data_6RXI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6RXI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6RXI
_pdbx_vrpt_summary.PDB_deposition_date         2019-06-08
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-12-13
_pdbx_vrpt_summary.report_creation_date        2023-12-07:05:34
_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      "Lysozyme C"  
2  non-polymer  DI(HYDROXYETHYL)ETHER  
3  non-polymer  "SODIUM ION"  
4  non-polymer  "CHLORIDE ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
E  4  
F  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.0  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   92.45  141614     ?     ?  
 2  2  1   93.67    9178  2.00  2.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    9054  2.00  2.00  
 5  1  3   56.63  138945     ?     ?  
 6  2  3   60.54    9053  2.00  2.00  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    7900  2.00  2.00  
 9  1  5   77.02  130704     ?     ?  
10  2  5   85.16    8085  2.00  2.00  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   58.54  
4  6  3  A  1  1  A   62.59  
5  7  4  A  1  1  A  100.00  
6  8  4  A  1  1  A  100.00  
#
_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      0.83
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.76
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1069
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1440
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.90
_pdbx_vrpt_summary_geometry.clashscore                     1.45
_pdbx_vrpt_summary_geometry.num_H_reduce                   1028
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1069
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.76
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1440
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.83
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 74.137
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            46.351
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         38.664
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.80(2.00A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8841
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.369
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.311
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.472
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.302
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.968
_pdbx_vrpt_summary_diffraction.DCC_R                     0.17
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.17
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.00
_pdbx_vrpt_summary_diffraction.EDS_res_low               56.36
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.814,38.814,38.394,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.011
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.18% 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         100.00
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      404
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.57
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        56.36
_pdbx_vrpt_summary_diffraction.PDB_R                     0.16
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.20
#
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_torsion_outliers
  1  1  1  A    1  LYS  A    1  A  ?        ?     ?  
  2  1  1  A    1  LYS  A    1  B  ?        ?     ?  
  3  1  1  A    2  VAL  A    2  .  ?        ?     ?  
  4  1  1  A    3  PHE  A    3  .  ?        ?     ?  
  5  1  1  A    4  GLY  A    4  .  ?        ?     ?  
  6  1  1  A    5  ARG  A    5  .  ?        ?     ?  
  7  1  1  A    6  CYS  A    6  .  ?        ?     ?  
  8  1  1  A    7  GLU  A    7  .  ?        ?     ?  
  9  1  1  A    8  LEU  A    8  .  ?        ?     ?  
 10  1  1  A    9  ALA  A    9  .  ?        ?     ?  
 11  1  1  A   10  ALA  A   10  .  ?        ?     ?  
 12  1  1  A   11  ALA  A   11  .  ?        ?     ?  
 13  1  1  A   12  MET  A   12  .  ?        ?     ?  
 14  1  1  A   13  LYS  A   13  .  ?        ?     ?  
 15  1  1  A   14  ARG  A   14  A  ?        ?     ?  
 16  1  1  A   14  ARG  A   14  B  ?        ?     ?  
 17  1  1  A   15  HIS  A   15  .  ?        1     ?  
 18  1  1  A   16  GLY  A   16  .  ?        ?     ?  
 19  1  1  A   17  LEU  A   17  .  ?        ?     ?  
 20  1  1  A   18  ASP  A   18  .  ?        ?     ?  
 21  1  1  A   19  ASN  A   19  A  ?        ?     ?  
 22  1  1  A   19  ASN  A   19  B  ?        ?     ?  
 23  1  1  A   20  TYR  A   20  .  ?        ?     ?  
 24  1  1  A   21  ARG  A   21  .  ?        ?     ?  
 25  1  1  A   22  GLY  A   22  .  ?        ?     ?  
 26  1  1  A   23  TYR  A   23  .  ?        ?     ?  
 27  1  1  A   24  SER  A   24  .  ?        ?     ?  
 28  1  1  A   25  LEU  A   25  .  ?        ?     ?  
 29  1  1  A   26  GLY  A   26  .  ?        ?     ?  
 30  1  1  A   27  ASN  A   27  .  ?        ?     ?  
 31  1  1  A   28  TRP  A   28  .  ?        ?     ?  
 32  1  1  A   29  VAL  A   29  .  ?        ?     ?  
 33  1  1  A   30  CYS  A   30  .  ?        ?     ?  
 34  1  1  A   31  ALA  A   31  .  ?        ?     ?  
 35  1  1  A   32  ALA  A   32  .  ?        ?     ?  
 36  1  1  A   33  LYS  A   33  .  ?        ?     ?  
 37  1  1  A   34  PHE  A   34  .  ?        ?     ?  
 38  1  1  A   35  GLU  A   35  .  ?        ?     ?  
 39  1  1  A   36  SER  A   36  .  ?        ?     ?  
 40  1  1  A   37  ASN  A   37  .  ?        ?     ?  
 41  1  1  A   38  PHE  A   38  .  ?        ?     ?  
 42  1  1  A   39  ASN  A   39  .  ?        ?     ?  
 43  1  1  A   40  THR  A   40  .  ?        ?     ?  
 44  1  1  A   41  GLN  A   41  .  ?        ?     ?  
 45  1  1  A   42  ALA  A   42  .  ?        ?     ?  
 46  1  1  A   43  THR  A   43  .  ?        ?     ?  
 47  1  1  A   44  ASN  A   44  .  ?        ?     ?  
 48  1  1  A   45  ARG  A   45  .  ?        ?     ?  
 49  1  1  A   46  ASN  A   46  .  ?        ?     ?  
 50  1  1  A   47  THR  A   47  .  ?        ?     ?  
