data_2O55

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2O55
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2O55
_pdbx_vrpt_summary.PDB_deposition_date         2006-12-05
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-12-27
_pdbx_vrpt_summary.report_creation_date        2023-12-17:01:22
_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      "putative glycerophosphodiester phosphodiesterase"  
2  non-polymer  "SULFATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  2  
E  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.806  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  13.03  141614     ?     ?  
 2  2  1  37.43    3569  2.80  2.80  
 3  1  2  19.33  138981     ?     ?  
 4  2  2  49.37    3498  2.80  2.80  
 5  1  3  13.15  138945     ?     ?  
 6  2  3  36.51    3500  2.80  2.80  
 7  1  4  78.63  127900     ?     ?  
 8  2  4  73.20    3078  2.80  2.80  
 9  1  5  27.11  130704     ?     ?  
10  2  5  61.16    3140  2.80  2.80  
#
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  19.33  
2  4  2  A  1  1  A  49.37  
3  5  3  A  1  1  A  11.98  
4  6  3  A  1  1  A  34.11  
5  7  4  A  1  1  A  78.63  
6  8  4  A  1  1  A  73.20  
#
_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      0.71
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.67
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2099
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2827
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.79
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       7.49
_pdbx_vrpt_summary_geometry.clashscore                     16.33
_pdbx_vrpt_summary_geometry.num_H_reduce                   2034
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2099
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.67
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2827
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.71
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 99.987
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            40.505
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         46.886
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.16(2.81A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7678
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.017
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.348
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.505
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.337
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.927
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.045
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.81
_pdbx_vrpt_summary_diffraction.EDS_res_low               36.39
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[48.835,48.835,43.442,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.115
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.21% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             PARTIAL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         97.47
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      352
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.58
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.21
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.81
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        36.39
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
  1  1  1  A    2  SER  A    4  .  ?        ?     ?     ?  
  2  1  1  A    3  LYS  A    5  .  ?        ?     ?     ?  
  3  1  1  A    4  VAL  A    6  .  ?        ?     ?     ?  
  4  1  1  A    5  ILE  A    7  .  ?        ?     ?     ?  
  5  1  1  A    6  ILE  A    8  .  ?        ?     ?     ?  
  6  1  1  A    7  PRO  A    9  .  ?        ?     ?     ?  
  7  1  1  A    8  LYS  A   10  .  ?        ?     ?     ?  
  8  1  1  A    9  ILE  A   11  .  ?        ?     5     ?  
  9  1  1  A   10  VAL  A   12  .  ?        ?     ?     ?  
 10  1  1  A   11  GLY  A   13  .  ?        ?     ?     ?  
 11  1  1  A   12  HIS  A   14  .  ?        ?     1     ?  
 12  1  1  A   13  ARG  A   15  .  ?        ?     ?     ?  
 13  1  1  A   14  GLY  A   16  .  ?        ?     ?     ?  
 14  1  1  A   15  VAL  A   17  .  ?        ?     ?     ?  
 15  1  1  A   16  GLY  A   18  .  ?        ?     1     ?  
 16  1  1  A   17  LYS  A   19  .  ?        ?     ?     ?  
 17  1  1  A   18  GLU  A   20  .  ?        ?     ?     ?  
 18  1  1  A   19  GLY  A   21  .  ?        ?     ?     ?  
 19  1  1  A   20  LEU  A   22  .  ?        ?     ?     ?  
 20  1  1  A   21  ALA  A   23  .  ?        ?     ?     ?  
 21  1  1  A   22  PRO  A   24  .  ?        ?     1     ?  
 22  1  1  A   23  GLU  A   25  .  ?        ?     ?     ?  
 23  1  1  A   24  ASN  A   26  .  ?        ?     ?     ?  
 24  1  1  A   25  THR  A   27  .  ?        ?     1     ?  
 25  1  1  A   26  LEU  A   28  .  ?        ?     ?     ?  
 26  1  1  A   27  ARG  A   29  A  ?        ?     ?     ?  
 27  1  1  A   27  ARG  A   29  B  ?        ?     6     ?  
 28  1  1  A   28  SER  A   30  .  ?        ?     1     ?  
 29  1  1  A   29  PHE  A   31  .  ?        ?     ?     ?  
 30  1  1  A   30  VAL  A   32  .  ?        ?     ?     ?  
 31  1  1  A   31  LEU  A   33  .  ?        ?     ?     ?  
 32  1  1  A   32  CYS  A   34  .  ?        ?     ?     ?  
 33  1  1  A   33  MSE  A   35  .  ?        ?     3     ?  
 34  1  1  A   34  GLU  A   36  .  ?        ?     ?     ?  
 35  1  1  A   35  ARG  A   37  .  ?        ?     ?     ?  
 36  1  1  A   36  ASN  A   38  .  ?        ?     ?     ?  
 37  1  1  A   37  ILE  A   39  .  ?        ?     2     ?  
 38  1  1  A   38  PRO  A   40  .  ?        ?     ?     ?  
 39  1  1  A   39  TYR  A   41  .  ?        ?     1     ?  
 40  1  1  A   40  ILE  A   42  .  ?        ?     ?     ?  
 41  1  1  A   41  GLU  A   43  .  ?        ?     ?     ?  
 42  1  1  A   42  THR  A   44  .  ?        ?     ?     ?  
 43  1  1  A   43  ASP  A   45  .  ?        ?     ?     ?  
 44  1  1  A   44  LEU  A   46  .  ?        ?     ?     ?  
 45  1  1  A   45  ARG  A   47  .  ?        ?     2     ?  
 46  1  1  A   46  VAL  A   48  .  ?        ?     1     ?  
 47  1  1  A   47  CYS  A   49  .  ?        ?     1     ?  
 48  1  1  A   48  LYS  A   50  .  ?        ?     ?     ?  
 49  1  1  A   49  THR  A   51  .  ?        ?     ?     ?  
 50  1  1  A   50  GLY  A   52  .  ?        ?     ?     ?  
 51  1  1  A   51  GLU  A   53  .  ?        ?     1     ?  
 52  1  1  A   52  ILE  A   54  .  ?        ?     ?     ?  
 53  1  1  A   53  VAL  A   55  .  ?        ?     ?     ?  
 54  1  1  A   54  LEU  A   56  .  ?        ?     ?     ?  
 55  1  1  A   55  PHE  A   57  .  ?        ?     2     ?  
 56  1  1  A   56  HIS  A   58  .  ?        ?     1     ?  
 57  1  1  A   57  GLY  A   59  .  ?        ?     ?     ?  
 58  1  1  A   58  THR  A   60  .  ?        ?     ?     ?  
 59  1  1  A   59  PRO  A   61  .  ?        ?     ?     ?  
 60  1  1  A   60  GLU  A   62  .  ?        ?     ?     ?  
 61  1  1  A   61  GLY  A   63  .  ?        ?     ?     ?  
 62  1  1  A   62  THR  A   64  .  ?        ?     ?     ?  
 63  1  1  A   63  ILE  A   65  .  ?        ?     ?     ?  
 64  1  1  A   64  PRO  A   66  .  ?        ?     ?     ?  
 65  1  1  A   65  PHE  A   67  .  ?        ?     ?     ?  
 66  1  1  A   66  TYR  A   68  .  ?        ?     1     ?  
 67  1  1  A   67  LYS  A   69  .  ?        ?     1     ?  
 68  1  1  A   68  ASP  A   70  .  ?        ?     1     ?  
 69  1  1  A   69  GLY  A   71  .  ?        ?     ?     ?  
 70  1  1  A   70  THR  A   72  .  ?        ?     1     ?  
 71  1  1  A   71  SER  A   73  .  ?        ?     ?     ?  
 72  1  1  A   72  ARG  A   74  .  ?        ?     ?     ?  
 73  1  1  A   73  ILE  A   75  .  ?        ?     1     ?  
 74  1  1  A   74  GLY  A   76  .  ?        ?     ?     ?  
 75  1  1  A   75  ASP  A   77  .  ?        ?     ?     ?  
 76  1  1  A   76  LEU  A   78  .  ?        ?     1     ?  
 77  1  1  A   77  SER  A   79  .  ?        ?     ?     ?  
 78  1  1  A   78  LEU  A   80  .  ?        ?     1     ?  
 79  1  1  A   79  GLU  A   81  .  ?        ?     ?     ?  
 80  1  1  A   80  GLU  A   82  .  ?        ?     ?     ?  
 81  1  1  A   81  LEU  A   83  .  ?        ?     ?     ?  
 82  1  1  A   82  LYS  A   84  .  ?        ?     ?     ?  
 83  1  1  A   83  ARG  A   85  .  ?        ?     1     ?  
 84  1  1  A   84  LEU  A   86  .  ?        ?     1     ?  
 85  1  1  A   85  ASP  A   87  .  ?        ?     ?     ?  
 86  1  1  A   86  VAL  A   88  .  ?        ?     ?     ?  
 87  1  1  A   87  GLY  A   89  .  ?        ?     1     ?  
 88  1  1  A   88  GLY  A   90  .  ?        ?     ?     ?  
 89  1  1  A   89  GLY  A   91  .  ?        ?     ?     ?  
 90  1  1  A   90  HIS  A   92  .  ?        ?     2     ?  
 91  1  1  A   91  THR  A   93  .  ?        ?     ?     ?  
 92  1  1  A   92  ILE  A   94  .  ?        ?     ?     ?  
 93  1  1  A   93  PRO  A   95  .  ?        ?     ?     ?  
