data_8DTU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8DTU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8DTU
_pdbx_vrpt_summary.PDB_deposition_date         2022-07-26
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-02-01
_pdbx_vrpt_summary.report_creation_date        2023-01-21:13:01
_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      "Nanobody 5344N74D"  
2  polymer      "Nanobody 5344N74D"  
3  polymer      "B-cell lymphoma/leukemia 11A"  
4  non-polymer  "ZINC ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
F  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.447  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   24.75  141614     ?     ?  
 2  2  1   27.65    1631  2.42  2.46  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1617  2.42  2.46  
 5  1  3   13.45  138945     ?     ?  
 6  2  3   16.39    1617  2.42  2.46  
 7  1  4   36.85  127900     ?     ?  
 8  2  4   33.81    1547  2.42  2.46  
 9  1  5    8.24  130704     ?     ?  
10  2  5    9.26    1564  2.42  2.46  
#
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  B  100.00  
 2  4  2  A  1  1  B  100.00  
 3  5  3  A  1  1  B    1.91  
 4  6  3  A  1  1  B    0.88  
 5  7  4  A  1  1  B    0.06  
 6  8  4  A  1  1  B    0.00  
 7  3  2  B  1  2  A  100.00  
 8  4  2  B  1  2  A  100.00  
 9  5  3  B  1  2  A   20.31  
10  6  3  B  1  2  A   25.91  
11  7  4  B  1  2  A  100.00  
12  8  4  B  1  2  A  100.00  
13  3  2  C  1  3  C  100.00  
14  4  2  C  1  3  C  100.00  
15  5  3  C  1  3  C    6.27  
16  6  3  C  1  3  C    5.75  
17  7  4  C  1  3  C    5.60  
18  8  4  C  1  3  C    3.56  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  B  0.80  0.46   48    63  
2  1  2  B  A  0.64  0.46  860  1162  
3  1  3  C  C  0.65  0.40  248   330  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       7.44
_pdbx_vrpt_summary_geometry.clashscore                     10.78
_pdbx_vrpt_summary_geometry.num_H_reduce                   1090
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1156
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.45
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1555
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.65
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 120.595
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            36.079
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         53.171
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.78(2.45A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10391
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.059
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.289
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.325
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.923
_pdbx_vrpt_summary_diffraction.DCC_R                     0.26
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.29
_pdbx_vrpt_summary_diffraction.EDS_R                     0.27
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.45
_pdbx_vrpt_summary_diffraction.EDS_res_low               46.42
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[69.847,69.847,34.048,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.618
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.34% 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         94.87
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1045
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     4.14
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.45
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.66
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  GLN  B     1  .  ?        ?  
  2  1  1  A    2  VAL  B     2  .  ?        ?  
  3  1  1  A    3  GLN  B     3  .  ?        ?  
  4  1  1  A    4  LEU  B     4  .  ?        5  
  5  1  1  A    5  VAL  B     5  .  ?        1  
  6  1  1  A    6  LYS  B     6  .  ?        1  
  7  1  2  B    1  SER  A     7  .  ?        1  
  8  1  2  B    2  GLY  A     8  .  ?        ?  
  9  1  2  B    3  GLY  A     9  .  ?        ?  
 10  1  2  B    4  GLY  A    10  .  ?        ?  
 11  1  2  B    5  LEU  A    11  .  ?        ?  
 12  1  2  B    6  VAL  A    12  .  ?        ?  
 13  1  2  B    7  GLN  A    13  .  ?        ?  
 14  1  2  B    8  ALA  A    14  .  ?        ?  
 15  1  2  B    9  GLY  A    15  .  ?        ?  
 16  1  2  B   10  ASP  A    16  .  ?        ?  
 17  1  2  B   11  SER  A    17  .  ?        1  
 18  1  2  B   12  LEU  A    18  .  ?        1  
 19  1  2  B   13  ARG  A    19  .  ?        1  
 20  1  2  B   14  LEU  A    20  .  ?        ?  
 21  1  2  B   15  SER  A    21  .  ?        ?  
 22  1  2  B   16  CYS  A    22  .  ?        ?  
 23  1  2  B   17  ALA  A    23  .  ?        ?  