 51  1  1  A   48  ASP  A   48  .  ?        ?     ?  
 52  1  1  A   49  GLY  A   49  .  ?        ?     ?  
 53  1  1  A   50  SER  A   50  .  ?        ?     ?  
 54  1  1  A   51  THR  A   51  .  ?        ?     ?  
 55  1  1  A   52  ASP  A   52  .  ?        ?     ?  
 56  1  1  A   53  TYR  A   53  .  ?        ?     ?  
 57  1  1  A   54  GLY  A   54  .  ?        ?     ?  
 58  1  1  A   55  ILE  A   55  .  ?        ?     ?  
 59  1  1  A   56  LEU  A   56  .  ?        ?     ?  
 60  1  1  A   57  GLN  A   57  .  ?        ?     ?  
 61  1  1  A   58  ILE  A   58  .  ?        ?     ?  
 62  1  1  A   59  ASN  A   59  .  ?        ?     ?  
 63  1  1  A   60  SER  A   60  .  ?        ?     ?  
 64  1  1  A   61  ARG  A   61  .  ?        ?     ?  
 65  1  1  A   62  TRP  A   62  .  ?        ?     ?  
 66  1  1  A   63  TRP  A   63  .  ?        1     ?  
 67  1  1  A   64  CYS  A   64  .  ?        ?     ?  
 68  1  1  A   65  ASN  A   65  .  ?        ?     ?  
 69  1  1  A   66  ASP  A   66  .  ?        ?     ?  
 70  1  1  A   67  GLY  A   67  .  ?        ?     ?  
 71  1  1  A   68  ARG  A   68  .  ?        ?     ?  
 72  1  1  A   69  THR  A   69  .  ?        ?     ?  
 73  1  1  A   70  PRO  A   70  .  ?        ?     ?  
 74  1  1  A   71  GLY  A   71  .  ?        ?     ?  
 75  1  1  A   72  SER  A   72  .  ?        ?     ?  
 76  1  1  A   73  ARG  A   73  .  ?        ?     ?  
 77  1  1  A   74  ASN  A   74  .  ?        ?     ?  
 78  1  1  A   75  LEU  A   75  .  ?        ?     ?  
 79  1  1  A   76  CYS  A   76  .  ?        ?     ?  
 80  1  1  A   77  ASN  A   77  .  ?        ?     ?  
 81  1  1  A   78  ILE  A   78  .  ?        ?     ?  
 82  1  1  A   79  PRO  A   79  .  ?        ?     ?  
 83  1  1  A   80  CYS  A   80  .  ?        ?     ?  
 84  1  1  A   81  SER  A   81  .  ?        ?     ?  
 85  1  1  A   82  ALA  A   82  .  ?        ?     ?  
 86  1  1  A   83  LEU  A   83  .  ?        ?     ?  
 87  1  1  A   84  LEU  A   84  .  ?        ?     ?  
 88  1  1  A   85  SER  A   85  .  ?        ?     ?  
 89  1  1  A   86  SER  A   86  .  ?        ?     ?  
 90  1  1  A   87  ASP  A   87  .  ?        ?     ?  
 91  1  1  A   88  ILE  A   88  .  ?        ?     ?  
 92  1  1  A   89  THR  A   89  .  ?        ?     ?  
 93  1  1  A   90  ALA  A   90  .  ?        ?     ?  
 94  1  1  A   91  SER  A   91  .  ?        ?     ?  
 95  1  1  A   92  VAL  A   92  .  ?        1     ?  
 96  1  1  A   93  ASN  A   93  .  ?        1     ?  
 97  1  1  A   94  CYS  A   94  .  ?        ?     ?  
 98  1  1  A   95  ALA  A   95  .  ?        ?     ?  
 99  1  1  A   96  LYS  A   96  .  ?        ?     ?  
100  1  1  A   97  LYS  A   97  A  ?        ?     ?  
101  1  1  A   97  LYS  A   97  B  ?        1     ?  
102  1  1  A   98  ILE  A   98  .  ?        1     ?  
103  1  1  A   99  VAL  A   99  .  ?        ?     ?  
104  1  1  A  100  SER  A  100  .  ?        ?     ?  
105  1  1  A  101  ASP  A  101  .  ?        ?     ?  
106  1  1  A  102  GLY  A  102  .  ?        ?     ?  
107  1  1  A  103  ASN  A  103  .  ?        ?     ?  
108  1  1  A  104  GLY  A  104  .  ?        ?     ?  
109  1  1  A  105  MET  A  105  .  ?        ?     ?  
110  1  1  A  106  ASN  A  106  .  ?        ?     ?  
111  1  1  A  107  ALA  A  107  .  ?        ?     ?  
112  1  1  A  108  TRP  A  108  .  ?        ?     ?  
113  1  1  A  109  VAL  A  109  .  ?        ?     ?  
114  1  1  A  110  ALA  A  110  .  ?        ?     ?  
115  1  1  A  111  TRP  A  111  .  ?        ?     ?  
116  1  1  A  112  ARG  A  112  .  ?        ?     ?  
117  1  1  A  113  ASN  A  113  .  ?        ?     ?  
118  1  1  A  114  ARG  A  114  .  ?        ?     ?  
119  1  1  A  115  CYS  A  115  .  ?        ?     ?  
120  1  1  A  116  LYS  A  116  .  ?        ?     ?  
121  1  1  A  117  GLY  A  117  .  ?        ?     ?  
122  1  1  A  118  THR  A  118  .  ?        ?     ?  
123  1  1  A  119  ASP  A  119  .  ?        ?     ?  