 94  1  1  A   94  SER  A   96  .  ?        ?     ?     ?  
 95  1  1  A   95  LEU  A   97  .  ?        ?     ?     ?  
 96  1  1  A   96  GLU  A   98  .  ?        ?     ?     ?  
 97  1  1  A   97  GLU  A   99  .  ?        ?     ?     ?  
 98  1  1  A   98  LEU  A  100  .  ?        ?     ?     ?  
 99  1  1  A   99  PHE  A  101  .  ?        ?     ?     ?  
100  1  1  A  100  VAL  A  102  .  ?        ?     ?     ?  
101  1  1  A  101  ALA  A  103  .  ?        ?     ?     ?  
102  1  1  A  102  ILE  A  104  .  ?        ?     1     ?  
103  1  1  A  103  GLU  A  105  .  ?        ?     ?     ?  
104  1  1  A  104  GLU  A  106  .  ?        ?     ?     ?  
105  1  1  A  105  GLN  A  107  .  ?        ?     9     ?  
106  1  1  A  106  LYS  A  108  .  ?        ?     5     ?  
107  1  1  A  107  PHE  A  109  .  ?        ?     1     ?  
108  1  1  A  108  ASN  A  110  .  ?        ?     2     ?  
109  1  1  A  109  LEU  A  111  .  ?        ?     ?     ?  
110  1  1  A  110  LYS  A  112  .  ?        ?     1     ?  
111  1  1  A  111  LEU  A  113  .  ?        ?     ?     ?  
112  1  1  A  112  ASN  A  114  .  ?        ?     ?     ?  
113  1  1  A  113  LEU  A  115  .  ?        ?     ?     ?  
114  1  1  A  114  GLU  A  116  .  ?        ?     ?     ?  
115  1  1  A  115  LEU  A  117  .  ?        ?     1     ?  
116  1  1  A  116  LYS  A  118  .  ?        ?     1     1  
117  1  1  A  117  GLY  A  119  .  ?        ?     3     ?  
118  1  1  A  118  GLU  A  120  .  ?        ?     ?     ?  
119  1  1  A  119  GLU  A  121  .  ?        ?     1     ?  
120  1  1  A  120  TRP  A  122  .  ?        ?     4     ?  
121  1  1  A  121  LYS  A  123  .  ?        ?     1     ?  
122  1  1  A  122  ARG  A  124  .  ?        ?     1     ?  
123  1  1  A  123  LYS  A  125  .  ?        ?     ?     1  
124  1  1  A  124  GLU  A  126  .  ?        ?     2     ?  
125  1  1  A  125  SER  A  127  .  ?        ?     ?     ?  
126  1  1  A  126  GLY  A  128  .  ?        ?     2     ?  
127  1  1  A  127  ASP  A  129  .  ?        ?     1     ?  
128  1  1  A  128  HIS  A  130  .  ?        ?     1     ?  
129  1  1  A  129  GLN  A  131  .  ?        ?     ?     ?  
130  1  1  A  130  ARG  A  132  .  ?        ?     ?     ?  
131  1  1  A  131  LEU  A  133  .  ?        ?     ?     ?  
132  1  1  A  132  LEU  A  134  .  ?        ?     ?     ?  
133  1  1  A  133  LEU  A  135  .  ?        ?     ?     ?  
134  1  1  A  134  LEU  A  136  .  ?        ?     ?     ?  
135  1  1  A  135  VAL  A  137  .  ?        ?     ?     ?  
136  1  1  A  136  GLU  A  138  .  ?        ?     ?     ?  
137  1  1  A  137  LYS  A  139  .  ?        ?     1     ?  
138  1  1  A  138  TYR  A  140  .  ?        ?     1     ?  
139  1  1  A  139  HIS  A  141  .  ?        ?     1     ?  
140  1  1  A  140  MSE  A  142  .  ?        ?     1     ?  
141  1  1  A  141  GLN  A  143  .  ?        ?     1     ?  
142  1  1  A  142  GLU  A  144  .  ?        ?     ?     ?  
143  1  1  A  143  ARG  A  145  .  ?        ?     2     ?  
144  1  1  A  144  VAL  A  146  .  ?        ?     ?     ?  
145  1  1  A  145  ASP  A  147  .  ?        ?     ?     ?  
146  1  1  A  146  TYR  A  148  .  ?        ?     ?     ?  
147  1  1  A  147  CYS  A  149  .  ?        ?     ?     ?  
148  1  1  A  148  SER  A  150  .  ?        ?     1     ?  
149  1  1  A  149  PHE  A  151  .  ?        ?     ?     ?  
150  1  1  A  150  HIS  A  152  .  ?        ?     ?     ?  
151  1  1  A  151  HIS  A  153  .  ?        ?     ?     ?  
152  1  1  A  152  GLU  A  154  .  ?        ?     ?     ?  
153  1  1  A  153  ALA  A  155  .  ?        ?     ?     ?  
154  1  1  A  154  LEU  A  156  .  ?        ?     ?     ?  
155  1  1  A  155  ALA  A  157  .  ?        ?     ?     ?  
156  1  1  A  156  HIS  A  158  .  ?        ?     ?     ?  
157  1  1  A  157  LEU  A  159  .  ?        ?     1     ?  
158  1  1  A  158  LYS  A  160  .  ?        ?     1     ?  
159  1  1  A  159  ALA  A  161  .  ?        ?     ?     ?  
160  1  1  A  160  LEU  A  162  .  ?        ?     ?     ?  
161  1  1  A  161  CYS  A  163  .  ?        ?     ?     ?  
162  1  1  A  162  PRO  A  164  .  ?        ?     1     ?  
163  1  1  A  163  ASP  A  165  .  ?        ?     ?     ?  
164  1  1  A  164  VAL  A  166  .  ?        ?     ?     ?  
165  1  1  A  165  LYS  A  167  .  ?        ?     2     ?  
166  1  1  A  166  ILE  A  168  .  ?        ?     1     ?  
167  1  1  A  167  THR  A  169  .  ?        ?     ?     ?  
168  1  1  A  168  TYR  A  170  .  ?        ?     ?     ?  
169  1  1  A  169  LEU  A  171  .  ?        ?     1     ?  
170  1  1  A  170  PHE  A  172  .  ?        ?     ?     ?  
171  1  1  A  171  ASN  A  173  .  ?        ?     1     ?  
172  1  1  A  172  TYR  A  174  .  ?        ?     ?     ?  
173  1  1  A  173  MSE  A  175  .  ?        ?     1     ?  
174  1  1  A  174  GLY  A  176  .  ?        ?     ?     ?  
175  1  1  A  175  GLN  A  177  .  ?        ?     2     ?  
176  1  1  A  176  PRO  A  178  .  ?        ?     ?     ?  
177  1  1  A  177  THR  A  179  .  ?        ?     ?     ?  
178  1  1  A  178  PRO  A  180  .  ?        ?     ?     ?  
179  1  1  A  179  LEU  A  181  .  ?        ?     ?     ?  
180  1  1  A  180  ASP  A  182  .  ?        ?     ?     ?  
181  1  1  A  181  PHE  A  183  .  ?        ?     2     ?  
182  1  1  A  182  VAL  A  184  .  ?        ?     3     ?  
183  1  1  A  183  GLU  A  185  .  ?        ?     ?     ?  
184  1  1  A  184  GLN  A  186  .  ?        ?     ?     ?  
185  1  1  A  185  ALA  A  187  .  ?        ?     ?     ?  
186  1  1  A  186  CYS  A  188  .  ?        ?     ?     ?  
187  1  1  A  187  TYR  A  189  .  ?        ?     ?     ?  
188  1  1  A  188  GLY  A  190  .  ?        ?     ?     ?  
189  1  1  A  189  ASP  A  191  .  ?        ?     ?     ?  
190  1  1  A  190  ALA  A  192  .  ?        ?     1     ?  
191  1  1  A  191  ASN  A  193  .  ?        ?     ?     ?  
192  1  1  A  192  GLY  A  194  .  ?        ?     ?     ?  
193  1  1  A  193  VAL  A  195  .  ?        ?     ?     ?  
194  1  1  A  194  SER  A  196  .  ?        ?     ?     ?  
195  1  1  A  195  MSE  A  197  .  ?        ?     3     ?  
196  1  1  A  196  LEU  A  198  .  ?        ?     ?     ?  
197  1  1  A  197  PHE  A  199  .  ?        ?     ?     ?  
198  1  1  A  198  HIS  A  200  .  ?        ?     ?     ?  
199  1  1  A  199  TYR  A  201  .  ?        ?     ?     ?  
200  1  1  A  200  LEU  A  202  .  ?        ?     1     ?  
201  1  1  A  201  THR  A  203  .  ?        ?     1     ?  
202  1  1  A  202  LYS  A  204  .  ?        1     2     ?  
203  1  1  A  203  GLU  A  205  .  ?        ?     1     ?  
204  1  1  A  204  GLN  A  206  .  ?        ?     ?     ?  
205  1  1  A  205  VAL  A  207  .  ?        ?     ?     ?  
206  1  1  A  206  CYS  A  208  .  ?        ?     ?     ?  
207  1  1  A  207  THR  A  209  .  ?        ?     1     ?  
208  1  1  A  208  ALA  A  210  .  ?        ?     ?     ?  
209  1  1  A  209  HIS  A  211  .  ?        ?     ?     ?  
210  1  1  A  210  GLU  A  212  .  ?        ?     ?     ?  