 24  1  2  B   18  ALA  A    24  .  ?        ?  
 25  1  2  B   19  SER  A    25  .  ?        ?  
 26  1  2  B   20  GLY  A    26  .  ?        ?  
 27  1  2  B   21  SER  A    27  .  ?        ?  
 28  1  2  B   22  THR  A    28  .  ?        ?  
 29  1  2  B   23  PHE  A    29  .  ?        1  
 30  1  2  B   24  SER  A    30  .  ?        ?  
 31  1  2  B   25  GLY  A    31  .  ?        ?  
 32  1  2  B   26  TYR  A    32  .  ?        ?  
 33  1  2  B   27  ALA  A    33  .  ?        ?  
 34  1  2  B   28  MSE  A    34  .  ?        ?  
 35  1  2  B   29  GLY  A    35  .  ?        ?  
 36  1  2  B   30  TRP  A    36  .  ?        1  
 37  1  2  B   31  TYR  A    37  .  ?        ?  
 38  1  2  B   32  ARG  A    38  .  ?        ?  
 39  1  2  B   33  GLN  A    39  .  ?        ?  
 40  1  2  B   34  ALA  A    40  .  ?        ?  
 41  1  2  B   35  PRO  A    41  .  ?        ?  
 42  1  2  B   36  GLY  A    42  .  ?        ?  
 43  1  2  B   37  LYS  A    43  .  ?        ?  
 44  1  2  B   38  GLU  A    44  .  ?        ?  
 45  1  2  B   39  ARG  A    45  .  ?        1  
 46  1  2  B   40  GLU  A    46  .  ?        ?  
 47  1  2  B   41  LEU  A    47  .  ?        ?  
 48  1  2  B   42  VAL  A    48  .  ?        ?  
 49  1  2  B   43  ALA  A    49  .  ?        ?  
 50  1  2  B   44  ALA  A    50  .  ?        ?  
 51  1  2  B   45  ILE  A    51  .  ?        ?  
 52  1  2  B   46  THR  A    52  .  ?        1  
 53  1  2  B   47  SER  A    53  .  ?        1  
 54  1  2  B   48  SER  A    54  .  ?        ?  
 55  1  2  B   49  GLY  A    55  .  ?        ?  
 56  1  2  B   50  ALA  A    56  .  ?        ?  
 57  1  2  B   51  SER  A    57  .  ?        ?  
 58  1  2  B   52  THR  A    58  .  ?        ?  
 59  1  2  B   53  TYR  A    59  .  ?        ?  
 60  1  2  B   54  TYR  A    60  .  ?        ?  
 61  1  2  B   55  ALA  A    61  .  ?        ?  
 62  1  2  B   56  ASP  A    62  .  ?        ?  
 63  1  2  B   57  SER  A    63  .  ?        ?  
 64  1  2  B   58  VAL  A    64  .  ?        1  
 65  1  2  B   59  ARG  A    65  .  ?        2  
 66  1  2  B   60  GLY  A    66  .  ?        ?  
 67  1  2  B   61  ARG  A    67  .  ?        2  
 68  1  2  B   62  PHE  A    68  .  ?        ?  
 69  1  2  B   63  THR  A    69  .  ?        ?  
 70  1  2  B   64  ILE  A    70  .  ?        ?  
 71  1  2  B   65  SER  A    71  .  ?        ?  
 72  1  2  B   66  ARG  A    72  .  ?        1  
 73  1  2  B   67  ASP  A    73  .  ?        ?  
 74  1  2  B   68  ASP  A    74  .  ?        ?  
 75  1  2  B   69  ALA  A    75  .  ?        ?  
 76  1  2  B   70  LYS  A    76  .  ?        ?  
 77  1  2  B   71  ASN  A    77  .  ?        ?  
 78  1  2  B   72  THR  A    78  .  ?        ?  
 79  1  2  B   73  VAL  A    79  .  ?        ?  
 80  1  2  B   74  TYR  A    80  .  ?        ?  
 81  1  2  B   75  LEU  A    81  .  ?        ?  
 82  1  2  B   76  GLN  A    82  .  ?        1  
 83  1  2  B   77  MSE  A    83  .  ?        1  
 84  1  2  B   78  ASN  A    84  .  ?        1  
 85  1  2  B   79  SER  A    85  .  ?        ?  