124  1  1  A  120  VAL  A  120  .  ?        ?     ?  
125  1  1  A  121  GLN  A  121  .  ?        ?     ?  
126  1  1  A  122  ALA  A  122  .  ?        ?     ?  
127  1  1  A  123  TRP  A  123  .  ?        ?     ?  
128  1  1  A  124  ILE  A  124  .  ?        ?     ?  
129  1  1  A  125  ARG  A  125  A  ?        ?     ?  
130  1  1  A  125  ARG  A  125  B  ?        ?     ?  
131  1  1  A  126  GLY  A  126  .  ?        ?     ?  
132  1  1  A  127  CYS  A  127  .  ?        ?     ?  
133  1  1  A  128  ARG  A  128  .  ?        ?     ?  
134  1  1  A  129  LEU  A  129  .  ?        ?     ?  
135  1  2  B    .  PEG  A  201  .  ?        ?     1  
136  1  2  C    .  PEG  A  202  .  ?        ?     1  
137  1  3  D    .  NA   A  203  .  ?        ?     ?  
138  1  4  E    .  CL   A  204  .  ?        ?     ?  
139  1  5  F    .  HOH  A  301  .  ?        ?     ?  
140  1  5  F    .  HOH  A  302  .  ?        ?     ?  
141  1  5  F    .  HOH  A  303  .  ?        ?     ?  
142  1  5  F    .  HOH  A  304  .  ?        ?     ?  
143  1  5  F    .  HOH  A  305  .  ?        ?     ?  
144  1  5  F    .  HOH  A  306  .  ?        ?     ?  
145  1  5  F    .  HOH  A  307  .  ?        ?     ?  
146  1  5  F    .  HOH  A  308  .  ?        ?     ?  
147  1  5  F    .  HOH  A  309  .  ?        ?     ?  
148  1  5  F    .  HOH  A  310  .  ?        ?     ?  
149  1  5  F    .  HOH  A  311  .  ?        ?     ?  
150  1  5  F    .  HOH  A  312  .  ?        ?     ?  
151  1  5  F    .  HOH  A  313  .  ?        ?     ?  
152  1  5  F    .  HOH  A  314  .  ?        ?     ?  
153  1  5  F    .  HOH  A  315  .  ?        ?     ?  
154  1  5  F    .  HOH  A  316  .  ?        ?     ?  
155  1  5  F    .  HOH  A  317  .  ?        ?     ?  
156  1  5  F    .  HOH  A  318  .  ?        ?     ?  
157  1  5  F    .  HOH  A  319  .  ?        ?     ?  
158  1  5  F    .  HOH  A  320  .  ?        ?     ?  
159  1  5  F    .  HOH  A  321  .  ?        ?     ?  
160  1  5  F    .  HOH  A  322  .  ?        ?     ?  
161  1  5  F    .  HOH  A  323  .  ?        ?     ?  
162  1  5  F    .  HOH  A  324  .  ?        ?     ?  
163  1  5  F    .  HOH  A  325  .  ?        ?     ?  
164  1  5  F    .  HOH  A  326  .  ?        ?     ?  
165  1  5  F    .  HOH  A  327  .  ?        ?     ?  
166  1  5  F    .  HOH  A  328  .  ?        ?     ?  
167  1  5  F    .  HOH  A  329  .  ?        ?     ?  
168  1  5  F    .  HOH  A  330  .  ?        ?     ?  
169  1  5  F    .  HOH  A  331  .  ?        ?     ?  
170  1  5  F    .  HOH  A  332  .  ?        ?     ?  
171  1  5  F    .  HOH  A  333  .  ?        ?     ?  
172  1  5  F    .  HOH  A  334  .  ?        ?     ?  
173  1  5  F    .  HOH  A  335  .  ?        ?     ?  
174  1  5  F    .  HOH  A  336  .  ?        ?     ?  
175  1  5  F    .  HOH  A  337  .  ?        ?     ?  
176  1  5  F    .  HOH  A  338  .  ?        ?     ?  
177  1  5  F    .  HOH  A  339  .  ?        ?     ?  
178  1  5  F    .  HOH  A  340  .  ?        ?     ?  
179  1  5  F    .  HOH  A  341  .  ?        ?     ?  
180  1  5  F    .  HOH  A  342  .  ?        ?     ?  
181  1  5  F    .  HOH  A  343  .  ?        ?     ?  
182  1  5  F    .  HOH  A  344  .  ?        ?     ?  
183  1  5  F    .  HOH  A  345  .  ?        ?     ?  
184  1  5  F    .  HOH  A  346  .  ?        ?     ?  
185  1  5  F    .  HOH  A  347  .  ?        ?     ?  
186  1  5  F    .  HOH  A  348  .  ?        ?     ?  
187  1  5  F    .  HOH  A  349  .  ?        ?     ?  