211  1  1  A  211  LYS  A  213  .  ?        ?     ?     ?  
212  1  1  A  212  GLY  A  214  .  ?        ?     ?     ?  
213  1  1  A  213  LEU  A  215  .  ?        ?     ?     ?  
214  1  1  A  214  SER  A  216  .  ?        ?     ?     ?  
215  1  1  A  215  VAL  A  217  .  ?        ?     ?     ?  
216  1  1  A  216  THR  A  218  .  ?        ?     ?     ?  
217  1  1  A  217  VAL  A  219  .  ?        ?     2     ?  
218  1  1  A  218  TRP  A  220  .  ?        ?     ?     ?  
219  1  1  A  219  MSE  A  221  .  ?        ?     ?     ?  
220  1  1  A  220  PRO  A  222  .  ?        ?     1     ?  
221  1  1  A  221  TRP  A  223  .  ?        ?     ?     ?  
222  1  1  A  222  ILE  A  224  .  ?        ?     1     ?  
223  1  1  A  223  PHE  A  225  .  ?        ?     1     ?  
224  1  1  A  224  ASP  A  226  .  ?        ?     ?     ?  
225  1  1  A  225  ASP  A  227  .  ?        ?     ?     ?  
226  1  1  A  226  SER  A  228  .  ?        ?     ?     ?  
227  1  1  A  227  GLU  A  229  .  ?        ?     1     ?  
228  1  1  A  228  GLU  A  230  .  ?        ?     ?     ?  
229  1  1  A  229  ASP  A  231  .  ?        ?     ?     ?  
230  1  1  A  230  TRP  A  232  .  ?        ?     ?     ?  
231  1  1  A  231  LYS  A  233  .  ?        ?     ?     ?  
232  1  1  A  232  LYS  A  234  .  ?        ?     ?     ?  
233  1  1  A  233  CYS  A  235  .  ?        ?     ?     ?  
234  1  1  A  234  LEU  A  236  .  ?        ?     ?     ?  
235  1  1  A  235  GLU  A  237  .  ?        ?     ?     ?  
236  1  1  A  236  LEU  A  238  .  ?        ?     ?     ?  
237  1  1  A  237  GLN  A  239  .  ?        ?     ?     ?  
238  1  1  A  238  VAL  A  240  .  ?        ?     2     ?  
239  1  1  A  239  ASP  A  241  .  ?        ?     ?     ?  
240  1  1  A  240  LEU  A  242  .  ?        ?     ?     ?  
241  1  1  A  241  ILE  A  243  .  ?        ?     ?     ?  
242  1  1  A  242  CYS  A  244  .  ?        ?     ?     ?  
243  1  1  A  243  SER  A  245  .  ?        ?     ?     ?  
244  1  1  A  244  ASN  A  246  .  ?        ?     1     ?  
245  1  1  A  245  TYR  A  247  .  ?        ?     ?     ?  
246  1  1  A  246  PRO  A  248  .  ?        ?     ?     ?  
247  1  1  A  247  PHE  A  249  .  ?        ?     ?     ?  
248  1  1  A  248  GLY  A  250  .  ?        ?     ?     ?  
249  1  1  A  249  LEU  A  251  .  ?        ?     3     ?  
250  1  1  A  250  MSE  A  252  .  ?        ?     ?     ?  
251  1  1  A  251  ASN  A  253  .  ?        ?     1     ?  
252  1  1  A  252  PHE  A  254  .  ?        ?     1     ?  
253  1  1  A  253  LEU  A  255  .  ?        ?     2     ?  
254  1  1  A  254  SER  A  256  .  ?        ?     1     ?  
255  1  1  A  255  ASN  A  257  .  ?        ?     ?     ?  
256  1  2  B    .  SO4  A    1  .  ?        ?     ?     ?  
257  1  2  C    .  SO4  A    2  .  ?        ?     1     ?  
258  1  2  D    .  SO4  A  261  .  ?        ?     1     ?  
259  1  3  E    .  HOH  A  262  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  p             ?       ?  ?           ?     4  30.190     6  1.33     8  0.89  molprobity  1.000  
  2    2  tttt      -51.6   114.3  Allowed     ?    13  27.150     9  0.42    11  0.35  molprobity  1.000  
  3    3  t         -45.2   120.6  Allowed     ?     9  23.690     7  0.76    10  0.58  molprobity  1.000  
  4    4  mt        -85.7   114.8  Favored     ?    11  20.150     8  0.64    11  0.71  molprobity  1.000  
  5    5  mt        -85.5   119.2  Favored     ?    11  18.640     8  0.61    12  0.53  molprobity  1.000  
  6    6  Cg_exo    -76.4   154.6  Favored     ?     7  17.020     8  0.41    11  0.44  molprobity  1.000  
  7    7  mttt      -95.3   151.4  Favored     ?    13  18.560     9  0.44    11  0.62  molprobity  1.000  
  8    8  mm        -82.5   132.4  Favored     ?    11  14.590     8  0.38    11  0.97  molprobity  1.000  
  9    9  t        -109.1   119.8  Favored     ?     9  14.550     7  0.78    10  0.78  molprobity  1.000  
 10   10  ?         -73.7   105.2  Allowed     ?     3  15.980     4  0.49     5  0.31  molprobity  1.000  
 11   11  t-160     -66.1   114.9  Favored     ?     7  17.960    11  0.21    15  0.41  molprobity  1.000  
 12   12  mtt180     53.0    28.6  Favored     ?    13  13.590    11  0.45    14  0.79  molprobity  1.000  
 13   13  ?         101.8  -126.7  Favored     ?     3  15.800     4  0.36     5  0.37  molprobity  1.000  
 14   14  m         -75.1     9.3  Allowed     ?     9  16.860     7  0.45    10  0.69  molprobity  1.000  
 15   15  ?          57.2  -137.1  Favored     ?     3  19.200     4  0.13     5  0.58  molprobity  1.000  
 16   16  mtpt      -87.2    11.6  Favored     ?    13  19.000     9  0.34    11  0.57  molprobity  1.000  
 17   17  mm-40     -65.6   160.2  Favored     ?     6  20.380     9  0.80    12  0.99  molprobity  1.000  
 18   18  ?         -57.8   -40.8  Favored     ?     3  23.090     4  0.77     5  0.68  molprobity  1.000  
 19   19  OUTLIER   -63.0   -14.7  Favored     ?    11  23.230     8  0.60    11  1.10  molprobity  1.000  
 20   20  ?        -169.2   155.1  Favored     ?     5  23.020     5  0.45     8  0.71  molprobity  1.000  
 21   21  Cg_endo   -67.8   145.7  Favored     ?     7  24.100     8  0.49    11  0.45  molprobity  1.000  
 22   22  pt-20     -56.4   147.7  Favored     ?     6  22.890     9  0.68    12  0.40  molprobity  1.000  
 23   23  m-20       48.3    48.9  Favored     ?     6  22.980     8  0.35    11  0.68  molprobity  1.000  
 24   24  OUTLIER  -130.8   139.8  Favored     ?     7  21.860     7  0.37    10  0.79  molprobity  1.000  
 25   25  mt        -51.4   -40.3  Favored     ?    11  20.470     8  0.54    11  0.47  molprobity  1.000  
 26   26  OUTLIER   -62.8   -30.8  Favored     ?    13  17.500    11  0.25    14  0.51  molprobity  1.000  
 27   27  OUTLIER   -62.8   -30.8  Favored     ?    13  17.500    11  0.25    14  0.51  molprobity  1.000  
 28   28  t         -67.2   -51.5  Favored     ?     5  22.440     6  0.33     8  0.42  molprobity  1.000  
 29   29  m-85      -65.6   -44.0  Favored     ?     9  25.770    12  1.12    16  0.34  molprobity  1.000  
 30   30  t         -55.5   -49.7  Favored     ?     9  25.640     7  0.62    10  0.56  molprobity  1.000  
 31   31  mt        -54.2   -34.8  Favored     ?    11  26.030     8  0.46    11  0.80  molprobity  1.000  
 32   32  m         -67.9   -35.0  Favored     ?     5  27.720     5  0.91     5  0.36  molprobity  1.000  
 33   33  mtp       -70.2   -60.1  Favored     ?     9  27.130     8  0.36    10  0.64  molprobity  1.000  
 34   34  mt-10     -35.4   -50.2  Allowed     ?     6  23.140     9  0.61    12  0.66  molprobity  1.000  
 35   35  mmt180    -77.9     9.7  Favored     ?    13  19.800    11  0.35    14  0.63  molprobity  1.000  
 36   36  m-80       54.9    44.4  Favored     ?     6  17.610     8  1.54    11  0.72  molprobity  1.000  
 37   37  OUTLIER   -97.9   121.1  Favored     ?    11  16.690     8  1.20    12  0.91  molprobity  1.000  
 38   38  Cg_endo   -68.5   -24.7  Favored     ?     7  14.360     8  0.38    11  0.69  molprobity  1.000  
 39   39  m-85     -134.1   149.3  Favored     ?     9  16.350    13  0.66    18  0.80  molprobity  1.000  
 40   40  pp       -130.2   154.9  Favored     ?    11  15.490     8  0.40    11  0.67  molprobity  1.000  
 41   41  tm-20    -104.7   140.4  Favored     ?     6  17.220     9  1.11    12  0.96  molprobity  1.000  
