.2   -70.9  Allowed   2  170.640   5  0.18   7  0.62  molprobity  1.000  
 52   52  ?         -74.6   -25.2  Favored   2  189.110   5  0.14   7  0.19  molprobity  1.000  
 53   53  tp        -63.6   -51.8  Favored  11  152.520   8  0.23  11  0.26  molprobity  1.000  
 54   54  ?         -60.2   -31.9  Favored   2  158.680   5  0.19   7  0.37  molprobity  1.000  
 55   55  ?         -72.8   -48.5  Favored   2  157.810   5  0.13   7  0.26  molprobity  1.000  
 56   56  ?         -56.2   -39.6  Favored   2  151.180   5  0.21   7  0.32  molprobity  1.000  
 57   57  t         -61.6   -49.0  Favored   9  134.340   7  0.15  10  0.38  molprobity  1.000  
 58   58  ?         -64.1   -38.8  Favored   2  142.480   5  0.15   7  0.24  molprobity  1.000  
 59   59  mt        -59.8   -50.5  Favored  11  142.320   8  0.19  11  0.54  molprobity  1.000  
 60   60  tt0       -86.7   -19.4  Favored   8  128.880   9  0.21  12  0.46  molprobity  1.000  
 61   61  t         -62.3   -46.6  Favored   5  132.520   6  0.21   8  0.31  molprobity  1.000  
 62   62  m80      -106.0    12.8  Favored   7  140.870  11  0.15  15  0.29  molprobity  1.000  
 63   63  mt        -77.9   116.6  Favored  11  125.290   8  0.22  11  0.56  molprobity  1.000  
 64   64  ?        -118.7    85.9  Favored   6  116.130   7  0.19   9  0.33  molprobity  1.000  
 65   65  t-80     -139.0   140.6  Favored   7   98.980  11  0.18  16  0.52  molprobity  1.000  
 66   66  Cg_endo   -65.8   -11.9  Favored   7  100.550   8  0.20  11  0.32  molprobity  1.000  
 67   67  m120     -109.4    13.7  Favored   6   96.110   8  0.19  11  0.35  molprobity  1.000  
 68   68  mt       -121.3   126.2  Favored  11   90.750   8  0.20  11  0.48  molprobity  1.000  
 69   69  tp        -60.1   116.9  Favored  11   89.840   8  0.24  11  0.31  molprobity  1.000  
 70   70  ttt180    -73.7   134.4  Favored  13  112.010  11  0.17  14  0.32  molprobity  1.000  
 71   71  tp        -98.1   124.1  Favored  11  103.640   8  0.18  11  0.49  molprobity  1.000  
 72   72  m-85      -83.9   -48.5  Favored   9  100.070  13  0.22  18  0.29  molprobity  1.000  
 73   73  ?        -179.6   169.9  Favored   3  102.590   4  0.30   5  0.26  molprobity  1.000  
 74   74  ?        -124.9   159.9  Favored   2  110.380   5  0.24   7  0.52  molprobity  1.000  
 75   75  p90      -170.6   163.8  Favored   9  124.290  12  0.41  16  0.42  molprobity  1.000  
 76   76  p80      -155.1   157.7  Favored   7  131.670  11  0.15  15  0.31  molprobity  1.000  
 77   77  p-10     -100.6  -148.6  Allowed   4  142.020   8  0.20  11  0.49  molprobity  1.000  
 78   78  ?         -74.1   -58.3  Favored   5  147.670   5  0.19   7  0.29  molprobity  1.000  
 79   79  t         -88.3   -15.0  Favored   7  146.800   7  0.33  10  0.87  molprobity  1.000  
 80   80  ptp85    -143.5   162.3  Favored  13  146.010  11  0.21  14  0.36  molprobity  1.000  
 81   81  t        -125.5   129.2  Favored   9  129.090   7  0.16  10  0.44  molprobity  1.000  
 82   82  m-85     -102.7   133.9  Favored   9  128.150  13  0.28  18  0.39  molprobity  1.000  
 83   83  mp       -112.1   114.8  Favored  11  112.230   8  0.19  11  0.67  molprobity  1.000  
 84   84  mt        -86.1   101.1  Favored  11  102.030   8  0.16  11  0.42  molprobity  1.000  
 85   85  mt       -109.2   155.4  Favored  11   96.540   8  0.15  11  0.59  molprobity  1.000  
 86   86  tt0       -58.6   142.8  Favored   6   93.780   9  0.19  12  0.30  molprobity  1.000  
 87   87  t80       -91.5   126.4  Favored   9   93.680  13  0.24  18  0.30  molprobity  1.000  
 88   88  ?         -93.7   109.9  Favored   5   97.150   5  0.15   8  0.68  molprobity  1.000  
 89   89  Cg_exo    -60.9   -41.5  Favored   7   97.440   8  0.19  11  0.48  molprobity  1.000  
 90   90  mp        -97.2     2.4  Favored  11   98.960   8  0.22  11  0.59  molprobity  1.000  
 91   91  ?          95.4  -148.5  Favored   3   92.840   4  0.15   5  0.58  molprobity  1.000  
 92   92  p        -107.1   155.4  Favored   7   87.490   7  0.32  10  0.61  molprobity  1.000  
 93   93  t         -69.2   -26.3  Favored   9   83.640   7  0.25  10  0.52  molprobity  1.000  
 94   94  t80       -58.8   -59.6  Favored   9   98.080  13  0.28  18  0.33  molprobity  1.000  