#
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  tttt          ?       ?  ?           ?    15  38.300     9  0.95    11  0.75  molprobity  1.000  
  2    2  tttt          ?       ?  ?           ?    15  38.300     9  0.95    11  0.75  molprobity  1.000  
  3    3  t        -101.4   110.1  Favored     ?     9  38.950     7  0.57    10  0.80  molprobity  1.000  
  4    4  m-85      -76.6   146.6  Favored     ?     9  37.310    12  0.57    16  0.62  molprobity  1.000  
  5    5  ?         -70.3   159.0  Favored     ?     3  38.490     4  1.34     5  0.79  molprobity  1.000  
  6    6  ttp85     -59.7   -57.5  Favored     ?    13  40.710    11  0.71    14  1.77  molprobity  1.000  
  7    7  m         -69.1   -36.4  Favored     ?     4  37.950     6  0.89     8  0.56  molprobity  1.000  
  8    8  tt0       -57.8   -45.3  Favored     ?     6  41.270     9  0.63    12  0.43  molprobity  1.000  
  9    9  tp        -69.9   -45.9  Favored     ?    11  35.170     8  0.64    11  0.56  molprobity  1.000  
 10   10  ?         -49.2   -45.2  Favored     ?     5  33.030     5  0.61     7  0.53  molprobity  1.000  
 11   11  ?         -68.3   -43.1  Favored     ?     5  38.000     5  0.57     7  0.87  molprobity  1.000  
 12   12  ?         -64.1   -39.7  Favored     ?     5  35.660     5  1.04     7  0.41  molprobity  1.000  
 13   13  mtt       -69.5   -41.5  Favored     ?     9  35.570     8  0.83    10  0.43  molprobity  1.000  
 14   14  tttt      -60.2   -44.9  Favored     ?    13  46.650     9  0.63    11  0.89  molprobity  1.000  
 15   15  ttt85     -58.6   -35.7  Favored     ?    13  50.560    11  0.66    14  1.08  molprobity  1.000  
 16   16  ttt85     -58.6   -35.7  Favored     ?    13  50.560    11  0.66    14  1.08  molprobity  1.000  
 17   17  m80       -89.4     6.5  Favored     ?     7  41.490    11  0.54    15  1.09  molprobity  1.000  
 18   18  ?          90.8    15.3  Favored     ?     3  39.190     4  1.51     5  0.89  molprobity  1.000  
 19   19  mt        -82.5   -20.1  Favored     ?    11  42.420     8  0.61    11  0.88  molprobity  1.000  
 20   20  t0        -64.4   114.6  Favored     ?     4  44.050     8  0.67    11  0.96  molprobity  1.000  
 21   21  m120       62.2    23.6  Favored     1     6  40.600     8  0.61    11  0.68  molprobity  1.000  
 22   22  m120       62.2    23.6  Favored     1     6  40.600     8  0.61    11  0.68  molprobity  1.000  
 23   23  t80       -64.1   122.9  Favored     ?     9  40.920    13  0.78    18  0.73  molprobity  1.000  
 24   24  mmt-85     51.6    32.0  Favored     ?    13  54.510    11  0.61    14  1.31  molprobity  1.000  
 25   25  ?          85.4     9.5  Favored     ?     3  34.140     4  0.72     5  1.23  molprobity  1.000  
 26   26  m-85      -98.6   108.5  Favored     ?     9  31.270    13  0.58    18  0.53  molprobity  1.000  
 27   27  p         -60.3   158.4  Favored     ?     5  36.410     6  1.64     8  0.80  molprobity  1.000  
 28   28  tp        -56.2   -41.7  Favored     ?    11  37.940     8  0.69    11  0.79  molprobity  1.000  
 29   29  ?         -46.6   -39.8  Favored     ?     3  30.180     4  1.47     5  0.88  molprobity  1.000  
 30   30  m-80      -61.9   -45.0  Favored     ?     6  29.440     8  0.81    11  0.81  molprobity  1.000  
 31   31  m95       -70.8   -39.6  Favored     ?    10  31.540    16  0.59    23  0.51  molprobity  1.000  
 32   32  t         -66.8   -44.5  Favored     ?     9  29.380     7  0.63    10  0.63  molprobity  1.000  
 33   33  t         -60.6   -47.4  Favored     ?     4  27.780     6  0.35     8  0.99  molprobity  1.000  
 34   34  ?         -57.8   -50.8  Favored     ?     5  31.930     5  0.67     7  0.72  molprobity  1.000  
 35   35  ?         -59.8   -43.1  Favored     ?     5  31.080     5  0.73     7  0.64  molprobity  1.000  
 36   36  tptt      -55.6   -52.9  Favored     ?    13  37.670     9  0.55    11  0.47  molprobity  1.000  
 37   37  m-85      -82.1   -23.4  Favored     ?     9  33.920    12  0.40    16  0.90  molprobity  1.000  
 38   38  mm-40     -76.5   -43.5  Favored     ?     6  32.520     9  0.85    12  0.70  molprobity  1.000  
 39   39  p        -135.0    -8.8  Favored     ?     5  31.400     6  0.84     8  1.08  molprobity  1.000  
 40   40  t30        59.1    33.9  Favored     ?     6  39.630     8  0.47    11  1.00  molprobity  1.000  
 41   41  m-85       69.2    20.7  Favored     ?     9  34.300    12  0.58    16  0.94  molprobity  1.000  
 42   42  t-20     -100.1   112.1  Favored     ?     6  30.880     8  0.95    11  0.59  molprobity  1.000  
 43   43  p         -60.4   -23.1  Favored     ?     7  31.960     7  0.73    10  0.96  molprobity  1.000  
 44   44  mt-30     -94.6     8.5  Favored     ?     8  32.560     9  0.70    12  0.71  molprobity  1.000  
 45   45  ?         -64.5   129.0  Favored     ?     5  31.360     5  0.71     7  0.63  molprobity  1.000  
 46   46  p        -128.4   145.6  Favored     ?     7  32.680     7  0.95    10  0.84  molprobity  1.000  
 47   47  m-80     -145.9   132.2  Favored     ?     6  37.440     8  0.58    11  0.71  molprobity  1.000  