 86  1  2  B   80  LEU  A    86  .  ?        ?  
 87  1  2  B   81  LYS  A    87  .  ?        ?  
 88  1  2  B   82  PRO  A    88  .  ?        ?  
 89  1  2  B   83  GLU  A    89  .  ?        ?  
 90  1  2  B   84  ASP  A    90  .  ?        1  
 91  1  2  B   85  THR  A    91  .  ?        1  
 92  1  2  B   86  ALA  A    92  .  ?        ?  
 93  1  2  B   87  VAL  A    93  .  ?        ?  
 94  1  2  B   88  TYR  A    94  .  ?        ?  
 95  1  2  B   89  TYR  A    95  .  ?        ?  
 96  1  2  B   90  CYS  A    96  .  ?        ?  
 97  1  2  B   91  ALA  A    97  .  ?        ?  
 98  1  2  B   92  ALA  A    98  .  ?        ?  
 99  1  2  B   93  LEU  A    99  .  ?        ?  
100  1  2  B   94  ASP  A   100  .  ?        ?  
101  1  2  B   95  GLU  A   101  .  ?        ?  
102  1  2  B   96  GLY  A   102  .  ?        ?  
103  1  2  B   97  TYR  A   103  .  ?        ?  
104  1  2  B   98  LEU  A   104  .  ?        1  
105  1  2  B   99  ASP  A   105  .  ?        ?  
106  1  2  B  100  TYR  A   106  .  ?        ?  
107  1  2  B  101  ASP  A   107  .  ?        ?  
108  1  2  B  102  SER  A   108  .  ?        ?  
109  1  2  B  103  TRP  A   109  .  ?        ?  
110  1  2  B  104  GLY  A   110  .  ?        ?  
111  1  2  B  105  GLN  A   111  .  ?        ?  
112  1  2  B  106  GLY  A   112  .  ?        1  
113  1  2  B  107  THR  A   113  .  ?        ?  
114  1  2  B  108  GLN  A   114  .  ?        ?  
115  1  2  B  109  VAL  A   115  .  ?        ?  
116  1  2  B  110  THR  A   116  .  ?        1  
117  1  2  B  111  VAL  A   117  .  ?        ?  
118  1  2  B  112  SER  A   118  .  ?        ?  
119  1  2  B  113  SER  A   119  .  ?        ?  
120  1  3  C    1  VAL  C   799  .  ?        ?  
121  1  3  C    2  TYR  C   800  .  ?        ?  
122  1  3  C    3  LYS  C   801  .  ?        ?  
123  1  3  C    4  CYS  C   802  .  ?        ?  
124  1  3  C    5  GLU  C   803  .  ?        ?  
125  1  3  C    6  ILE  C   804  .  ?        ?  
126  1  3  C    7  CYS  C   805  .  ?        ?  
127  1  3  C    8  LYS  C   806  .  ?        ?  
128  1  3  C    9  MET  C   807  .  ?        ?  
129  1  3  C   10  PRO  C   808  .  ?        ?  
130  1  3  C   11  PHE  C   809  .  ?        ?  
131  1  3  C   12  SER  C   810  .  ?        ?  
132  1  3  C   13  VAL  C   811  .  ?        ?  
133  1  3  C   14  TYR  C   812  .  ?        ?  
134  1  3  C   15  SER  C   813  .  ?        ?  
135  1  3  C   16  THR  C   814  .  ?        4  
136  1  3  C   17  LEU  C   815  .  ?        ?  
137  1  3  C   18  GLU  C   816  .  ?        5  
138  1  3  C   19  LYS  C   817  .  ?        1  
139  1  3  C   20  HIS  C   818  .  ?        ?  
140  1  3  C   21  MET  C   819  .  ?        ?  
141  1  3  C   22  LYS  C   820  .  ?        ?  
142  1  3  C   23  LYS  C   821  .  ?        ?  
143  1  3  C   24  TRP  C   822  .  ?        ?  
144  1  3  C   25  HIS  C   823  .  ?        ?  