 95   95  mmt180    -65.0   -34.0  Favored  13  117.030  11  0.30  14  0.47  molprobity  1.000  
 96   96  tp10      -73.3   -26.5  Favored   6  110.890   9  0.32  12  0.37  molprobity  1.000  
 97   97  tp        -74.7   -34.3  Favored  11   91.630   8  0.18  11  0.89  molprobity  1.000  
 98   98  tp-100    -63.0   -34.0  Favored   8  111.880   9  0.24  12  0.49  molprobity  1.000  
 99   99  mttm      -91.2   -37.8  Favored  13  113.300   9  0.39  11  0.61  molprobity  1.000  
100  100  mp        -86.9    -5.8  Favored  11   99.310   8  0.21  11  0.66  molprobity  1.000  
101  101  t          66.5   -48.8  Allowed   5   98.170   6  0.33   8  0.39  molprobity  1.000  
102  102  mttp     -147.4   158.1  Favored  13  103.100   9  0.29  11  0.38  molprobity  1.000  
103  103  m-30     -103.6   136.8  Favored   9   86.930  12  0.37  16  0.32  molprobity  1.000  
104  104  p30       -71.3   160.5  Favored   4  102.130   8  0.14  11  0.46  molprobity  1.000  
105  105  mt-10     -59.6   -21.3  Favored   6   95.470   9  0.28  12  0.59  molprobity  1.000  
106  106  mp0       -75.5   -46.6  Favored   8  105.290   9  0.22  12  0.27  molprobity  1.000  
107  107  ttm180    -66.2   -34.7  Favored  13  100.150  11  0.16  14  0.36  molprobity  1.000  
108  108  m         -67.9   -55.3  Favored   7   90.480   7  0.16  10  0.57  molprobity  1.000  
109  109  ?         -63.6   -29.6  Favored   5   92.720   5  0.22   7  0.27  molprobity  1.000  
110  110  m         -70.0   -42.5  Favored   7   93.900   7  0.19  10  0.66  molprobity  1.000  
111  111  m-30      -62.6   -37.8  Favored   9   87.460  13  0.25  18  0.34  molprobity  1.000  
112  112  mm        -66.9   -44.9  Favored  11   84.570   8  0.20  11  0.47  molprobity  1.000  
113  113  m         -59.3   -42.7  Favored   7   94.390   7  0.23  10  0.46  molprobity  1.000  
114  114  mt-10     -64.8   -41.6  Favored   6   94.040   9  0.17  12  0.33  molprobity  1.000  
115  115  mt        -60.2   -45.7  Favored  11   85.710   8  0.17  11  0.45  molprobity  1.000  
116  116  ?         -60.9   -45.3  Favored   5   90.920   5  0.18   7  0.19  molprobity  1.000  
117  117  m-20      -61.4   -40.2  Favored   6   94.840   8  0.26  11  0.26  molprobity  1.000  
118  118  ?         -69.4   -37.2  Favored   5   95.000   5  0.17   7  0.27  molprobity  1.000  
119  119  mt        -74.5   -41.8  Favored  11   98.070   8  0.18  11  0.16  molprobity  1.000  
120  120  t         -60.9   -27.5  Favored   5  105.690   6  0.22   8  0.37  molprobity  1.000  
121  121  t80       -73.5   -44.8  Favored   9  109.570  13  0.22  18  0.18  molprobity  1.000  
122  122  m         -68.6   -35.4  Favored   5  108.920   6  0.14   8  0.30  molprobity  1.000  
123  123  m80       -73.2   -23.2  Favored   7  112.650  11  0.21  15  0.25  molprobity  1.000  
124  124  p         -71.7   -20.2  Favored   5  118.230   6  0.19   8  0.34  molprobity  1.000  
125  125  mttm     -109.4    15.7  Favored  13  124.870   9  0.25  11  0.31  molprobity  1.000  
126  126  mtt180     56.1    29.1  Favored  13  140.130  11  0.19  14  0.31  molprobity  1.000  
127  127  t         -94.9   133.5  Favored   9  122.810   7  0.23  10  0.47  molprobity  1.000  
128  128  mp       -122.1   119.8  Favored  11  128.040   8  0.26  11  0.47  molprobity  1.000  
129  129  t60       -83.0   -21.4  Favored   7  120.590  11  0.17  15  0.32  molprobity  1.000  
130  130  mtp85      60.1   -65.5  OUTLIER  13  132.350  11  0.21  14  0.40  molprobity  1.000  
131  131  t0        -90.6    70.3  Favored   4  116.110   8  0.14  11  0.32  molprobity  1.000  
132  132  mt        -99.2   111.7  Favored  11   97.910   8  0.22  11  0.58  molprobity  1.000  
133  133  pttt     -147.6   160.8  Favored  13   96.670   9  0.30  12  0.53  molprobity  1.000  
134  134  Cg_exo    -55.9   -23.7  Favored   7   89.390   8  0.23  11  0.40  molprobity  1.000  
135  135  mp0       -66.7   -30.6  Favored   6  100.750   9  0.23  12  0.28  molprobity  1.000  
136  136  m-80     -106.7    20.4  Favored   6   99.190   8  0.20  11  0.30  molprobity  1.000  
137  137  mt       -102.3   128.3  Favored  11   86.270   8  0.20  11  0.61  molprobity  1.000  