 48   48  tpt180    -86.9   135.9  Favored     ?    13  46.910    11  0.64    14  0.92  molprobity  1.000  
 49   49  m120      -96.9   163.3  Favored     1     6  39.260     8  0.80    11  0.82  molprobity  1.000  
 50   50  p         -61.1   -36.4  Favored     ?     7  47.790     7  0.76    10  0.53  molprobity  1.000  
 51   51  p-10      -71.5    -2.8  Favored     ?     4  44.480     8  1.04    11  1.23  molprobity  1.000  
 52   52  ?          87.7    -3.6  Favored     ?     3  42.420     4  1.13     5  0.87  molprobity  1.000  
 53   53  p         -72.9   165.2  Favored     ?     5  33.800     6  1.09     8  0.64  molprobity  1.000  
 54   54  m        -130.6   143.3  Favored     ?     7  29.940     7  0.65    10  1.08  molprobity  1.000  
 55   55  m-20     -100.1   137.5  Favored     ?     4  34.280     8  0.84    11  0.89  molprobity  1.000  
 56   56  m-85     -130.9   128.0  Favored     ?     9  30.850    13  0.66    18  0.38  molprobity  1.000  
 57   57  ?          88.8  -166.7  Favored     ?     3  29.180     4  1.23     5  1.36  molprobity  1.000  
 58   58  OUTLIER   -61.7   -32.3  Favored     ?    11  37.910     8  0.60    11  0.98  molprobity  1.000  
 59   59  mt       -114.0    13.3  Favored     ?    11  33.230     8  0.44    11  0.63  molprobity  1.000  
 60   60  mm-40      52.5    54.2  Favored     ?     8  30.180     9  0.57    12  0.54  molprobity  1.000  
 61   61  mt        -77.0   134.5  Favored     ?    11  32.420     8  1.13    11  1.03  molprobity  1.000  
 62   62  t-20      -90.5   130.9  Favored     ?     6  37.850     8  0.82    11  1.01  molprobity  1.000  
 63   63  p         -70.1   -18.0  Favored     ?     5  32.440     6  0.70     8  0.42  molprobity  1.000  
 64   64  tpp180    -57.9   -37.5  Favored     ?    13  54.580    11  0.67    14  1.05  molprobity  1.000  
 65   65  m95      -122.7   -35.0  Favored     ?    10  50.050    16  0.46    23  0.66  molprobity  1.000  
 66   66  m95      -110.5   -27.0  Favored     ?    10  34.310    16  0.55    23  0.60  molprobity  1.000  
 67   67  p        -144.3   159.6  Favored     ?     4  32.450     6  0.78     8  0.58  molprobity  1.000  
 68   68  t30       -99.7   123.7  Favored     ?     6  39.220     8  0.54    11  0.76  molprobity  1.000  
 69   69  p30      -118.5     4.1  Favored     ?     4  33.240     8  0.97    11  1.04  molprobity  1.000  
 70   70  ?          72.7     6.1  Favored     ?     3  38.620     4  0.57     5  0.99  molprobity  1.000  
 71   71  ptt180   -138.8    25.2  Favored     ?    13  40.280    11  0.68    14  0.97  molprobity  1.000  
 72   72  m        -122.4    79.1  Favored     ?     7  37.660     7  0.63    11  0.94  molprobity  1.000  
 73   73  Cg_exo    -58.1   132.4  Favored     ?     7  49.740     8  0.36    11  0.47  molprobity  1.000  
 74   74  ?          74.0    23.3  Favored     ?     3  54.600     4  0.74     5  0.77  molprobity  1.000  
 75   75  p         -94.0   165.2  Favored     ?     4  47.770     6  1.28     8  0.70  molprobity  1.000  
 76   76  mtp180   -103.5   168.1  Favored     ?    13  62.970    11  0.70    14  0.92  molprobity  1.000  
 77   77  t-20     -132.4    67.8  Allowed     ?     6  37.820     8  0.38    11  1.10  molprobity  1.000  
 78   78  mt        -75.1   -21.6  Favored     ?    11  41.830     8  0.71    11  0.87  molprobity  1.000  
 79   79  m         -92.0    -4.0  Favored     ?     4  34.430     6  0.82     8  0.65  molprobity  1.000  
 80   80  OUTLIER    59.2    52.0  Favored     ?     6  54.080     8  0.92    11  0.77  molprobity  1.000  
 81   81  pt       -148.8   154.1  Favored     ?    11  42.260     8  0.48    12  1.12  molprobity  1.000  
 82   82  Cg_endo   -69.8   139.6  Favored     ?     7  35.560     8  0.62    11  0.97  molprobity  1.000  
 83   83  m         -60.3   -31.0  Favored     ?     4  31.830     6  1.49     8  0.46  molprobity  1.000  
 84   84  p         -57.3   -34.3  Favored     ?     5  34.570     6  0.89     8  0.97  molprobity  1.000  
 85   85  ?         -58.8   -22.1  Favored     ?     5  37.630     5  0.87     7  0.52  molprobity  1.000  
 86   86  mt        -82.3    -3.9  Favored     ?    11  36.280     8  0.76    11  0.52  molprobity  1.000  
 87   87  mt       -102.5    -3.2  Favored     ?    11  40.270     8  0.64    11  0.76  molprobity  1.000  
 88   88  t         -61.2   151.9  Favored     ?     5  39.240     6  0.95     8  0.69  molprobity  1.000  
 89   89  p         -66.6   -21.4  Favored     ?     5  42.650     6  0.82     8  0.76  molprobity  1.000  
 90   90  t0        -86.5   116.9  Favored     ?     4  44.710     8  0.86    11  1.07  molprobity  1.000  
 91   91  pt        -84.1     2.6  Favored     ?    11  38.270     8  0.89    11  0.67  molprobity  1.000  
 92   92  m         -52.2   -49.5  Favored     ?     7  36.760     7  0.77    10  0.67  molprobity  1.000  
 93   93  ?         -65.6   -40.1  Favored     ?     5  36.420     5  0.69     7  0.67  molprobity  1.000  
 94   94  m         -62.1   -45.8  Favored     ?     5  34.090     6  1.13     8  0.75  molprobity  1.000  
 95   95  t         -62.6   -46.4  Favored     ?     9  35.190     7  0.78    10  0.73  molprobity  1.000  