 42   42  t        -144.5   163.9  Favored     ?     7  15.720     7  0.54    10  0.69  molprobity  1.000  
 43   43  m-20     -110.3   111.6  Favored     ?     4  17.860     8  0.63    11  0.46  molprobity  1.000  
 44   44  mt        -88.6   125.6  Favored     ?    11  15.600     8  0.39    11  1.02  molprobity  1.000  
 45   45  mtp85    -134.6   160.8  Favored     ?    13  13.320    11  0.36    14  0.63  molprobity  1.000  
 46   46  t        -109.2   127.6  Favored     ?     9  18.180     7  0.51    10  0.49  molprobity  1.000  
 47   47  p         -90.7   169.2  Favored     ?     5  20.970     6  0.41     8  0.48  molprobity  1.000  
 48   48  tptm      -46.0   -43.3  Favored     ?    13  21.080     9  0.73    11  0.67  molprobity  1.000  
 49   49  OUTLIER   -87.2     7.7  Favored     ?     7  20.740     7  0.87    10  0.73  molprobity  1.000  
 50   50  ?         112.6   -33.4  Favored     ?     3  21.170     4  0.53     5  1.05  molprobity  1.000  
 51   51  pm0       -81.4   156.1  Favored     ?     6  22.380     9  0.81    12  0.97  molprobity  1.000  
 52   52  mt        -88.5   119.7  Favored     ?    11  21.530     8  0.36    11  0.74  molprobity  1.000  
 53   53  OUTLIER  -113.2   163.8  Favored     ?     9  22.270     7  0.40    10  1.12  molprobity  1.000  
 54   54  mt       -113.9   112.1  Favored     ?    11  23.020     8  0.55    11  0.64  molprobity  1.000  
 55   55  t80      -173.7   123.4  Allowed     ?     9  25.000    12  0.78    16  0.46  molprobity  1.000  
 56   56  t-80      -80.1   -71.5  Allowed     ?     7  23.960    11  0.19    15  0.31  molprobity  1.000  
 57   57  ?          75.0  -178.5  Favored     ?     3  26.070     4  0.57     5  0.50  molprobity  1.000  
 58   58  p         -64.3   160.4  Favored     ?     7  27.370     7  0.54    11  0.75  molprobity  1.000  
 59   59  Cg_exo    -29.5   -28.0  OUTLIER     ?     7  28.180     8  0.66    11  0.74  molprobity  1.000  
 60   60  pm0      -120.9    29.9  Favored     ?     6  29.190     9  0.66    12  0.62  molprobity  1.000  
 61   61  ?          68.2    26.8  Favored     ?     3  27.850     4  0.55     5  1.16  molprobity  1.000  
 62   62  m         -81.1   159.8  Favored     ?     7  26.860     7  0.50    10  0.37  molprobity  1.000  
 63   63  mt       -109.8    91.2  Favored     ?    11  26.800     8  0.58    12  0.54  molprobity  1.000  
 64   64  Cg_endo   -50.7   -39.4  Favored     ?     7  27.790     8  0.50    11  0.76  molprobity  1.000  
 65   65  OUTLIER   -77.4   -26.8  Favored     ?     9  29.440    12  1.20    16  0.83  molprobity  1.000  
 66   66  t80       -83.6   124.1  Favored     ?     9  29.270    13  0.77    18  0.46  molprobity  1.000  
 67   67  mttt       55.4  -125.8  Favored     ?    13  27.340     9  0.40    11  0.60  molprobity  1.000  
 68   68  m-20      -73.5     4.2  Favored     ?     4  27.900     8  0.39    11  0.47  molprobity  1.000  
 69   69  ?          72.5    30.8  Favored     ?     3  27.480     4  0.36     5  1.33  molprobity  1.000  
 70   70  t        -103.2   -21.8  Favored     ?     7  26.380     7  0.61    10  0.68  molprobity  1.000  
 71   71  m         -96.0   147.3  Favored     ?     5  26.360     6  0.41     8  0.83  molprobity  1.000  
 72   72  ptp85     -96.4   162.0  Favored     ?    13  26.870    11  0.73    14  1.06  molprobity  1.000  
 73   73  mp        -62.8   -41.2  Favored     ?    11  25.830     8  0.41    11  0.63  molprobity  1.000  
 74   74  ?         -56.7    -7.7  Favored     ?     3  24.970     4  0.42     5  0.30  molprobity  1.000  
 75   75  m-20      -88.2   -22.1  Favored     ?     4  24.850     8  0.19    11  0.73  molprobity  1.000  
 76   76  mt       -116.3   144.8  Favored     ?    11  24.970     8  0.34    11  0.81  molprobity  1.000  
 77   77  p         -66.6   165.4  Favored     ?     5  25.510     6  0.31     8  0.47  molprobity  1.000  
 78   78  tp        -61.6   -42.5  Favored     ?    11  26.370     8  0.47    11  0.46  molprobity  1.000  
 79   79  tt0       -65.4   -50.1  Favored     ?     6  26.810     9  0.37    12  0.39  molprobity  1.000  
 80   80  mt-10     -55.6   -38.5  Favored     ?     6  26.290     9  0.57    12  0.65  molprobity  1.000  
 81   81  mt        -66.3   -39.8  Favored     ?    11  27.210     8  0.35    11  0.73  molprobity  1.000  
 82   82  mtmt      -81.9    21.4  Allowed     ?    13  26.530     9  0.53    11  0.47  molprobity  1.000  
 83   83  mtm-85   -130.2    39.6  Favored     ?    13  27.420    11  0.57    14  0.77  molprobity  1.000  
 84   84  mt       -125.7   133.4  Favored     ?    11  27.250     8  0.44    11  1.21  molprobity  1.000  
 85   85  t0        -78.8   132.0  Favored     ?     4  27.710     8  0.39    11  0.52  molprobity  1.000  
 86   86  t        -108.0   -71.6  Allowed     ?     9  28.100     7  0.30    10  0.59  molprobity  1.000  
 87   87  ?         -90.0  -179.0  Favored     ?     3  28.830     4  0.39     5  1.13  molprobity  1.000  
 88   88  ?         -68.6    83.4  Allowed     ?     3  29.630     4  0.12     5  0.74  molprobity  1.000  
 89   89  ?         118.7   -15.6  Favored     ?     3  31.330     4  0.31     5  1.00  molprobity  1.000  
 90   90  m80      -108.5   161.7  Favored     1     7  33.670    11  0.34    15  0.31  molprobity  1.000  
 91   91  t        -134.6   161.8  Favored     ?     7  31.540     7  0.49    10  0.51  molprobity  1.000  
 92   92  mt        -64.3   120.4  Favored     ?    11  29.450     8  0.45    12  0.81  molprobity  1.000  
 93   93  Cg_endo   -86.9   162.7  Favored     ?     7  28.190     8  0.35    11  0.47  molprobity  1.000  
 94   94  p         -89.6   179.7  Favored     ?     5  26.760     6  0.30     8  0.76  molprobity  1.000  
 95   95  OUTLIER   -75.8   -41.7  Favored     ?    11  25.930     8  0.45    11  0.96  molprobity  1.000  
 96   96  tt0       -54.0   -45.2  Favored     ?     6  24.230     9  0.64    12  0.41  molprobity  1.000  
 97   97  mt-10     -55.6   -36.0  Favored     ?     6  23.790     9  0.91    12  0.51  molprobity  1.000  
 98   98  tp        -71.7   -37.7  Favored     ?    11  20.910     8  0.55    11  0.60  molprobity  1.000  
 99   99  m-30      -64.9   -58.8  Favored     ?     9  19.120    12  0.63    16  0.63  molprobity  1.000  
100  100  t         -42.0   -49.3  Allowed     ?     9  18.920     7  0.65    10  0.44  molprobity  1.000  
101  101  ?         -53.0   -51.5  Favored     ?     5  19.540     5  0.99     7  0.70  molprobity  1.000  
102  102  mt        -65.4   -37.9  Favored     ?    11  20.330     8  0.44    11  0.73  molprobity  1.000  
103  103  tp10      -67.5   -33.9  Favored     ?     6  23.180     9  0.83    12  0.60  molprobity  1.000  
104  104  mt-10     -78.1   -23.5  Favored     ?     6  20.120     9  0.42    12  0.80  molprobity  1.000  
105  105  tp60      -76.0   173.0  Favored     1     8  19.960     9  0.66    12  0.68  molprobity  1.000  
106  106  mttp     -118.8    -6.0  Favored     ?    13  14.930     9  0.70    11  0.83  molprobity  1.000  
107  107  t80       -74.2   125.5  Favored     ?     9  12.540    12  0.61    16  0.38  molprobity  1.000  
108  108  t30       -71.7    56.8  Allowed     ?     6  11.630     8  0.52    11  0.64  molprobity  1.000  
109  109  tp        -58.4   136.4  Favored     ?    11  13.030     8  0.31    11  0.60  molprobity  1.000  
110  110  mttt     -111.3   160.4  Favored     ?    13  16.370     9  0.27    11  0.63  molprobity  1.000  