138  138  mt       -123.0   170.7  Favored  11   89.650   8  0.16  11  0.26  molprobity  1.000  
139  139  mt       -125.2   132.0  Favored  11   90.770   8  0.16  11  0.24  molprobity  1.000  
140  140  ?         -81.9  -175.9  Favored   3  100.740   4  0.22   5  0.32  molprobity  1.000  
141  141  t         -60.3   -34.3  Favored   5  114.920   6  0.29   8  0.21  molprobity  1.000  
142  142  ?         -84.8    -3.7  Favored   5   99.710   5  0.09   7  0.25  molprobity  1.000  
143  143  ?          85.4    23.3  Favored   3   98.030   4  0.21   5  0.25  molprobity  1.000  
144  144  pm0       -82.3   146.4  Favored   6   95.580   9  0.25  12  0.36  molprobity  1.000  
145  145  tt        -69.4   138.2  Favored  11   91.620   8  0.19  11  0.62  molprobity  1.000  
146  146  mttm     -139.8   115.1  Favored  13   91.730   9  0.23  11  0.29  molprobity  1.000  
147  147  mt        -71.0   131.5  Favored  11   92.320   8  0.22  11  0.43  molprobity  1.000  
148  148  ?         -95.9  -104.9  Allowed   5  111.070   5  0.12   7  0.57  molprobity  1.000  
149  149  p30       -82.2   148.8  Favored   4  126.280   8  0.19  11  0.42  molprobity  1.000  
150  150  m-85     -122.8    23.1  Favored   9  128.570  12  0.26  16  0.15  molprobity  1.000  
151  151  ?         -53.6   -36.5  Favored   3  142.160   4  0.22   5  0.33  molprobity  1.000  
152  152  m0       -107.0    61.0  Allowed  10  154.120  16  0.18  23  0.17  molprobity  1.000  
153  153  t        -143.4   159.0  Favored   5  136.940   6  0.19   8  0.58  molprobity  1.000  
154  154  t             ?       ?  ?         9  135.010   6  0.10   7  0.47  molprobity  1.000  
155  155  ?             ?       ?  ?         2  122.510   4  0.23   5  0.24  molprobity  1.000  
156  156  p         -88.9   121.1  Favored   7  117.330   7  0.26  10  0.65  molprobity  1.000  
157  157  tp        -87.2   -36.6  Favored  11   94.950   8  0.20  11  0.81  molprobity  1.000  
158  158  m-20      -49.1   -25.2  Favored   4   89.800   8  0.25  11  0.94  molprobity  1.000  
159  159  m-85     -111.8     3.7  Favored   9   88.000  13  0.30  18  0.30  molprobity  1.000  
160  160  mt        -91.7   133.6  Favored  11   94.770   8  0.22  12  0.48  molprobity  1.000  
161  161  Cg_exo    -61.1   162.0  Favored   7   89.680   8  0.29  12  0.47  molprobity  1.000  
162  162  Cg_exo    -59.3   -46.5  Favored   7   97.030   8  0.17  11  0.23  molprobity  1.000  
163  163  pm0       -62.1   -34.0  Favored   6  100.610   9  0.16  12  0.30  molprobity  1.000  
164  164  ttm       -75.0   -41.3  Favored   9  109.260   8  0.24  10  0.45  molprobity  1.000  
165  165  pt        -75.0   -20.0  Favored  11  103.640   8  0.15  11  0.54  molprobity  1.000  
166  166  mt-10     -93.9   -32.1  Favored   6  116.480   9  0.22  12  0.44  molprobity  1.000  
167  167  ?         133.6   -28.1  Favored   3  124.820   4  0.24   5  0.51  molprobity  1.000  
168  168  mtt180    -56.9   148.0  Favored  13  128.760  11  0.22  14  0.62  molprobity  1.000  
169  169  tpp       -89.2   132.3  Favored   9  153.730   8  0.85  10  1.71  molprobity  1.000  
170  170  OUTLIER   -63.4   171.6  Favored   7  136.930  11  0.39  15  0.67  molprobity  1.000  
171  171  p30      -137.7  -165.8  Allowed   4  126.970   8  0.28  11  0.76  molprobity  1.000  
172  172  pm0       -74.3    -4.8  Favored   6  128.000   9  0.22  12  0.37  molprobity  1.000  
173  173  mmmt      -76.5    -7.9  Favored  13  106.970   9  0.21  11  0.22  molprobity  1.000  
174  174  m         -70.3   -13.6  Favored   9   97.810   7  0.35  10  0.55  molprobity  1.000  
175  175  m-20      -89.4   -29.5  Favored   4   93.830   8  0.24  11  0.33  molprobity  1.000  
176  176  mm?       -60.7   -41.0  Favored  11   91.550   8  0.20  11  0.52  molprobity  1.000  
177  177  t-105     -60.7   -54.1  Favored  10   83.520  16  0.20  23  0.26  molprobity  1.000  
178  178  m         -58.1   -35.8  Favored   5   84.110   6  0.18   8  0.21  molprobity  1.000  
179  179  tp        -63.8   -41.4  Favored  11   84.880   8  0.19  11  0.35  molprobity  1.000  
180  180  ?         -65.2   -39.6  Favored   3   86.940   4  0.19   5  0.34  molprobity  1.000  