 96   96  m-20      -66.6   -38.9  Favored     ?     6  40.150     8  0.72    11  0.68  molprobity  1.000  
 97   97  t         -69.5   -43.8  Favored     ?     4  32.050     6  0.60     8  0.92  molprobity  1.000  
 98   98  ?         -54.0   -39.8  Favored     ?     5  30.060     5  0.98     7  0.41  molprobity  1.000  
 99   99  mttt      -63.0   -34.7  Favored     ?    13  38.270     9  0.64    11  0.62  molprobity  1.000  
100  100  ttmt      -73.6   -38.4  Favored     ?    13  40.570     9  0.53    11  0.59  molprobity  1.000  
101  101  ttmt      -73.6   -38.4  Favored     ?    13  40.570     9  0.53    11  0.59  molprobity  1.000  
102  102  mt        -63.9   -50.0  Favored     ?    11  31.140     8  0.63    11  0.57  molprobity  1.000  
103  103  p         -71.3   -18.8  Favored     ?     9  35.430     7  0.67    10  0.94  molprobity  1.000  
104  104  m         -83.8    -7.6  Favored     ?     5  40.620     6  1.35     8  0.72  molprobity  1.000  
105  105  p-10      -86.5     3.8  Favored     ?     4  45.590     8  0.95    11  1.13  molprobity  1.000  
106  106  ?         117.2   -26.9  Favored     ?     3  49.200     4  1.03     5  1.08  molprobity  1.000  
107  107  m-20      -99.9     4.1  Favored     ?     6  45.890     8  0.69    11  0.78  molprobity  1.000  
108  108  ?          54.4  -139.0  Favored     ?     3  30.790     4  0.76     5  0.85  molprobity  1.000  
109  109  mtp       -86.0     0.4  Favored     ?     9  30.910     8  0.73    10  0.86  molprobity  1.000  
110  110  m-20      -63.4   -17.9  Favored     ?     6  33.290     8  0.72    11  0.82  molprobity  1.000  
111  111  ?         -55.5   -25.5  Favored     ?     5  33.490     5  0.80     7  0.85  molprobity  1.000  
112  112  m-90     -103.3   106.6  Favored     ?    10  32.890    16  0.68    23  0.71  molprobity  1.000  
113  113  t         -54.6   -43.6  Favored     ?     9  37.940     7  0.74    10  0.52  molprobity  1.000  
114  114  ?         -69.0   -33.1  Favored     ?     5  32.830     5  0.77     7  0.79  molprobity  1.000  
115  115  t90       -60.8   -52.2  Favored     ?    10  30.190    16  0.88    23  0.56  molprobity  1.000  
116  116  ttp-105   -58.2   -41.6  Favored     ?    13  49.360    11  0.56    14  1.37  molprobity  1.000  
117  117  m-20      -90.4   -24.2  Favored     ?     6  34.270     8  0.74    11  0.88  molprobity  1.000  
118  118  mtp180   -128.5   -14.1  Favored     ?    13  36.560    11  0.61    14  1.16  molprobity  1.000  
119  119  m        -119.9   -46.5  Favored     ?     4  30.590     6  0.67     8  0.57  molprobity  1.000  
120  120  tttt      -53.8   131.8  Favored     ?    13  35.100     9  0.41    11  0.77  molprobity  1.000  
121  121  ?          70.1    15.4  Favored     ?     3  43.400     4  0.94     5  0.79  molprobity  1.000  
122  122  p        -104.3   172.2  Favored     ?     7  37.170     7  0.73    10  0.81  molprobity  1.000  
123  123  t0        -78.4    86.3  Favored     ?     4  48.810     8  0.74    11  0.75  molprobity  1.000  
124  124  m         -75.4   -21.2  Favored     ?     9  40.380     7  1.01    10  0.52  molprobity  1.000  
125  125  tt0       -58.5   -26.6  Favored     ?     8  62.050     9  0.53    12  0.54  molprobity  1.000  
126  126  ?         -57.7   -28.8  Favored     ?     5  39.390     5  0.74     7  0.71  molprobity  1.000  
127  127  m95       -68.9   -24.4  Favored     ?    10  36.590    16  0.65    23  0.65  molprobity  1.000  
128  128  pt       -106.0     3.1  Favored     ?    11  38.380     8  1.00    11  0.87  molprobity  1.000  
129  129  ttm180    -56.0   132.2  Favored     ?    13  50.650    11  0.71    14  0.76  molprobity  1.000  
130  130  ttm180    -56.0   132.2  Favored     ?    13  50.650    11  0.71    14  0.76  molprobity  1.000  
131  131  ?          86.2   -11.9  Favored     ?     3  44.450     4  0.93     5  1.17  molprobity  1.000  
132  132  m         -78.3   143.8  Favored     ?     4  42.240     6  0.74     8  0.50  molprobity  1.000  
133  133  ttm105    -90.0   114.1  Favored     ?    13  68.590    11  0.46    14  1.11  molprobity  1.000  
134  134  mp            ?       ?  ?           ?    11  69.240     8  0.58     8  0.72  molprobity  1.000  
135  135  ?             ?       ?  ?           ?     5  62.910     3  0.20     2  0.28  mogul       1.000  
136  136  ?             ?       ?  ?           ?     5  69.570     3  0.15     2  0.23  mogul       1.000  