145  1  3  C   26  SER  C   824  .  ?        1  
146  1  3  C   27  ASP  C   825  .  ?        1  
147  1  3  C   28  ARG  C   826  .  ?        4  
148  1  4  D    .  ZN   C   901  .  ?        ?  
149  1  5  E    .  HOH  A   201  .  ?        1  
150  1  5  E    .  HOH  A   202  .  ?        ?  
151  1  5  E    .  HOH  A   203  .  ?        ?  
152  1  5  E    .  HOH  A   204  .  ?        ?  
153  1  5  E    .  HOH  A   205  .  ?        ?  
154  1  5  E    .  HOH  A   206  .  ?        ?  
155  1  5  E    .  HOH  A   207  .  ?        ?  
156  1  5  E    .  HOH  A   208  .  ?        ?  
157  1  5  E    .  HOH  A   209  .  ?        1  
158  1  5  E    .  HOH  A   210  .  ?        ?  
159  1  5  E    .  HOH  A   211  .  ?        ?  
160  1  5  E    .  HOH  A   212  .  ?        ?  
161  1  5  F    .  HOH  C  1001  .  ?        ?  
162  1  5  F    .  HOH  C  1002  .  ?        ?  
163  1  5  F    .  HOH  C  1003  .  ?        ?  
164  1  5  F    .  HOH  C  1004  .  ?        ?  
165  1  5  F    .  HOH  C  1005  .  ?        ?  
#
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  OUTLIER       ?       ?  ?           ?    10  107.270     9  0.41    12  0.80  molprobity  1.000  
  2    2  t        -140.6   -70.1  Allowed     ?     9   90.140     7  0.56    10  0.43  molprobity  1.000  
  3    3  mp0      -119.6   148.1  Favored     ?     8   87.970     9  0.34    12  0.63  molprobity  1.000  
  4    4  mp       -128.5   135.6  Favored     ?    11   62.310     8  0.68    11  1.03  molprobity  1.000  
  5    5  t        -132.2   147.6  Favored     ?     9   59.370     7  0.32    10  1.04  molprobity  1.000  
  6    6  mtpp          ?       ?  ?           ?    13   64.240     8  0.35     8  0.65  molprobity  1.000  
  7    7  t             ?       ?  ?           ?     4   76.690     6  0.13     8  0.29  molprobity  1.000  
  8    8  ?        -126.8   -74.4  Allowed     ?     3   91.870     4  0.34     5  0.29  molprobity  1.000  
  9    9  ?        -147.7  -173.8  Favored     ?     3   72.780     4  0.29     5  0.37  molprobity  1.000  
 10   10  ?         -79.0    -0.8  Favored     ?     3   60.790     4  0.30     5  0.82  molprobity  1.000  
 11   11  mt        -76.6   115.9  Favored     ?    11   60.680     8  0.43    11  0.58  molprobity  1.000  
 12   12  m        -141.5   175.7  Favored     ?     9   64.270     7  0.37    10  0.62  molprobity  1.000  
 13   13  mt-30    -114.9   158.6  Favored     1     8   82.420     9  0.32    12  0.64  molprobity  1.000  
 14   14  ?         -49.9   150.3  Favored     ?     5   67.130     5  0.22     7  0.43  molprobity  1.000  
 15   15  ?          82.7   -29.8  Favored     ?     3   66.820     4  0.33     5  0.48  molprobity  1.000  
 16   16  m-20      -63.1   162.1  Favored     ?     4   69.680     8  0.30    11  0.62  molprobity  1.000  
 17   17  OUTLIER  -121.7   153.7  Favored     ?     5   61.790     6  1.07     8  0.67  molprobity  1.000  
 18   18  mt       -139.3   163.7  Favored     ?    11   54.410     8  0.23    11  1.23  molprobity  1.000  
 19   19  OUTLIER  -134.5   129.2  Favored     ?    13   59.870    11  0.51    14  0.88  molprobity  1.000  
 20   20  mt       -108.3   145.5  Favored     ?    11   47.980     8  0.34    11  0.95  molprobity  1.000  
 21   21  p        -130.0   150.3  Favored     ?     5   44.680     6  0.68     8  0.70  molprobity  1.000  
 22   22  t        -136.3   122.4  Favored     ?     4   57.270     6  0.33     8  0.67  molprobity  1.000  
 23   23  ?        -136.4   148.3  Favored     ?     5   58.440     5  0.58     7  0.66  molprobity  1.000  