181  181  t         -65.0   -39.2  Favored   9   85.410   7  0.22  10  0.43  molprobity  1.000  
182  182  mt        -67.2   -43.0  Favored  11   77.040   8  0.23  11  0.45  molprobity  1.000  
183  183  t         -60.0   -42.9  Favored   5   83.320   6  0.25   8  0.35  molprobity  1.000  
184  184  t80       -59.7   -51.3  Favored   9   79.680  13  0.25  18  0.37  molprobity  1.000  
185  185  tt0       -62.0   -36.9  Favored   6   83.230   9  0.24  12  0.25  molprobity  1.000  
186  186  m-30      -62.3   -35.8  Favored   9   82.610  12  0.40  16  0.22  molprobity  1.000  
187  187  mt        -87.8   -32.8  Favored  11   82.260   8  0.17  11  0.29  molprobity  1.000  
188  188  t         -99.6   -37.6  Favored   9   80.580   7  0.30  10  0.56  molprobity  1.000  
189  189  ?         107.5   -14.0  Favored   3   87.100   4  0.17   5  0.55  molprobity  1.000  
190  190  mtmt     -133.4   149.6  Favored  13   91.980   9  0.30  12  0.57  molprobity  1.000  
191  191  Cg_exo    -64.8   149.9  Favored   7   80.500   8  0.17  12  0.59  molprobity  1.000  
192  192  Cg_exo    -61.8   -27.3  Favored   7   78.840   8  0.28  11  0.38  molprobity  1.000  
193  193  m-85     -113.1     1.9  Favored   9   77.720  12  0.45  16  0.29  molprobity  1.000  
194  194  tt0       -49.6   124.0  Favored   6   95.900   9  0.25  12  0.39  molprobity  1.000  
195  195  ?        -127.4  -169.4  Favored   5   98.370   5  0.37   7  0.38  molprobity  1.000  
196  196  m-20     -105.8   -18.1  Favored   6  100.770   8  0.21  11  0.25  molprobity  1.000  
197  197  p        -131.2   155.1  Favored   7   94.420   7  0.32  10  0.80  molprobity  1.000  
198  198  t80       -58.3   -50.7  Favored   9   99.030  13  0.26  18  0.48  molprobity  1.000  
199  199  mp0       -60.6   -28.5  Favored   8   95.050   9  0.20  12  0.37  molprobity  1.000  
200  200  tt0       -85.7   -42.1  Favored   6  106.670   9  0.41  12  0.28  molprobity  1.000  
201  201  m         -56.8   -42.7  Favored   7   90.100   7  0.24  10  0.79  molprobity  1.000  
202  202  t80       -55.5   -39.2  Favored   9  100.450  13  0.25  18  0.25  molprobity  1.000  
203  203  mtpt      -70.8   -48.6  Favored  13   99.670   9  0.23  11  0.25  molprobity  1.000  
204  204  ttm-85    -58.4   -40.5  Favored  13   97.780  11  0.22  14  0.29  molprobity  1.000  
205  205  mt        -67.0   -34.7  Favored  11   86.360   8  0.19  11  0.46  molprobity  1.000  
206  206  t         -73.3   -42.8  Favored   5   95.160   6  0.23   8  0.22  molprobity  1.000  
207  207  mtt-85    -87.5    -3.2  Favored  13  101.080  11  0.31  14  0.73  molprobity  1.000  
208  208  t          52.0    71.2  Allowed   9   90.820   7  0.18  10  0.44  molprobity  1.000  
209  209  mt-10    -117.7   107.5  Favored   6   90.260   9  0.25  12  0.36  molprobity  1.000  
210  210  p90      -148.9   153.3  Favored   9   97.360  12  0.34  16  0.18  molprobity  1.000  
211  211  p        -132.3   143.2  Favored   7   94.280   7  0.25  10  0.57  molprobity  1.000  
212  212  m-85      -87.4   129.4  Favored   9   95.980  12  0.35  17  0.38  molprobity  1.000  
213  213  Cg_endo   -63.8   153.9  Favored   7  100.720   8  0.20  11  0.36  molprobity  1.000  
214  214  m-20      -68.6   -12.1  Favored   4  111.410   8  0.18  11  0.53  molprobity  1.000  
215  215  p90       -90.2   -13.4  Favored   9   99.000  12  0.26  16  0.25  molprobity  1.000  
216  216  t         -72.7   121.7  Favored   9   99.270   7  0.20  10  0.44  molprobity  1.000  
217  217  p         -67.1   172.3  Favored   7  105.780   7  0.18  10  0.73  molprobity  1.000  
218  218  tp10      -70.4   -44.0  Favored   6  120.150   9  0.15  12  0.34  molprobity  1.000  
219  219  ?         -63.0   -36.0  Favored   3   99.380   4  0.26   5  0.60  molprobity  1.000  
220  220  ?         -66.3   -52.5  Favored   5   96.950   5  0.14   7  0.33  molprobity  1.000  
221  221  mtt180    -52.4   -34.2  Favored  13   93.720  11  0.16  14  0.36  molprobity  1.000  
222  222  t70       -64.8   -51.6  Favored   4   96.070   8  0.17  11  0.27  molprobity  1.000  
223  223  tp        -61.6   -37.0  Favored  11   87.950   8  0.19  11  0.42  molprobity  1.000  