137  137  ?             ?       ?  ?           ?     ?  42.080     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?     ?  39.880     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?  41.910     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?  29.910     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?  45.940     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  42.470     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?  33.350     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?  46.040     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?  55.660     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?  44.130     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?  40.850     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?  47.330     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?  59.600     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?  47.380     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?  61.990     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?  49.120     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  43.100     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?  45.820     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?  38.060     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?  42.640     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?  43.570     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?  34.120     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  51.310     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  43.740     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  41.490     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  59.510     ?     ?     ?     ?  ?           0.500  
163  163  ?             ?       ?  ?           ?     ?  50.910     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  40.700     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  41.660     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  33.880     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  38.620     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  48.010     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  42.540     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  38.560     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  51.020     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  33.420     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  46.360     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  41.770     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  37.400     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  40.210     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  46.760     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?  34.550     ?     ?     ?     ?  ?           0.500  
179  179  ?             ?       ?  ?           ?     ?  55.420     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?  44.760     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?  36.150     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?  35.680     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?  48.970     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?     ?  49.940     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?     ?  52.160     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?     ?  51.920     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?     ?  56.290     ?     ?     ?     ?  ?           0.500  
#
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   17  HB3   1  0.62  1.82  
2   66  CE2   2  0.40  2.56  
3   95  HG11  1  0.62  1.82  
4   96  O     3  0.58  2.03  
5  101  HD2   3  0.58  2.03  
6  102  HG12  2  0.40  2.56  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  135  O2  C3  C4  O4  -126.94  56.77  213  16.62  4.55  1.41  
2  136  O2  C3  C4  O4  -154.62  62.13  213  38.34  5.80  2.35  
#
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  15  0.934  0.110  -0.711  
  2    2  15  0.934  0.110  -0.711  
  3    3   7  0.945  0.104  -0.397  
  4    4  11  0.952  0.090  -0.626  
  5    5   4  0.948  0.080  -0.595  
  6    6  11  0.948  0.092  -0.818  
  7    7   6  0.980  0.092  -0.307  
  8    8   9  0.959  0.100  -0.764  
  9    9   8  0.970  0.092  -0.736  
 10   10   5  0.973  0.107  -0.169  
 11   11   5  0.934  0.117   0.017  
 12   12   5  0.963  0.083  -0.615  
 13   13   8  0.973  0.093  -0.541  
 14   14   9  0.935  0.102  -0.821  
 15   15  19  0.853  0.218   1.043  
 16   16  19  0.853  0.218   1.043  
 17   17  10  0.957  0.096  -0.471  
 18   18   4  0.960  0.079  -0.612  
 19   19   8  0.927  0.122  -0.131  
 20   20   8  0.919  0.127  -0.084  
 21   21  13  0.949  0.128  -0.016  
 22   22  13  0.949  0.128  -0.016  
 23   23  12  0.959  0.098  -0.416  
 24   24  11  0.944  0.139  -0.124  
 25   25   4  0.971  0.080  -0.595  
 26   26  12  0.957  0.100  -0.374  
 27   27   6  0.953  0.096  -0.446  
 28   28   8  0.962  0.101  -0.554  
 29   29   4  0.970  0.092  -0.393  
 30   30   8  0.983  0.082  -0.746  
 31   31  14  0.958  0.098  -0.371  
 32   32   7  0.935  0.109  -0.296  
 33   33   6  0.976  0.094  -0.261  
 34   34   5  0.971  0.088  -0.522  
 35   35   5  0.964  0.104  -0.225  
 36   36   9  0.966  0.102  -0.821  
 37   37  11  0.974  0.093  -0.564  
 38   38   9  0.972  0.087  -0.940  
 39   39   6  0.961  0.088  -0.583  
 40   40   8  0.966  0.109  -0.317  
 41   41  11  0.979  0.102  -0.378  
 42   42   8  0.980  0.088  -0.651  
 43   43   7  0.972  0.085  -0.638  
 44   44   9  0.975  0.104  -0.580  
 45   45   5  0.966  0.092  -0.448  
 46   46   7  0.978  0.088  -0.582  
 47   47   8  0.962  0.111  -0.286  
 48   48  11  0.905  0.147  -0.006  
 49   49   8  0.972  0.100  -0.460  
 50   50   7  0.944  0.113  -0.120  