 24   24  ?        -142.8   156.9  Favored     ?     5   64.050     5  0.38     7  0.68  molprobity  1.000  
 25   25  m         -67.3   159.7  Favored     ?     5   64.670     6  0.19     8  0.38  molprobity  1.000  
 26   26  ?          71.8  -152.6  Favored     ?     3   57.350     4  0.40     5  0.73  molprobity  1.000  
 27   27  m        -123.5    39.4  Favored     ?     5   59.130     6  0.32     8  0.43  molprobity  1.000  
 28   28  p         -62.0   -34.8  Favored     ?     7   56.050     7  0.29    10  0.73  molprobity  1.000  
 29   29  m-30      -74.0    -1.8  Favored     ?     9   55.780    12  0.39    16  0.82  molprobity  1.000  
 30   30  m         -80.9   135.1  Favored     ?     5   57.160     6  0.53     8  0.41  molprobity  1.000  
 31   31  ?          82.7    -3.8  Favored     ?     3   60.720     4  0.53     5  0.53  molprobity  1.000  
 32   32  m-85     -116.3   139.1  Favored     ?     9   60.630    13  0.47    18  0.48  molprobity  1.000  
 33   33  ?         -68.7   143.8  Favored     ?     5   53.370     4  0.33     4  0.48  molprobity  1.000  
 34   34  mmm      -120.5   151.8  Favored     ?     9   54.360     8  0.28    10  0.65  molprobity  1.000  
 35   35  ?        -142.8   146.1  Favored     ?     3   45.310     4  0.67     5  0.49  molprobity  1.000  
 36   36  m95       -94.1   127.0  Favored     ?    10   50.130    16  0.31    23  0.33  molprobity  1.000  
 37   37  m-85     -115.7   155.1  Favored     ?     9   49.590    13  0.60    18  0.53  molprobity  1.000  
 38   38  ptt180   -140.8   142.9  Favored     ?    13   52.090    11  0.51    14  1.04  molprobity  1.000  
 39   39  tt0      -107.0    96.0  Favored     1     8   63.490     9  0.51    12  0.80  molprobity  1.000  
 40   40  ?         -84.5   158.3  Favored     ?     5   58.470     5  0.25     8  0.44  molprobity  1.000  
 41   41  Cg_exo    -58.9   128.1  Favored     ?     7   59.820     8  0.28    11  0.28  molprobity  1.000  
 42   42  ?          96.9   -39.8  Favored     ?     3   68.220     4  0.44     5  0.90  molprobity  1.000  
 43   43  mttp      -98.1   165.0  Favored     ?    13   75.020     9  0.28    11  0.42  molprobity  1.000  
 44   44  OUTLIER   -86.0  -177.4  Favored     ?     6   75.680     9  1.26    12  0.73  molprobity  1.000  
 45   45  mtt85     -45.9   144.0  Allowed     ?    13   71.700    11  0.58    14  0.70  molprobity  1.000  
 46   46  tt0      -128.0   128.3  Favored     ?     6   50.850     9  0.36    12  0.46  molprobity  1.000  
 47   47  tp        -72.5   109.9  Favored     ?    11   48.970     8  0.42    11  0.55  molprobity  1.000  
 48   48  p         -89.4   -34.5  Favored     ?     9   54.770     7  0.72    10  0.67  molprobity  1.000  
 49   49  ?        -161.1   147.7  Favored     ?     5   50.740     5  0.43     7  0.81  molprobity  1.000  
 50   50  ?        -142.3   164.2  Favored     ?     5   50.590     5  0.43     7  0.87  molprobity  1.000  
 51   51  tt       -146.5   130.2  Favored     ?    11   51.950     8  0.26    11  0.47  molprobity  1.000  
 52   52  p         -61.7   170.7  Allowed     ?     7   58.090     7  0.33    10  0.70  molprobity  1.000  
 53   53  t         -60.4   -41.2  Favored     ?     5   62.230     6  0.33     8  0.32  molprobity  1.000  
 54   54  p         -76.1   -19.7  Favored     ?     5   63.770     6  0.37     8  0.42  molprobity  1.000  
 55   55  ?          85.3     0.3  Favored     ?     3   57.160     4  0.54     5  0.37  molprobity  1.000  
 56   56  ?         -73.5   -25.8  Favored     ?     5   62.550     5  0.29     7  0.38  molprobity  1.000  