224  224  mt        -69.9   -34.7  Favored  11   90.280   8  0.21  11  0.37  molprobity  1.000  
225  225  m         -71.8   -26.5  Favored   5   90.990   6  0.19   8  0.22  molprobity  1.000  
226  226  mtt-85    -80.9   -29.2  Favored  13   99.180  11  0.18  14  0.34  molprobity  1.000  
227  227  mp        -87.3   -37.2  Favored  11   92.590   8  0.19  11  0.56  molprobity  1.000  
228  228  mt       -100.8    67.1  Allowed  11   89.230   8  0.22  11  0.66  molprobity  1.000  
229  229  pttt     -130.4   159.8  Favored  13  107.820   9  0.62  11  0.57  molprobity  1.000  
230  230  t-80      -59.1   -52.2  Favored   7  115.020  11  0.21  15  0.30  molprobity  1.000  
231  231  t-20      -76.9   115.6  Favored   6  107.710   8  0.25  12  0.48  molprobity  1.000  
232  232  Cg_exo    -63.6   -34.7  Favored   7  100.360   8  0.18  11  0.41  molprobity  1.000  
233  233  m         -61.9   -35.5  Favored   5  113.330   6  0.24   8  0.45  molprobity  1.000  
234  234  pt20      -93.2     9.2  Favored   8  122.290   9  0.27  12  0.33  molprobity  1.000  
235  235  mtt180    -71.9   144.7  Favored  13  103.110  11  0.24  15  0.44  molprobity  1.000  
236  236  Cg_exo    -63.9   149.2  Favored   7  106.970   8  0.18  11  0.29  molprobity  1.000  
237  237  tpp       -77.8   157.2  Favored   9  126.640   8  0.39  10  1.10  molprobity  1.000  
238  238  mt        -56.9   -24.8  Favored  11  112.580   8  0.18  11  0.49  molprobity  1.000  
239  239  ?         -61.1   -52.7  Favored   2  112.590   5  0.14   7  0.33  molprobity  1.000  
240  240  mt-10     -63.7   -27.1  Favored   6  116.100   9  0.20  12  0.34  molprobity  1.000  
241  241  t         -67.9   -54.0  Favored   9  106.200   7  0.16  10  0.53  molprobity  1.000  
242  242  mt        -60.5   -33.6  Favored  11  100.210   8  0.18  11  0.27  molprobity  1.000  
243  243  pt-20     -93.7    22.7  Favored   6  109.410   9  0.20  12  0.36  molprobity  1.000  
244  244  t-80      -77.0   134.5  Favored   7   98.010  11  0.14  16  0.58  molprobity  1.000  
245  245  Cg_exo    -46.3   -52.4  Favored   7  101.950   8  0.18  11  0.28  molprobity  1.000  
246  246  t90       -64.7   -35.1  Favored  10   97.630  16  0.14  23  0.15  molprobity  1.000  
247  247  mm        -65.7   -49.0  Favored  11   97.510   8  0.17  11  0.56  molprobity  1.000  
248  248  m         -62.9   -39.0  Favored   7  105.790   7  0.32  10  0.49  molprobity  1.000  
249  249  ?         -73.2   -12.7  Favored   5   99.280   5  0.14   7  0.44  molprobity  1.000  
250  250  m-80     -129.9   -19.5  Favored   6   98.150   8  0.19  11  0.51  molprobity  1.000  
251  251  t         -72.5   162.1  Favored   5  104.180   6  0.21   8  0.19  molprobity  1.000  
252  252  p             ?       ?  ?         5  109.550   5  0.15   5  0.15  molprobity  1.000  
253  253  ?             ?       ?  ?        17  119.880  27  1.96  22  2.56  mogul       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   14  HD21   1  0.41  2.01  
 2   20  HA3    2  0.57  1.86  
 3   24  HB2    1  0.41  2.01  
 4   27  OE2    3  0.59  2.34  
 5   27  OE2    4  0.41  2.53  
 6   29  N      4  0.41  2.53  
 7   30  N      3  0.59  2.34  
 8   32  HD2    5  0.50  1.76  
 9   34  HD23   5  0.50  1.76  
10   39  HD23   2  0.57  1.86  
11   40  HA     6  0.41  2.02  
12   41  O      7  0.41  2.50  
13   44  O      8  0.44  2.50  
14   45  N      7  0.41  2.50  
15   48  N      8  0.44  2.50  
16   52  O      9  0.46  2.35  
17   56  N      9  0.46  2.35  
18   59  O     10  0.43  2.19  
19   63  HG    10  0.43  2.19  
20   65  CG    11  0.45  2.51  
21   66  HD2   11  0.45  2.51  
22   67  HB2   12  0.52  1.92  
23   77  OD1   13  0.43  2.18  
24   80  HG2   13  0.43  2.18  
25   80  HA     6  0.41  2.02  
26   97  HD21  14  0.41  2.03  
27  118  HB2   12  0.52  1.92  
28  119  HD21  15  0.46  1.97  
29  129  ND1   16  0.55  2.39  
30  129  O     16  0.55  2.39  
31  129  O     17  0.50  2.43  
32  129  CD2   18  0.48  2.48  
33  130  HD3   19  0.54  1.88  
34  131  N     17  0.50  2.43  
35  132  HG12  18  0.48  2.48  
36  132  HD11  15  0.46  1.97  
37  137  HD22  20  0.50  1.93  
38  145  HD21  20  0.50  1.93  
39  153  HA    19  0.54  1.88  
40  160  HA    21  0.43  1.78  
41  161  HG2   22  0.57  1.86  