 51   51   8  0.934  0.105  -0.419  
 52   52   4  0.954  0.089  -0.444  
 53   53   6  0.969  0.103  -0.326  
 54   54   7  0.965  0.098  -0.397  
 55   55   8  0.974  0.108  -0.373  
 56   56  12  0.963  0.103  -0.311  
 57   57   4  0.989  0.096  -0.325  
 58   58   8  0.945  0.114  -0.289  
 59   59   8  0.954  0.108  -0.413  
 60   60   9  0.966  0.107  -0.536  
 61   61   8  0.921  0.117  -0.227  
 62   62   8  0.944  0.119  -0.159  
 63   63   6  0.957  0.098  -0.412  
 64   64  11  0.927  0.164   0.245  
 65   65  14  0.935  0.154   0.911  
 66   66  14  0.962  0.098  -0.371  
 67   67   6  0.981  0.094  -0.261  
 68   68   8  0.959  0.112  -0.270  
 69   69   8  0.978  0.102  -0.464  
 70   70   4  0.944  0.084  -0.528  
 71   71  11  0.884  0.153   0.083  
 72   72   7  0.908  0.127   0.139  
 73   73   7  0.967  0.102  -0.284  
 74   74   4  0.965  0.129   0.231  
 75   75   6  0.951  0.093  -0.497  
 76   76  11  0.889  0.175   0.408  
 77   77   8  0.964  0.081  -0.762  
 78   78   8  0.973  0.087  -0.837  
 79   79   6  0.987  0.081  -0.558  
 80   80   8  0.943  0.118  -0.175  
 81   81   8  0.908  0.124  -0.084  
 82   82   7  0.961  0.082  -0.634  
 83   83   6  0.985  0.101  -0.101  
 84   84   6  0.952  0.096  -0.446  
 85   85   5  0.975  0.076  -0.745  
 86   86   8  0.910  0.133   0.091  
 87   87   8  0.973  0.098  -0.615  
 88   88   6  0.975  0.073  -0.839  
 89   89   6  0.972  0.095  -0.463  
 90   90   8  0.944  0.109  -0.358  
 91   91   8  0.958  0.097  -0.637  
 92   92   7  0.959  0.092  -0.508  
 93   93   5  0.926  0.105  -0.206  
 94   94   6  0.972  0.103  -0.326  
 95   95   7  0.969  0.100  -0.478  
 96   96   8  0.955  0.094  -0.556  
 97   97   6  0.987  0.068  -0.856  
 98   98   5  0.942  0.107  -0.169  
 99   99   9  0.960  0.109  -0.725  
100  100  15  0.931  0.180   0.248  
101  101  15  0.931  0.180   0.248  
102  102   8  0.954  0.110  -0.371  
103  103   7  0.950  0.120  -0.075  
104  104   6  0.958  0.096  -0.446  
105  105   8  0.941  0.120  -0.190  
106  106   4  0.939  0.105  -0.174  
107  107   8  0.956  0.095  -0.540  
108  108   4  0.974  0.098  -0.292  
109  109   8  0.969  0.098  -0.450  
110  110   8  0.957  0.087  -0.667  
111  111   5  0.927  0.119   0.054  
112  112  14  0.956  0.130   0.362  
113  113   7  0.966  0.122  -0.034  
114  114   5  0.946  0.109  -0.132  
115  115  14  0.951  0.098  -0.371  
116  116  11  0.915  0.138  -0.139  
117  117   8  0.972  0.093  -0.571  
118  118  11  0.945  0.101  -0.685  
119  119   6  0.985  0.080  -0.581  
120  120   9  0.961  0.109  -0.725  
121  121   4  0.975  0.081  -0.578  
122  122   7  0.950  0.088  -0.582  
123  123   8  0.965  0.102  -0.464  
124  124   7  0.943  0.111  -0.256  
125  125   9  0.901  0.218   1.111  
126  126   5  0.960  0.081  -0.652  
127  127  14  0.954  0.102  -0.279  
128  128   8  0.942  0.109  -0.391  
129  129  19  0.914  0.211   0.939  
130  130  19  0.914  0.211   0.939  
131  131   4  0.957  0.086  -0.494  
132  132   6  0.976  0.118   0.288  
133  133  11  0.890  0.191   0.644  
134  134   9  0.852  0.184   1.119  
135  135   4  0.803  0.209       ?  
136  136   4  0.840  0.202       ?  
137  137   1  0.974  0.192       ?  
138  138   1  0.986  0.088       ?  
139  139   1  0.961  0.235       ?  
140  140   1  0.964  0.127       ?  
141  141   1  0.937  0.253       ?  
142  142   1  0.792  0.191       ?  
143  143   1  0.983  0.120       ?  
144  144   1  0.690  0.230       ?  
145  145   1  0.815  0.170       ?  
146  146   1  0.954  0.165       ?  
147  147   1  0.922  0.209       ?  
148  148   1  0.762  0.265       ?  
149  149   1  0.819  0.175       ?  
150  150   1  0.957  0.198       ?  
151  151   1  0.290  0.682       ?  
152  152   1  0.837  0.240       ?  
153  153   1  0.818  0.192       ?  
154  154   1  0.769  0.233       ?  
155  155   1  0.935  0.163       ?  
156  156   1  0.948  0.103       ?  
157  157   1  0.918  0.182       ?  
158  158   1  0.981  0.124       ?  
159  159   1  0.860  0.311       ?  
160  160   1  0.901  0.136       ?  
161  161   1  0.913  0.185       ?  
162  162   1  0.893  0.373       ?  
163  163   1  0.829  0.138       ?  
164  164   1  0.892  0.202       ?  
165  165   1  0.951  0.178       ?  
166  166   1  0.980  0.164       ?  
167  167   1  0.978  0.208       ?  
168  168   1  0.955  0.100       ?  
169  169   1  0.868  0.254       ?  
170  170   1  0.935  0.168       ?  
171  171   1  0.771  0.275       ?  
172  172   1  0.963  0.246       ?  
173  173   1  0.789  0.209       ?  
174  174   1  0.738  0.235       ?  
175  175   1  0.942  0.143       ?  
176  176   1  0.824  0.159       ?  
177  177   1  0.770  0.204       ?  
178  178   1  0.900  0.529       ?  
179  179   1  0.729  0.384       ?  
180  180   1  0.714  0.270       ?  
181  181   1  0.925  0.213       ?  
182  182   1  0.959  0.184       ?  
183  183   1  0.860  0.250       ?  
184  184   1  0.844  0.200       ?  
185  185   1  0.895  0.223       ?  
186  186   1  0.901  0.148       ?  
187  187   1  0.653  0.283       ?  
#
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  
##