111  111  mt       -125.5   141.9  Favored     ?    11  18.190     8  0.52    11  0.75  molprobity  1.000  
112  112  m-20     -103.5   111.6  Favored     ?     6  17.500     8  0.31    11  0.37  molprobity  1.000  
113  113  mt        -98.6   113.3  Favored     ?    11  17.060     8  0.39    11  0.48  molprobity  1.000  
114  114  tt0       -86.6   124.6  Favored     ?     6  16.970     9  0.93    12  0.80  molprobity  1.000  
115  115  mt        -76.3    90.3  Favored     ?    11  16.090     8  0.52    11  0.83  molprobity  1.000  
116  116  mmtt      -78.3   109.5  Favored     ?    13  17.330     9  0.48    11  0.69  molprobity  1.000  
117  117  ?        -130.1    96.3  Allowed     ?     3  19.370     4  1.00     5  1.22  molprobity  1.000  
118  118  mt-10     -77.8   -57.3  Favored     ?     6  21.120     9  0.94    12  1.14  molprobity  1.000  
119  119  pt-20    -119.7    22.8  Favored     ?     6  21.710     9  0.57    12  0.86  molprobity  1.000  
120  120  m95       -73.2   -21.2  Favored     ?    10  16.940    16  0.71    23  0.53  molprobity  1.000  
121  121  tttm      -79.1   -24.6  Favored     ?    13  21.840     9  1.25    11  0.73  molprobity  1.000  
122  122  ttm180    -66.1   128.9  Favored     ?    13  26.130    11  0.53    14  0.83  molprobity  1.000  
123  123  mtmt      -74.8   140.5  Favored     ?    13  23.090     9  0.83    11  0.71  molprobity  1.000  
124  124  tp10      -32.1   113.3  Allowed     ?     6  16.640     9  1.41    12  1.76  molprobity  1.000  
125  125  p         -86.8   -28.6  Favored     ?     5  21.510     6  0.45     8  0.85  molprobity  1.000  
126  126  ?         110.5    -4.9  Favored     ?     3  21.200     4  0.18     5  1.26  molprobity  1.000  
127  127  OUTLIER   -64.2   -41.8  Favored     ?     4  21.980     8  0.36    11  0.75  molprobity  1.000  
128  128  m80       -77.8   -41.1  Favored     ?     7  21.940    11  0.25    15  0.23  molprobity  1.000  
129  129  mt-30     -63.1   -36.9  Favored     ?     8  23.470     9  0.65    12  0.42  molprobity  1.000  
130  130  ttm105    -60.6   -43.5  Favored     ?    13  17.990    11  0.54    14  0.68  molprobity  1.000  
131  131  tp        -63.2   -51.2  Favored     ?    11  13.570     8  0.50    11  0.51  molprobity  1.000  
132  132  mt        -65.9   -46.9  Favored     ?    11  12.910     8  0.39    11  0.59  molprobity  1.000  
133  133  OUTLIER   -60.5   -36.3  Favored     ?    11  13.870     8  0.62    11  1.00  molprobity  1.000  
134  134  tp        -62.0   -55.3  Favored     ?    11  14.800     8  0.54    11  0.66  molprobity  1.000  
135  135  t         -45.1   -53.5  Allowed     ?     9  16.560     7  0.45    10  0.58  molprobity  1.000  
136  136  pt-20     -76.6   -21.6  Favored     ?     6  22.300     9  0.88    12  0.60  molprobity  1.000  
137  137  tttt      -68.5    -7.1  Favored     ?    13  19.390     9  0.31    11  0.26  molprobity  1.000  
138  138  m-85     -125.6    17.3  Favored     ?     9  18.820    13  0.52    18  0.73  molprobity  1.000  
139  139  m-70       43.8    45.5  Favored     ?     7  20.570    10  0.19    12  0.40  molprobity  1.000  
140  140  mmt       -98.8    -0.3  Favored     ?     9  21.260     8  0.63    10  0.52  molprobity  1.000  
141  141  mp0       -43.6   -42.8  Favored     ?     8  18.840     9  0.85    12  0.97  molprobity  1.000  
142  142  mt-10     -95.1     3.4  Favored     ?     6  20.240     9  0.78    12  0.96  molprobity  1.000  
143  143  mtm180   -119.5    18.5  Favored     ?    13  15.510    11  0.56    14  1.19  molprobity  1.000  
144  144  t        -138.7   129.2  Favored     ?     9  14.920     7  0.89    10  0.67  molprobity  1.000  
145  145  t0       -126.1   123.2  Favored     ?     4  15.960     8  0.46    11  0.60  molprobity  1.000  
146  146  m-85      -97.8   137.8  Favored     ?     9  14.700    13  0.83    18  0.82  molprobity  1.000  
147  147  p        -140.4   164.7  Favored     ?     5  14.180     6  2.01     8  1.11  molprobity  1.000  
148  148  t        -167.2   155.0  Favored     ?     5  12.570     6  0.42     8  0.43  molprobity  1.000  
149  149  m-85      -75.9   -29.3  Favored     ?     9  10.310    12  0.91    16  0.42  molprobity  1.000  
150  150  m-70      -98.4   102.7  Favored     ?     7  11.910    11  0.39    15  0.49  molprobity  1.000  
151  151  m80       -76.0   -15.8  Favored     ?     7  14.500    11  0.37    15  0.61  molprobity  1.000  
152  152  tt0       -63.9   -31.8  Favored     ?     6  15.450     9  0.86    12  0.52  molprobity  1.000  
153  153  ?         -64.2   -40.4  Favored     ?     5   9.430     5  0.37     7  0.57  molprobity  1.000  
154  154  mt        -63.7   -44.1  Favored     ?    11   7.620     8  0.47    11  0.46  molprobity  1.000  
155  155  ?         -50.8   -35.0  Favored     ?     5   8.570     5  0.61     7  0.48  molprobity  1.000  
156  156  m-70      -67.2   -35.3  Favored     ?     7  13.530    11  0.29    15  0.27  molprobity  1.000  
157  157  mt        -67.4   -58.1  Favored     ?    11  11.670     8  0.43    11  0.75  molprobity  1.000  
158  158  OUTLIER   -42.6   -41.2  Favored     ?    13   9.970     9  0.95    11  0.70  molprobity  1.000  
159  159  ?         -60.8   -40.2  Favored     ?     5   8.910     5  0.77     7  0.46  molprobity  1.000  
160  160  mt        -80.7   -40.9  Favored     ?    11   8.630     8  0.51    11  0.69  molprobity  1.000  
161  161  t        -143.9    99.1  Favored     ?     5  10.340     6  0.94     9  1.03  molprobity  1.000  
162  162  Cg_exo    -62.6   -19.8  Favored     ?     7  11.090     8  0.26    11  0.58  molprobity  1.000  
163  163  m-20      -69.5   -19.7  Favored     ?     4  11.160     8  0.47    11  0.76  molprobity  1.000  
164  164  m         -58.5   142.8  Favored     ?     9   9.570     7  0.55    10  0.69  molprobity  1.000  
165  165  mtmm      -88.5   129.9  Favored     ?    13  13.860     9  1.13    11  0.92  molprobity  1.000  
166  166  pt       -133.7   141.6  Favored     ?    11   7.810     8  0.37    11  0.63  molprobity  1.000  
167  167  m        -117.1   127.1  Favored     ?     7   8.530     7  0.38    10  0.54  molprobity  1.000  
168  168  m-30      -80.9   131.0  Favored     ?     9  10.250    13  0.96    18  0.72  molprobity  1.000  
169  169  mt        -98.7   127.9  Favored     ?    11   9.140     8  0.23    11  0.93  molprobity  1.000  
170  170  m-85     -106.5  -179.1  Favored     ?     9   8.100    12  0.94    16  0.74  molprobity  1.000  
171  171  m120       61.0    43.9  Favored     ?     6  11.300     8  0.46    11  0.49  molprobity  1.000  
172  172  t80       -45.8   -72.9  OUTLIER     ?     9  14.330    12  0.45    15  0.60  molprobity  1.000  
173  173  mtp      -110.2    53.5  Allowed     ?     9  11.700     8  0.77    10  1.05  molprobity  1.000  
174  174  ?          74.1    16.1  Favored     ?     3  13.650     4  0.35     5  0.47  molprobity  1.000  
175  175  mt-30     -62.9   133.6  Favored     ?     8  16.390     9  0.66    13  0.64  molprobity  1.000  
176  176  Cg_exo    -62.2   150.9  Favored     ?     7  14.700     8  0.50    11  0.58  molprobity  1.000  
177  177  m         -53.4   131.3  Favored     ?     7  13.030     7  0.53    11  0.81  molprobity  1.000  
178  178  Cg_endo   -76.2   156.4  Favored     ?     7  11.950     8  0.36    11  0.37  molprobity  1.000  
179  179  tp        -54.7   -44.3  Favored     ?    11  12.110     8  0.71    11  1.01  molprobity  1.000  