42  161  HD3   21  0.43  1.78  
43  164  HG3   23  0.59  2.38  
44  166  OE1   24  0.64  2.31  
45  168  NH2   24  0.64  2.31  
46  169  SD    25  0.40  2.94  
47  170  HB3   26  0.71  1.72  
48  170  CE1   23  0.59  2.38  
49  170  N     25  0.40  2.94  
50  174  HG11  26  0.71  1.72  
51  174  HB    22  0.57  1.86  
52  184  CG    27  0.48  2.48  
53  185  HG2   14  0.41  2.03  
54  191  HA    28  0.41  1.92  
55  192  HG3   27  0.48  2.48  
56  192  HD3   28  0.41  1.92  
57  195  HB3   29  0.46  2.16  
58  195  HB1   30  0.44  2.37  
59  200  CD    30  0.44  2.37  
60  201  OG1   29  0.46  2.16  
61  203  O     31  0.42  2.18  
62  207  HB2   32  0.51  1.92  
63  207  HH11  33  0.43  1.83  
64  207  HG2   33  0.43  1.83  
65  207  HG3   31  0.42  2.18  
66  209  HG3   32  0.51  1.92  
67  212  HE1   34  0.45  1.81  
68  217  O     35  0.43  2.18  
69  221  HG3   35  0.43  2.18  
70  224  HD12  34  0.45  1.81  
71  229  HE3   36  0.59  1.84  
72  229  NZ    37  0.50  2.37  
73  234  HG3   36  0.59  1.84  
74  234  O     37  0.50  2.37  
75  237  SD    38  0.63  2.71  
76  238  N     38  0.63  2.71  
77  253  H07   39  0.48  2.50  
78  253  CL    39  0.48  2.50  
79  253  CL    40  0.45  3.02  
80  253  C07   40  0.45  3.02  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  253  C01  C02  1.53  1.48    35  0.01   3.77  0.02  
2  253  C09  C08  1.43  1.49  1761  0.01  -5.62  0.00  
3  253  C12  C10  1.41  1.39    84  0.01   2.66  0.00  
4  253  C12  N13  1.36  1.31   918  0.02   2.80  0.00  
5  253  C14  N15  1.40  1.34    62  0.02   2.93  0.02  
6  253  C17  C16  1.41  1.48   198  0.02  -3.01  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
 1  253  C03  C04  N28  107.97  111.51  77  1.48  -2.40  1.04  
 2  253  C04  C05  N06  109.19  112.13  42  1.44  -2.04  0.45  
 3  253  C05  N06  C07  125.61  129.19  21  1.27  -2.81  1.49  
 4  253  C07  N06  N27  108.65  111.56  27  0.87  -3.34  0.66  
 5  253  C12  N13  C14  120.43  116.69  24  1.00   3.72  1.58  
 6  253  C17  C16  N24  127.20  123.67  58  1.28   2.77  1.04  
 7  253  C20  N19  N21  125.92  120.50  21  1.17   4.61  3.60  
 8  253  C22  N21  N19  109.10  104.45  37  0.82   5.68  2.63  
 9  253  C23  C22  N21  124.92  119.78  32  2.16   2.38  0.24  
10  253  C26  N27  N06  108.83  104.23  27  1.04   4.42  1.19  
#
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal        1
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id    253
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1         C03
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2         C04
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3         C05
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4         N06
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval         -136.82
_pdbx_vrpt_instance_mogul_torsion_outliers.mean           75.57
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs         40
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev          31.83
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff        21.83
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density  0.00
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.838  0.193  -0.630  
  2    2   5  0.935  0.083  -1.526  
  3    3  14  0.921  0.145  -0.964  
  4    4   5  0.936  0.238   0.194  
  5    5   8  0.919  0.250  -0.156  
  6    6   9  0.898  0.190  -0.582  
  7    7   8  0.899  0.208  -0.090  
  8    8  11  0.921  0.326   0.543  
  9    9   9  0.840  0.277   0.181  
 10   10   8  0.948  0.244  -0.162  
 11   11   4  0.983  0.208   0.050  
 12   12  11  0.886  0.260  -0.100  
 13   13   7  0.934  0.205  -0.124  
 14   14   8  0.931  0.307   0.344  
 15   15   4  0.894  0.258   0.499  
 16   16   5  0.809  0.359   0.567  
 17   17   4  0.727  0.362   1.433  
 18   18   5  0.909  0.124  -1.266  
 19   19  11  0.705  0.403   1.217  
 20   20   4  0.657  0.284   0.732  
 21   21   8  0.784  0.344   1.370  
 22   22   7  0.927  0.387   1.215  
 23   23  12  0.852  0.481   2.149  
 24   24   8  0.971  0.355   0.764  
 25   25   5  0.973  0.216  -0.010  
 26   26  11  0.895  0.149  -0.977  
 27   27   9  0.888  0.277   0.181  
 28   28   9  0.888  0.275  -0.088  