 57   57  m        -130.8   159.3  Favored     ?     5   63.120     6  0.35     8  0.55  molprobity  1.000  
 58   58  OUTLIER  -147.6   139.9  Favored     ?     7   58.360     7  0.27    10  0.57  molprobity  1.000  
 59   59  t80      -123.1   145.5  Favored     ?     9   55.000    13  0.57    18  0.45  molprobity  1.000  
 60   60  m-85     -141.1   134.4  Favored     ?     9   56.010    13  0.80    18  0.50  molprobity  1.000  
 61   61  ?         -59.8   147.2  Favored     ?     5   55.000     5  0.28     7  0.49  molprobity  1.000  
 62   62  m-20      -51.4   -46.0  Favored     ?     4   65.090     8  0.22    11  0.57  molprobity  1.000  
 63   63  p         -60.5   -31.4  Favored     ?     5   62.870     6  0.25     8  0.35  molprobity  1.000  
 64   64  m        -107.9     0.4  Favored     ?     9   58.760     7  0.41    10  0.59  molprobity  1.000  
 65   65  ttp85     -69.0   138.3  Favored     ?    13   81.690    11  0.44    14  1.08  molprobity  1.000  
 66   66  ?          93.0   -29.8  Favored     ?     3   65.000     4  0.64     5  0.63  molprobity  1.000  
 67   67  mtp180   -104.6   -37.5  Favored     ?    13   60.960    11  0.32    14  0.74  molprobity  1.000  
 68   68  m-30      -98.9   156.5  Favored     ?     9   54.380    12  0.48    16  0.34  molprobity  1.000  
 69   69  m        -145.3   128.5  Favored     ?     7   53.640     7  0.30    10  0.64  molprobity  1.000  
 70   70  tt       -111.6   150.0  Favored     ?    11   51.340     8  0.19    11  0.45  molprobity  1.000  
 71   71  p        -162.6   157.5  Favored     ?     5   51.690     6  0.38     8  0.59  molprobity  1.000  
 72   72  ptm180   -136.9   154.9  Favored     ?    13   53.140    11  0.27    14  0.60  molprobity  1.000  
 73   73  t0       -141.1    90.4  Favored     ?     4   54.570     8  0.51    11  0.82  molprobity  1.000  
 74   74  m-20      -63.9   -29.6  Favored     ?     4   55.730     8  0.31    11  0.73  molprobity  1.000  
 75   75  ?         -58.2   -43.4  Favored     ?     5   56.550     5  0.24     7  0.39  molprobity  1.000  
 76   76  mttm      -91.5     1.3  Favored     ?    13   63.610     9  0.28    11  0.60  molprobity  1.000  
 77   77  t30        47.5    55.1  Favored     ?     6   52.740     8  0.55    11  0.69  molprobity  1.000  
 78   78  m        -140.6   141.8  Favored     ?     7   49.110     7  0.42    10  0.79  molprobity  1.000  
 79   79  t        -123.3   148.5  Favored     ?     9   49.370     7  0.79    10  0.55  molprobity  1.000  
 80   80  m-85     -130.6   149.8  Favored     ?     9   54.150    13  0.50    18  0.46  molprobity  1.000  
 81   81  tp       -135.8   112.1  Favored     ?    11   47.560     8  0.24    11  0.48  molprobity  1.000  
 82   82  tp60      -90.5   116.7  Favored     ?     8   55.970     8  0.37     9  0.35  molprobity  1.000  
 83   83  mtm      -109.8   104.3  Favored     ?     9   56.980     8  0.35    10  0.40  molprobity  1.000  
 84   84  m-20      -98.5   153.6  Favored     ?     6   58.900     8  0.17    11  0.44  molprobity  1.000  
 85   85  m          53.7    58.5  Favored     ?     5   64.530     6  0.29     8  0.59  molprobity  1.000  
 86   86  mt        -63.5   142.6  Favored     ?    11   61.110     8  0.32    11  0.61  molprobity  1.000  
 87   87  mttt     -112.6   162.2  Favored     ?    13   62.680     9  0.50    12  0.39  molprobity  1.000  
 88   88  Cg_exo    -61.3   -30.2  Favored     ?     7   59.840     8  0.26    11  0.33  molprobity  1.000  