180  180  p-10      -82.1    18.6  Allowed     ?     4  12.810     8  0.64    11  1.10  molprobity  1.000  
181  181  p90       -58.3   -32.4  Favored     ?     9  13.490    12  0.96    16  0.52  molprobity  1.000  
182  182  t         -80.4   -36.9  Favored     ?     9  14.870     7  0.79    10  1.01  molprobity  1.000  
183  183  mt-10     -64.7   -39.6  Favored     ?     6  21.490     9  1.22    12  0.66  molprobity  1.000  
184  184  mt-30     -55.3   -50.1  Favored     ?     8  14.770     9  0.69    12  0.89  molprobity  1.000  
185  185  ?         -69.3   -36.2  Favored     ?     5  11.730     5  0.52     7  0.38  molprobity  1.000  
186  186  m         -69.9   -52.9  Favored     ?     5  11.480     6  0.78     8  0.80  molprobity  1.000  
187  187  t80       -49.4   -39.5  Favored     ?     9   9.490    13  1.07    18  0.87  molprobity  1.000  
188  188  ?         -86.7     2.8  Favored     ?     3  11.170     4  0.25     5  0.53  molprobity  1.000  
189  189  t0         62.8    29.3  Favored     ?     4  13.170     8  0.33    11  0.42  molprobity  1.000  
190  190  ?         -73.3   146.2  Favored     ?     5  15.470     5  0.39     7  0.41  molprobity  1.000  
191  191  p-10      -97.9   -13.2  Favored     ?     6  19.170     8  0.28    11  0.56  molprobity  1.000  
192  192  ?        -143.5   164.5  Favored     ?     3  14.780     4  0.17     5  0.78  molprobity  1.000  
193  193  m        -123.1   154.8  Favored     ?     9  13.720     7  0.70    10  0.96  molprobity  1.000  
194  194  t        -139.5   127.9  Favored     ?     5  15.030     5  0.43     5  0.57  molprobity  1.000  
195  195  OUTLIER  -129.8   149.8  Favored     ?     9  16.010     8  0.65    10  0.84  molprobity  1.000  
196  196  mp        -68.3   143.9  Favored     ?    11  12.720     8  0.58    11  1.14  molprobity  1.000  
197  197  t80       -59.4   -48.5  Favored     ?     9  12.140    12  0.75    16  0.32  molprobity  1.000  
198  198  t60       -59.9   -21.8  Favored     ?     7  17.750    11  0.38    15  0.65  molprobity  1.000  
199  199  m-85     -113.1    44.6  Allowed     ?     9  16.300    13  0.87    18  1.09  molprobity  1.000  
200  200  tp       -134.9   116.2  Favored     ?    11  15.840     8  0.56    11  1.14  molprobity  1.000  
201  201  m         -93.5   149.0  Favored     ?     7  16.720     7  0.55    10  1.00  molprobity  1.000  
202  202  OUTLIER   -46.4   -48.5  Favored     ?    13  20.140     9  2.27    11  0.74  molprobity  1.000  
203  203  tm-20     -64.7   -35.0  Favored     ?     6  20.410     9  1.13    12  0.80  molprobity  1.000  
204  204  mt-30     -63.7   -46.2  Favored     ?     8  17.700     9  0.70    12  0.41  molprobity  1.000  
205  205  t         -48.7   -42.4  Favored     ?     9  12.740     7  0.69    10  0.49  molprobity  1.000  
206  206  m         -67.3   -51.0  Favored     ?     5  12.700     6  1.69     8  1.33  molprobity  1.000  
207  207  m         -46.7   -53.5  Favored     ?     7  10.810     7  0.49    10  0.70  molprobity  1.000  
208  208  ?         -61.7   -39.3  Favored     ?     5   8.120     5  0.32     7  0.54  molprobity  1.000  
209  209  m170      -75.7   -31.2  Favored     ?     7   8.040    11  0.32    15  0.47  molprobity  1.000  
210  210  mt-10     -64.6   -27.9  Favored     ?     6  11.650     9  0.63    12  0.68  molprobity  1.000  
211  211  mmtt      -95.2    14.9  Favored     ?    13   9.010     9  0.57    11  0.60  molprobity  1.000  
212  212  ?          62.0    28.2  Favored     ?     3  10.060     4  0.73     5  0.43  molprobity  1.000  
213  213  mt        -94.8   148.3  Favored     ?    11  11.050     8  0.42    11  1.14  molprobity  1.000  
214  214  OUTLIER   -86.8   149.6  Favored     ?     5  11.600     6  0.30     8  0.33  molprobity  1.000  
215  215  t        -117.6   134.6  Favored     ?     9  11.330     7  0.76    10  0.87  molprobity  1.000  
216  216  m        -125.6   123.8  Favored     ?     7  11.720     7  0.47    10  0.57  molprobity  1.000  
217  217  t         -79.2   134.4  Favored     ?     9  13.110     7  0.71    10  0.88  molprobity  1.000  
218  218  t-105    -111.9   124.0  Favored     ?    10  13.350    15  0.53    20  0.41  molprobity  1.000  
219  219  mmt       -99.5   115.8  Favored     ?     9  11.910     8  0.44    11  0.67  molprobity  1.000  
220  220  Cg_exo    -58.2   157.5  Favored     ?     7  11.090     8  0.42    11  0.57  molprobity  1.000  
221  221  t-105     -59.1   -38.9  Favored     ?    10  11.770    16  0.72    23  0.30  molprobity  1.000  
222  222  tt        -50.5   -24.6  Favored     ?    11  12.830     8  1.03    11  0.50  molprobity  1.000  
223  223  t80      -107.6   121.7  Favored     ?     9  11.530    12  0.80    16  0.50  molprobity  1.000  
224  224  m-20      -89.3    94.6  Favored     ?     4  13.170     8  0.47    11  0.57  molprobity  1.000  
225  225  p-10      -69.7   134.1  Favored     ?     4  13.680     8  0.26    11  0.71  molprobity  1.000  
226  226  p        -130.7   174.6  Favored     ?     5  15.540     6  0.37     8  0.34  molprobity  1.000  
227  227  tt0       -43.6   -39.0  Favored     ?     6  17.920     9  0.43    12  0.50  molprobity  1.000  
228  228  tp10      -55.5   -36.5  Favored     ?     6  17.280     9  0.85    12  0.56  molprobity  1.000  
229  229  m-20      -81.5   -41.2  Favored     ?     4  13.120     8  0.46    11  0.62  molprobity  1.000  
230  230  m0        -59.1   -35.7  Favored     ?    10  10.360    16  0.49    23  0.56  molprobity  1.000  
231  231  OUTLIER   -57.2   -46.6  Favored     ?    13   9.880     9  0.50    11  0.43  molprobity  1.000  
232  232  tptm      -67.5   -44.3  Favored     ?    13  12.570     9  0.75    11  0.36  molprobity  1.000  
233  233  m         -46.0   -49.9  Favored     ?     5  10.800     6  0.58     8  0.70  molprobity  1.000  
234  234  mt        -60.0   -48.1  Favored     ?    11  10.430     8  0.35    11  1.20  molprobity  1.000  
235  235  mt-10     -49.7   -45.3  Favored     ?     6  12.850     9  1.02    12  0.63  molprobity  1.000  
236  236  mt        -63.6   -30.6  Favored     ?    11   9.830     8  0.36    11  0.83  molprobity  1.000  
237  237  mm100      69.6    34.0  Favored     ?     8  14.380     9  0.66    12  0.58  molprobity  1.000  
238  238  m         -60.7   160.0  Allowed     ?     9  10.840     7  0.35    10  0.69  molprobity  1.000  
239  239  m-20      -89.1   -35.4  Favored     ?     4  12.010     8  0.40    11  0.54  molprobity  1.000  
240  240  mp       -140.8   156.2  Favored     ?    11  10.990     8  0.64    11  1.16  molprobity  1.000  
241  241  mt       -131.9   116.8  Favored     ?    11  11.380     8  0.71    11  0.93  molprobity  1.000  
242  242  t         -87.6    94.2  Favored     ?     5  13.260     6  0.60     8  1.04  molprobity  1.000  
243  243  t         -97.6   146.1  Favored     ?     5  14.370     6  0.30     8  0.68  molprobity  1.000  
244  244  m-20      -86.9    -8.2  Favored     ?     6  15.280     8  0.35    11  0.25  molprobity  1.000  
245  245  m-85     -133.7    69.6  Favored     ?     9  13.350    13  0.96    19  0.73  molprobity  1.000  
246  246  Cg_endo   -57.0   -39.5  Favored     ?     7  13.500     8  0.70    11  0.39  molprobity  1.000  
247  247  m-30      -66.5   -39.0  Favored     ?     9  14.380    12  0.97    16  0.52  molprobity  1.000  
248  248  ?         -64.6   -42.5  Favored     ?     3  15.500     4  0.42     5  0.43  molprobity  1.000  