 29   29   9  0.878  0.311   0.660  
 30   30   6  0.946  0.342   1.453  
 31   31   9  0.848  0.361   0.583  
 32   32  11  0.950  0.282   0.157  
 33   33   8  0.952  0.321   0.534  
 34   34   8  0.964  0.300   0.282  
 35   35   5  0.965  0.259   0.390  
 36   36   8  0.930  0.329   0.536  
 37   37   9  0.885  0.334   0.372  
 38   38   7  0.883  0.324   0.653  
 39   39   8  0.853  0.454   1.632  
 40   40   5  0.684  0.378   0.998  
 41   41   5  0.879  0.125  -1.258  
 42   42   5  0.950  0.257   0.371  
 43   43   5  0.842  0.375   1.273  
 44   44   5  0.906  0.154  -0.997  
 45   45   5  0.857  0.197  -0.521  
 46   46   5  0.865  0.187  -0.775  
 47   47   5  0.811  0.245   0.260  
 48   48   4  0.722  0.187  -0.138  
 49   49   7  0.896  0.175  -0.678  
 50   50   5  0.922  0.180  -0.670  
 51   51   5  0.826  0.220  -0.052  
 52   52   5  0.885  0.258   0.151  
 53   53   8  0.934  0.154  -0.997  
 54   54   5  0.944  0.162  -0.874  
 55   55   5  0.841  0.158  -0.906  
 56   56   5  0.923  0.143  -0.994  
 57   57   7  0.940  0.202  -0.437  
 58   58   5  0.972  0.141  -1.011  
 59   59   8  0.973  0.279   0.155  
 60   60   9  0.946  0.354   1.072  
 61   61   6  0.872  0.162  -0.435  
 62   62  10  0.844  0.212  -0.132  
 63   63   8  0.960  0.355   0.764  
 64   64   7  0.912  0.213  -0.472  
 65   65  10  0.917  0.178  -0.472  
 66   66   7  0.949  0.195  -0.224  
 67   67   8  0.940  0.233   0.197  
 68   68   8  0.959  0.246  -0.144  
 69   69   8  0.983  0.280   0.107  
 70   70  11  0.927  0.199  -0.582  
 71   71   8  0.902  0.324   0.493  
 72   72  12  0.904  0.262   0.115  
 73   73   4  0.923  0.251   0.436  
 74   74   5  0.952  0.226  -0.219  
 75   75  11  0.896  0.209  -0.483  
 76   76  10  0.852  0.120  -1.053  
 77   77   8  0.791  0.179  -0.388  
 78   78   5  0.764  0.266   0.455  
 79   79   7  0.756  0.185  -0.305  
 80   80  11  0.752  0.345   0.571  
 81   81   7  0.954  0.275   0.215  
 82   82  12  0.865  0.331   0.756  
 83   83   8  0.911  0.342   0.650  
 84   84   8  0.951  0.284   0.200  
 85   85   8  0.981  0.296   0.247  
 86   86   9  0.950  0.303   0.408  
 87   87  12  0.917  0.242  -0.071  
 88   88   5  0.965  0.226   0.083  
 89   89   7  0.968  0.267   0.493  
 90   90   8  0.941  0.306   0.335  
 91   91   4  0.963  0.255   0.472  
 92   92   7  0.963  0.199  -0.157  
 93   93   7  0.979  0.257   0.054  
 94   94  12  0.953  0.188  -0.572  
 95   95  11  0.869  0.270  -0.021  
 96   96   9  0.919  0.239  -0.152  
 97   97   8  0.945  0.375   0.940  
 98   98   9  0.946  0.302   0.573  
 99   99   9  0.936  0.289   0.021  
100  100   8  0.956  0.210  -0.507  
101  101   6  0.944  0.151  -0.551  
102  102   9  0.865  0.241  -0.353  
103  103  11  0.966  0.254  -0.089  
104  104   8  0.929  0.150  -0.686  
105  105   9  0.920  0.279   0.198  
106  106   9  0.896  0.239  -0.031  
107  107  11  0.921  0.158  -0.906  
108  108   7  0.975  0.171  -0.452  
109  109   5  0.968  0.199  -0.168  
110  110   7  0.979  0.179  -0.368  
111  111  12  0.950  0.196  -0.498  
112  112   8  0.979  0.228  -0.307  
113  113   7  0.974  0.172  -0.442  
114  114   9  0.960  0.266   0.084  
115  115   8  0.980  0.242  -0.226  
116  116   5  0.964  0.194  -0.215  
117  117   8  0.943  0.167  -0.499  
118  118   5  0.974  0.224   0.064  
119  119   8  0.968  0.171  -0.848  
120  120   6  0.943  0.118  -0.897  
121  121  12  0.943  0.257   0.069  
122  122   6  0.955  0.158  -0.358  
123  123  10  0.909  0.147  -0.783  
124  124   6  0.905  0.182  -0.226  
125  125   9  0.913  0.254  -0.252  
126  126  11  0.865  0.263  -0.077  
127  127   7  0.896  0.170  -0.722  
128  128   8  0.955  0.305   0.390  
129  129  10  0.913  0.190  -0.352  
130  130  11  0.928  0.240  -0.258  
131  131   8  0.831  0.182  -0.357  
132  132   8  0.940  0.336   0.670  
133  133   9  0.957  0.242  -0.346  
134  134   7  0.982  0.350   1.318  
135  135   9  0.920  0.358   0.890  
136  136   8  0.904  0.239   0.261  
137  137   8  0.974  0.270   0.019  
138  138   8  0.971  0.326   0.510  
139  139   8  0.958  0.301   0.291  
140  140   4  0.928  0.217   0.131  
141  141   6  0.821  0.284   0.845  