 89   89  pt-20     -64.4   -15.1  Favored     ?     6   69.640     9  0.39    12  0.58  molprobity  1.000  
 90   90  m-20      -78.3     3.3  Favored     ?     4   57.360     8  0.28    11  0.81  molprobity  1.000  
 91   91  m         -76.4   124.5  Favored     ?     7   53.770     7  0.23    10  0.41  molprobity  1.000  
 92   92  ?        -175.6   173.3  Favored     ?     5   50.150     5  0.27     7  0.72  molprobity  1.000  
 93   93  t         -91.6   132.5  Favored     ?     9   53.980     7  0.40    10  0.65  molprobity  1.000  
 94   94  m-85     -109.3   142.5  Favored     ?     9   49.680    13  0.70    18  0.63  molprobity  1.000  
 95   95  m-85     -136.4   158.4  Favored     ?     9   55.530    13  0.54    18  0.79  molprobity  1.000  
 96   96  p        -123.9   147.8  Favored     ?     4   57.550     6  0.90     8  1.10  molprobity  1.000  
 97   97  ?        -155.9   165.0  Favored     ?     5   49.900     5  0.32     7  0.74  molprobity  1.000  
 98   98  ?         -64.0   134.8  Favored     ?     5   53.310     5  0.35     7  0.45  molprobity  1.000  
 99   99  mp        -56.6   -30.0  Favored     ?    11   59.010     8  0.34    11  0.54  molprobity  1.000  
100  100  m-20      -66.7    -7.0  Favored     ?     4   61.180     8  0.23    11  0.40  molprobity  1.000  
101  101  mt-10    -130.1    16.0  Favored     ?     6   68.360     9  0.35    12  0.48  molprobity  1.000  
102  102  ?         -60.9   -19.4  Favored     ?     3   59.510     4  0.19     5  0.40  molprobity  1.000  
103  103  p90       -97.6    -6.9  Favored     ?     9   59.390    13  0.49    18  0.47  molprobity  1.000  
104  104  mt        -69.2   160.7  Favored     ?    11   68.410     8  0.20    11  0.62  molprobity  1.000  
105  105  m-20      -60.5   143.9  Favored     ?     4   85.320     8  0.21    11  0.37  molprobity  1.000  
106  106  m-85      -52.2   -32.9  Favored     ?     9   80.580    13  0.35    18  0.62  molprobity  1.000  
107  107  m-20      -50.8   -47.3  Favored     ?     4   92.540     8  0.22    11  0.49  molprobity  1.000  
108  108  p         -78.4    -5.5  Favored     ?     5   84.280     6  0.36     8  0.40  molprobity  1.000  
109  109  m0        -84.6  -169.5  Favored     ?    10   74.590    16  0.41    23  0.41  molprobity  1.000  
110  110  ?         -76.0  -140.9  Allowed     ?     3   87.720     4  0.59     5  1.08  molprobity  1.000  
111  111  mt-30    -104.4   -46.8  Favored     ?     8   85.060     9  0.39    12  1.47  molprobity  1.000  
112  112  ?          97.9   143.2  Favored     ?     3   64.420     4  0.46     5  0.69  molprobity  1.000  
113  113  m        -124.9   135.3  Favored     ?     7   55.580     7  0.33    10  0.49  molprobity  1.000  
114  114  mt-30     -74.7   139.9  Favored     ?     8   53.560     9  0.49    12  0.61  molprobity  1.000  
115  115  t        -120.2   129.7  Favored     ?     9   53.180     7  0.27    10  0.63  molprobity  1.000  
116  116  m        -134.8   104.7  Favored     ?     7   56.870     7  0.14    10  0.55  molprobity  1.000  
117  117  t        -100.9   145.5  Favored     ?     9   64.610     7  0.71    10  0.63  molprobity  1.000  
118  118  m        -113.9   -63.6  Allowed     ?     5   76.200     6  0.95     8  1.18  molprobity  1.000  
119  119  OUTLIER       ?       ?  ?           ?     5   86.450     5  1.29     5  1.23  molprobity  1.000  
120  120  p             ?       ?  ?           ?     8   90.210     7  0.34    10  0.39  molprobity  1.000  
121  121  m-85      -88.0   127.2  Favored     ?     9   82.260    13  0.33    18  0.35  molprobity  1.000  