249  249  tp        -63.4   -46.4  Favored     ?    11  15.920     7  0.35     8  0.54  molprobity  1.000  
250  250  OUTLIER   -59.1   -47.5  Favored     ?     9  21.400     8  1.29    10  0.98  molprobity  1.000  
251  251  m-20      -59.1   -39.1  Favored     ?     6  16.430     8  0.37    11  0.34  molprobity  1.000  
252  252  t80       -58.2   -62.7  Allowed     ?     9  15.510    12  0.99    16  0.29  molprobity  1.000  
253  253  mt        -55.6   -25.4  Favored     ?    11  14.930     8  0.41    11  1.00  molprobity  1.000  
254  254  OUTLIER   -37.9   -46.8  Allowed     ?     5  16.940     6  0.56     8  0.96  molprobity  1.000  
255  255  m120          ?       ?  ?           ?     6  16.840     7  0.47     8  0.33  molprobity  1.000  
256  256  ?             ?       ?  ?           ?     ?  31.350     4  0.19     6  0.49  mogul       0.750  
257  257  ?             ?       ?  ?           ?     ?  29.980     4  0.13     6  0.08  mogul       0.750  
258  258  ?             ?       ?  ?           ?     ?  48.640     4  0.14     6  0.46  mogul       0.750  
259  259  ?             ?       ?  ?           ?     ?  28.460     ?     ?     ?     ?  ?           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    8  HD12   1  0.90  1.54  
  2    8  HD12   2  0.51  2.36  
  3    8  HD11   3  0.73  1.70  
  4    8  HD11   4  0.52  2.39  
  5    8  CD1    5  0.61  2.28  
  6   11  O      6  0.48  2.14  
  7   15  HA2    6  0.48  2.14  
  8   21  HG3    7  0.42  2.02  
  9   24  HG22   8  0.42  2.01  
 10   27  HG3    9  0.99  1.97  
 11   27  HD3   10  0.74  2.02  
 12   27  H     11  0.50  2.25  
 13   27  CD    11  0.50  2.25  
 14   27  CD    12  0.49  2.67  
 15   27  CG    13  0.40  2.86  
 16   28  HB2    8  0.42  2.01  
 17   33  HE2   14  0.98  1.42  
 18   33  CE    15  0.89  2.02  
 19   33  HE1   16  0.46  1.95  
 20   37  HG13  17  0.49  2.12  
 21   37  O     17  0.49  2.12  
 22   39  CE2   18  0.44  2.52  
 23   45  NH1   19  0.65  2.29  
 24   45  HD2   20  0.52  2.09  
 25   46  HG21  21  0.45  2.17  
 26   47  HB2   22  0.43  2.18  
 27   51  HG3   23  0.61  1.83  
 28   55  CD1   24  0.62  2.35  
 29   55  O     20  0.52  2.09  
 30   56  O     19  0.65  2.29  
 31   66  OH    25  0.45  2.17  
 32   67  HE3   25  0.45  2.17  
 33   68  HB2   26  0.95  1.45  
 34   70  HB    26  0.95  1.45  
 35   73  HD11  24  0.62  2.35  
 36   76  O     22  0.43  2.18  
 37   78  HD22  23  0.61  1.83  
 38   83  O     27  0.43  2.18  
 39   84  HD23  27  0.43  2.18  
 40   87  HA3    7  0.42  2.02  
 41   90  CD2    9  0.99  1.97  
 42   90  CD2   13  0.40  2.86  
 43  102  CG2   28  0.41  2.51  
 44  105  HG2   14  0.98  1.42  
 45  105  HG2   15  0.89  2.02  
 46  105  HG2   16  0.46  1.95  
 47  105  HE21  29  0.82  1.26  
 48  105  HE21  30  0.52  2.02  
 49  105  NE2   31  0.65  1.93  
 50  105  HG3   32  0.58  2.17  
 51  105  HG3   33  0.52  1.75  
 52  105  CG    34  0.41  2.82  
 53  106  H     29  0.82  1.26  
 54  106  H     31  0.65  1.93  
 55  106  N     32  0.58  2.17  
 56  106  N     30  0.52  2.02  
 57  106  N     34  0.41  2.82  
 58  107  H     33  0.52  1.75  
 59  108  OD1   35  0.50  2.11  
 60  108  HA    36  0.43  2.34  
 61  110  HB2   18  0.44  2.52  
 62  115  HB3   37  0.42  2.53  
 63  116  HD3   38  0.46  2.15  
 64  117  HA2   39  0.72  1.54  
 65  117  HA2   40  0.63  2.34  
 66  117  CA    41  0.60  2.14  
 67  119  CD    42  0.47  2.19  
 68  120  HD1   39  0.72  1.54  
 69  120  HD1   41  0.60  2.14  
 70  120  CD1   40  0.63  2.34  
 71  120  CG    37  0.42  2.53  
 72  121  HE2   43  0.51  2.09  
 73  122  HH21  42  0.47  2.19  
 74  124  HG3   44  0.45  2.32  
 75  124  HG3   45  0.41  1.85  
 76  126  N     44  0.45  2.32  
 77  126  H     45  0.41  1.85  
 78  127  OD2   21  0.45  2.17  
 79  128  HB3   46  0.51  1.93  
 80  137  HD3   47  0.41  2.55  
 81  138  CE1   47  0.41  2.55  
 82  139  HA    48  0.47  2.14  
 83  140  HE1   28  0.41  2.51  
 84  141  OE1   48  0.47  2.14  
 85  143  HD3   35  0.50  2.11  
 86  143  NH1   36  0.43  2.34  
 87  148  O     49  0.61  2.00  
 88  157  HD23  46  0.51  1.93  
 89  158  HE3   50  0.42  2.19  
 90  162  O     50  0.42  2.19  
 91  165  HB3   51  0.44  1.75  
 92  165  HE2   51  0.44  1.75  
 93  166  HG13  52  0.49  1.93  
 94  169  HB2   49  0.61  2.00  
 95  171  HA    53  0.45  2.16  
 96  173  H     54  0.49  1.77  
 97  175  HG3   54  0.49  1.77  
 98  175  O     53  0.45  2.16  
 99  181  CZ    55  0.48  2.48  
100  181  CE1   56  0.48  2.48  
101  182  HG23  55  0.48  2.48  
102  182  HG23  56  0.48  2.48  
103  182  HG21  57  0.45  1.98  
104  190  HA    52  0.49  1.93  
105  195  HG3   58  0.73  1.70  
106  195  HE3   59  0.45  1.82  
107  195  HB3   59  0.45  1.82  
108  200  HD13  58  0.73  1.70  
109  201  HG22  60  0.58  1.68  
110  202  NZ    61  0.50  2.27  
111  202  HB3   61  0.50  2.27  
112  203  H     60  0.58  1.68  
113  207  HG22  57  0.45  1.98  
114  217  CG2   62  0.67  2.24  
115  217  HG23  63  0.60  1.84  
116  220  HB2   64  0.48  1.96  
117  222  HG22  64  0.48  1.96  
118  223  O     65  0.52  2.43  
119  227  HG3   66  0.41  2.56  
120  238  HG11  62  0.67  2.24  
121  238  HG11  63  0.60  1.84  
122  244  ND2   65  0.52  2.43  
123  249  HG     1  0.90  1.54  
124  249  HG     5  0.61  2.28  
125  249  CG     2  0.51  2.36  
126  251  O     67  0.76  1.85  
127  252  CD1   66  0.41  2.56  
128  253  HD12   3  0.73  1.70  
129  253  CD1    4  0.52  2.39  
130  254  HB2   67  0.76  1.85  
131  257  O2    38  0.46  2.15  
132  258  O4    43  0.51  2.09  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.omega
1  116  peptide  -140.81  
2  123  peptide  -131.00  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  202
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       CE
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       NZ
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.627
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.486
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.025
_pdbx_vrpt_instance_intra_bond_outliers.Z            5.63
#
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   6  0.590  0.480   4.037  
  2    2   9  0.787  0.333   0.898  
  3    3   7  0.964  0.201  -0.026  
  4    4   8  0.952  0.225   0.159  
  5    5   8  0.944  0.234   0.270  
  6    6   7  0.978  0.124  -0.764  
  7    7   9  0.954  0.210  -0.337  
  8    8   8  0.962  0.198  -0.172  
  9    9   7  0.972  0.174  -0.358  
 10   10   4  0.978  0.121  -0.614  
 11   11  10  0.957  0.138  -0.679  
 12   12  11  0.973  0.151  -0.796  
 13   13   4  0.964  0.118  -0.649  
 14   14   7  0.980  0.196  -0.087  
 15   15   4  0.961  0.138  -0.415  
 16   16   9  0.954  0.264   0.205  
 17   17   9  0.941  0.190  -0.380  
 18   18   4  0.856  0.236   0.733  
 19   19   8  0.938  0.216   0.011  
 20   20   5  0.972  0.120  -0.788  
 21   21   7  0.959  0.185   0.017  
 22   22   9  0.951  0.176  -0.534  
 23   23   8  0.971  0.163  -0.352  
 24   24   7  0.958  0.180  -0.050  
 25   25   8  0.943  0.157  -0.705  
 26   26  19  0.853  0.269   0.455  
 27   27  19  0.853  0.269   0.455  
 28   28   6  0.978  0.121  -0.756  
 29   29  11  0.960  0.145  -0.764  
 30   30   7  0.972  0.175  -0.346  
 31   31   8  0.984  0.159  -0.681  
 32   32   6  0.979  0.162   0.041  
 33   33   8  0.881  0.202       ?  