142  142   5  0.954  0.189  -0.261  
143  143   4  0.936  0.148  -0.488  
144  144   9  0.948  0.166  -0.792  
145  145   8  0.984  0.392   1.089  
146  146   9  0.904  0.289   0.021  
147  147   8  0.980  0.259  -0.026  
148  148   5  0.901  0.399   1.692  
149  149   8  0.758  0.268   0.528  
150  150  11  0.928  0.330   0.578  
151  151   4  0.873  0.157  -0.408  
152  152  14  0.796  0.320   0.782  
153  153   6  0.880  0.198  -0.058  
154  154   7  0.737  0.351   0.894  
155  155   4  0.617  0.379   1.585  
156  156   7  0.723  0.189  -0.262  
157  157   8  0.934  0.355   0.764  
158  158   8  0.941  0.233   0.168  
159  159  12  0.944  0.289   0.366  
160  160   8  0.975  0.249  -0.165  
161  161   7  0.979  0.210  -0.075  
162  162   7  0.971  0.261   0.433  
163  163   9  0.963  0.184  -0.635  
164  164   8  0.952  0.239   0.045  
165  165   8  0.951  0.288   0.236  
166  166   9  0.841  0.198  -0.512  
167  167   4  0.898  0.200  -0.022  
168  168  11  0.874  0.202  -0.558  
169  169   8  0.798  0.255   0.193  
170  170  10  0.803  0.202  -0.232  
171  171   8  0.863  0.244   0.281  
172  172   9  0.879  0.289   0.286  
173  173   9  0.930  0.236  -0.392  
174  174   7  0.955  0.263   0.108  
175  175   8  0.971  0.178  -0.398  
176  176   8  0.974  0.295   0.238  
177  177  14  0.974  0.245   0.034  
178  178   6  0.988  0.190  -0.142  
179  179   8  0.976  0.243  -0.217  
180  180   4  0.987  0.246   0.391  
181  181   7  0.989  0.305   0.483  
182  182   8  0.954  0.278   0.089  
183  183   6  0.942  0.174  -0.170  
184  184  12  0.948  0.275   0.236  
185  185   9  0.922  0.279   0.198  
186  186  11  0.969  0.333   0.604  
187  187   8  0.970  0.375   0.940  
188  188   7  0.967  0.300   0.438  
189  189   4  0.950  0.188  -0.129  
190  190   9  0.876  0.352   0.512  
191  191   7  0.964  0.188  -0.294  
192  192   7  0.964  0.328   1.100  
193  193  11  0.959  0.300   0.315  
194  194   9  0.894  0.318   0.540  
195  195   5  0.910  0.286   0.641  
196  196   8  0.910  0.149  -0.690  
197  197   7  0.946  0.250   0.380  
198  198  12  0.924  0.324   0.691  
199  199   9  0.935  0.186  -0.539  
200  200   9  0.835  0.346   0.785  
201  201   7  0.971  0.277   0.665  
202  202  12  0.929  0.314   0.598  
203  203   9  0.807  0.315   0.224  
204  204  11  0.906  0.372   0.784  
205  205   8  0.977  0.374   1.014  
206  206   6  0.944  0.144  -0.624  
207  207  11  0.831  0.367   0.745  
208  208   7  0.970  0.236  -0.133  
209  209   9  0.881  0.275   0.163  
210  210  11  0.946  0.326   0.543  
211  211   7  0.929  0.217   0.033  
212  212  11  0.946  0.417   1.340  
213  213   7  0.957  0.226   0.085  
214  214   8  0.892  0.160  -0.583  
215  215  11  0.944  0.313   0.429  
216  216   7  0.943  0.206  -0.401  
217  217   7  0.925  0.229   0.159  
218  218   9  0.916  0.339   0.724  
219  219   4  0.964  0.163  -0.354  
220  220   5  0.933  0.191  -0.243  
221  221  11  0.938  0.202  -0.558  
222  222   8  0.919  0.212  -0.048  
223  223   8  0.967  0.304   0.317  
224  224   8  0.980  0.310   0.435  
225  225   6  0.974  0.208   0.047  
226  226  11  0.925  0.254  -0.148  
227  227   8  0.966  0.283   0.133  
228  228   8  0.960  0.465   1.728  
229  229   9  0.798  0.305   0.146  
230  230  10  0.927  0.226   0.008  
231  231   8  0.937  0.141  -0.774  
232  232   7  0.924  0.164  -0.532  
233  233   6  0.965  0.129  -0.782  
234  234   9  0.830  0.269   0.257  
235  235  11  0.875  0.210  -0.495  
236  236   7  0.967  0.198  -0.194  
237  237   8  0.854  0.178  -0.522  
238  238   8  0.970  0.242  -0.226  
239  239   5  0.902  0.131  -1.119  
240  240   9  0.843  0.276   0.172  
241  241   7  0.975  0.251   0.001  
242  242   8  0.983  0.230  -0.331  
243  243   9  0.891  0.245  -0.100  
244  244  10  0.942  0.160  -0.653  
245  245   7  0.956  0.217  -0.005  
246  246  14  0.970  0.299   0.573  
247  247   8  0.964  0.319   0.516  
248  248   7  0.927  0.290   0.802  
249  249   5  0.898  0.202  -0.140  
250  250   8  0.928  0.222   0.081  
251  251   6  0.937  0.216   0.131  
252  252   6  0.893  0.134  -0.729  
253  253  29  0.931  0.363       ?  
#
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  
##