 34   34   9  0.948  0.144  -0.885  
 35   35  11  0.950  0.132  -0.998  
 36   36   8  0.869  0.242   0.686  
 37   37   8  0.966  0.218   0.074  
 38   38   7  0.976  0.190   0.081  
 39   39  12  0.973  0.162  -0.477  
 40   40   8  0.982  0.179  -0.404  
 41   41   9  0.965  0.130  -1.038  
 42   42   7  0.977  0.151  -0.445  
 43   43   8  0.956  0.161  -0.388  
 44   44   8  0.974  0.171  -0.535  
 45   45  11  0.962  0.164  -0.659  
 46   46   7  0.954  0.153  -0.616  
 47   47   6  0.934  0.161   0.025  
 48   48   9  0.903  0.283   0.396  
 49   49   7  0.950  0.158  -0.350  
 50   50   4  0.902  0.219   0.534  
 51   51   9  0.834  0.188  -0.402  
 52   52   8  0.959  0.184  -0.343  
 53   53   7  0.969  0.236   0.405  
 54   54   8  0.966  0.209  -0.074  
 55   55  11  0.965  0.215   0.074  
 56   56  10  0.962  0.184  -0.078  
 57   57   4  0.936  0.200   0.311  
 58   58   7  0.931  0.197   0.181  
 59   59   7  0.957  0.121  -0.803  
 60   60   9  0.815  0.280   0.606  
 61   61   4  0.882  0.186   0.148  
 62   62   7  0.919  0.283   1.351  
 63   63   8  0.946  0.212   0.000  
 64   64   7  0.942  0.254   0.900  
 65   65  11  0.867  0.291   0.984  
 66   66  12  0.851  0.343   1.889  
 67   67   9  0.821  0.221  -0.227  
 68   68   8  0.837  0.236   0.544  
 69   69   4  0.943  0.267   1.096  
 70   70   7  0.871  0.182  -0.023  
 71   71   6  0.871  0.185   0.099  
 72   72  11  0.795  0.364   1.462  
 73   73   8  0.955  0.198  -0.172  
 74   74   4  0.939  0.165  -0.098  
 75   75   8  0.845  0.367   2.171  
 76   76   8  0.939  0.294   0.958  
 77   77   6  0.915  0.326   1.981  
 78   78   8  0.868  0.478   3.191  
 79   79   9  0.845  0.389   1.802  
 80   80   9  0.930  0.229   0.047  
 81   81   8  0.941  0.209  -0.074  
 82   82   9  0.898  0.245   0.014  
 83   83  11  0.758  0.375   1.579  
 84   84   8  0.883  0.220   0.059  
 85   85   8  0.839  0.273   1.004  
 86   86   7  0.863  0.287   1.032  
 87   87   4  0.911  0.257   0.979  
 88   88   4  0.838  0.318   1.693  
 89   89   4  0.763  0.197   0.276  
 90   90  10  0.912  0.202   0.157  
 91   91   7  0.921  0.205   0.290  
 92   92   8  0.945  0.209  -0.037  
 93   93   7  0.970  0.139  -0.572  
 94   94   6  0.964  0.131  -0.622  
 95   95   8  0.964  0.192  -0.280  
 96   96   9  0.896  0.215  -0.106  
 97   97   9  0.936  0.190  -0.380  
 98   98   8  0.966  0.147  -0.826  
 99   99  11  0.958  0.190  -0.225  
100  100   7  0.952  0.197  -0.075  
101  101   5  0.955  0.123  -0.751  
102  102   8  0.938  0.173  -0.478  
103  103   9  0.913  0.251   0.288  
104  104   9  0.877  0.285   0.661  
105  105   9  0.879  0.183  -0.335  
106  106   9  0.947  0.219  -0.247  
107  107  11  0.958  0.162  -0.560  
108  108   8  0.962  0.186  -0.050  
109  109   8  0.983  0.168  -0.572  
110  110   9  0.961  0.187  -0.568  
111  111   8  0.955  0.151  -0.778  
112  112   8  0.975  0.146  -0.576  
113  113   8  0.964  0.175  -0.487  
114  114   9  0.908  0.189  -0.391  
115  115   8  0.948  0.199  -0.195  
116  116   9  0.959  0.189  -0.548  
117  117   4  0.891  0.212   0.452  
118  118   9  0.852  0.241   0.179  
119  119   9  0.833  0.201  -0.260  
120  120  14  0.968  0.185  -0.123  
121  121   9  0.940  0.175  -0.689  
122  122  11  0.883  0.302   0.805  
123  123   9  0.877  0.355   1.118  
124  124   9  0.832  0.244   0.212  
125  125   6  0.913  0.217   0.526  
126  126   4  0.964  0.128  -0.532  
127  127   8  0.949  0.158  -0.425  
128  128  10  0.975  0.163  -0.352  
129  129   9  0.883  0.264   0.631  
130  130  11  0.912  0.325   1.049  
131  131   8  0.971  0.158  -0.693  
132  132   8  0.971  0.168  -0.572  
133  133   8  0.950  0.225   0.120  
134  134   8  0.952  0.169  -0.559  
135  135   7  0.973  0.151  -0.641  
136  136   9  0.867  0.227   0.025  
137  137   9  0.950  0.220  -0.237  
138  138  12  0.972  0.135  -0.830  
139  139  10  0.969  0.143  -0.614  
140  140   8  0.932  0.184       ?  
141  141   9  0.931  0.158  -0.633  
142  142   9  0.848  0.218  -0.073  
143  143  11  0.935  0.205  -0.224  
144  144   7  0.930  0.213   0.122  
145  145   8  0.967  0.144  -0.599  
146  146  12  0.956  0.142  -0.739  
147  147   6  0.980  0.150  -0.148  
148  148   6  0.975  0.183   0.072  
149  149  11  0.972  0.158  -0.608  
150  150  10  0.966  0.169  -0.274  
151  151  10  0.962  0.188  -0.026  
152  152   9  0.912  0.248   0.255  
153  153   5  0.971  0.144  -0.491  
154  154   8  0.971  0.203  -0.147  
155  155   5  0.985  0.186   0.028  
156  156  10  0.942  0.240   0.653  
157  157   8  0.965  0.253   0.460  
158  158   9  0.950  0.173  -0.709  
159  159   5  0.965  0.117  -0.825  
160  160   8  0.970  0.172  -0.523  
161  161   6  0.965  0.147  -0.196  
162  162   7  0.976  0.148  -0.457  
163  163   8  0.935  0.166  -0.325  
164  164   7  0.977  0.136  -0.825  
165  165   9  0.930  0.209  -0.347  
166  166   8  0.982  0.166  -0.564  
167  167   7  0.980  0.142  -0.567  
168  168  12  0.975  0.175  -0.307  
169  169   8  0.974  0.152  -0.766  
170  170  11  0.981  0.139  -0.836  
171  171   8  0.977  0.128  -0.812  
172  172  12  0.946  0.214   0.203  
173  173   8  0.945  0.192       ?  
174  174   4  0.980  0.132  -0.485  
175  175   9  0.958  0.151  -0.716  
176  176   7  0.977  0.119  -0.828  
177  177   7  0.970  0.120  -0.867  
178  178   7  0.987  0.139  -0.572  
179  179   8  0.970  0.132  -1.008  
180  180   8  0.967  0.158  -0.425  
181  181  11  0.979  0.145  -0.764  
182  182   7  0.978  0.152  -0.629  
183  183   9  0.898  0.233   0.091  
184  184   9  0.977  0.145  -0.788  
185  185   5  0.982  0.176  -0.095  
186  186   6  0.967  0.126  -0.527  
187  187  12  0.969  0.135  -0.830  
188  188   4  0.979  0.137  -0.426  
189  189   8  0.978  0.134  -0.723  
190  190   5  0.974  0.168  -0.194  
191  191   8  0.955  0.135  -0.720  
192  192   4  0.982  0.141  -0.379  
193  193   7  0.978  0.148  -0.678  
194  194   6  0.975  0.134  -0.582  
195  195   8  0.931  0.183       ?  
196  196   8  0.968  0.140  -0.911  
197  197  11  0.953  0.219   0.122  
198  198  10  0.905  0.252   0.809  
199  199  12  0.925  0.167  -0.412  
200  200   8  0.948  0.165  -0.608  
201  201   7  0.954  0.195   0.154  
202  202   9  0.855  0.366   1.229  
203  203   9  0.870  0.267   0.464  
204  204   9  0.950  0.163  -0.573  
205  205   7  0.980  0.164  -0.481  
206  206   6  0.951  0.141  -0.290  
207  207   7  0.968  0.188   0.059  
208  208   5  0.984  0.125  -0.726  
209  209  10  0.983  0.140  -0.653  
210  210   9  0.929  0.246   0.234  
211  211   9  0.975  0.183  -0.608  
212  212   4  0.985  0.128  -0.532  
213  213   8  0.976  0.186  -0.353  
214  214   6  0.945  0.167  -0.142  
215  215   7  0.982  0.172  -0.383  
216  216   7  0.960  0.131  -0.717  
217  217   7  0.970  0.167  -0.444  
218  218  14  0.959  0.136  -0.810  
219  219   8  0.957  0.147       ?  
220  220   7  0.981  0.140  -0.560  
221  221  14  0.951  0.172  -0.305  
222  222   8  0.958  0.241   0.355  
223  223  11  0.971  0.177  -0.381  
224  224   8  0.952  0.166  -0.325  
225  225   8  0.965  0.140  -0.648  
226  226   6  0.931  0.237   0.793  
227  227   9  0.898  0.274   0.541  
228  228   9  0.892  0.227   0.025  
229  229   8  0.956  0.139  -0.661  
230  230  14  0.982  0.162  -0.445  
231  231   9  0.966  0.258   0.145  
232  232   9  0.925  0.266   0.225  
233  233   6  0.967  0.139  -0.322  
234  234   8  0.970  0.199  -0.195  
235  235   9  0.902  0.312   0.957  
236  236   8  0.966  0.165  -0.608  
237  237   9  0.960  0.228   0.201  
238  238   7  0.958  0.159  -0.542  
239  239   8  0.951  0.131  -0.760  
240  240   8  0.976  0.190  -0.305  
241  241   8  0.976  0.157  -0.674  
242  242   6  0.965  0.122  -0.590  
243  243   6  0.986  0.156  -0.288  
244  244   8  0.946  0.188  -0.024  
245  245  12  0.952  0.199   0.007  
246  246   7  0.974  0.130  -0.688  
247  247  11  0.936  0.184  -0.297  
248  248   4  0.974  0.127  -0.543  
249  249   8  0.967  0.173  -0.511  
250  250   8  0.807  0.242       ?  
251  251   8  0.962  0.143  -0.615  
252  252  11  0.957  0.246   0.446  
253  253   8  0.954  0.162  -0.644  
254  254   6  0.928  0.158  -0.262  
255  255   8  0.965  0.133  -0.746  
256  256   5  0.967  0.223       ?  
257  257   5  0.982  0.133       ?  
258  258   5  0.931  0.209       ?  
259  259   1  0.747  0.343       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  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  
##