122  122  tttt      -91.5   142.8  Favored     ?    13   68.200     9  0.43    11  0.64  molprobity  1.000  
123  123  t         -82.0   133.5  Favored     ?     4   55.190     6  0.40     8  0.74  molprobity  1.000  
124  124  mt-10     -71.8   -23.1  Favored     ?     6   54.840     9  0.73    12  0.54  molprobity  1.000  
125  125  mm        -82.7   -54.8  Favored     ?    11   56.870     8  0.36    11  0.85  molprobity  1.000  
126  126  p        -101.4   -18.6  Favored     ?     4   52.930     6  0.21     8  1.09  molprobity  1.000  
127  127  mmtt       67.3    27.5  Favored     ?    13   55.920     9  0.35    11  0.53  molprobity  1.000  
128  128  ttt       -80.9   133.8  Favored     ?     9   52.550     8  0.27    11  0.67  molprobity  1.000  
129  129  Cg_exo    -83.5   134.1  Favored     ?     7   66.640     8  0.28    11  0.39  molprobity  1.000  
130  130  p90      -122.1   154.2  Favored     ?     9   82.720    12  0.26    16  0.38  molprobity  1.000  
131  131  p         -93.0   172.4  Favored     ?     5  103.330     6  0.24     8  0.51  molprobity  1.000  
132  132  p         -69.1   -15.3  Favored     ?     9  103.140     7  0.41    10  0.58  molprobity  1.000  
133  133  t80       -89.2    36.7  Allowed     ?     9  117.600    13  0.65    18  0.50  molprobity  1.000  
134  134  p        -168.5   114.3  Allowed     ?     5  107.830     6  0.25     8  1.19  molprobity  1.000  
135  135  t         -77.7   161.1  Favored     ?     7   93.250     7  0.27    10  0.59  molprobity  1.000  
136  136  OUTLIER   -55.1   -38.0  Favored     ?    11   79.100     8  0.36    11  1.10  molprobity  1.000  
137  137  OUTLIER   -73.3   -28.8  Favored     ?     6   90.000     9  0.69    12  0.77  molprobity  1.000  
138  138  mttt      -68.0   -39.3  Favored     ?    13   83.730     9  0.34    11  0.33  molprobity  1.000  
139  139  t60       -55.8   -45.9  Favored     ?     7   67.360    11  0.19    15  0.19  molprobity  1.000  
140  140  tpp       -65.6   -38.1  Favored     ?     9   66.660     8  0.42    10  0.61  molprobity  1.000  
141  141  tttt      -68.7   -49.6  Favored     ?    13   79.510     9  0.42    11  0.51  molprobity  1.000  
142  142  tttt      -71.8   -43.2  Favored     ?    13   67.200     9  0.30    11  0.59  molprobity  1.000  
143  143  m95      -107.2    -7.6  Favored     ?    10   60.720    16  0.26    23  0.53  molprobity  1.000  
144  144  m-70     -128.5     4.2  Favored     ?     7   68.470    11  0.26    15  0.36  molprobity  1.000  
145  145  p        -103.7  -147.4  Allowed     ?     5   75.710     6  0.40     8  0.77  molprobity  1.000  
146  146  t0       -112.9   105.4  Favored     ?     4   83.740     8  0.45    11  0.89  molprobity  1.000  
147  147  OUTLIER       ?       ?  ?           ?    13   78.320    10  0.52    11  1.15  molprobity  1.000  
148  148  ?             ?       ?  ?           ?     ?   92.490     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?   51.390     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?   67.770     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?   73.270     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?   61.600     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?   67.240     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?   46.970     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?   63.080     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?   59.680     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?   90.070     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?   67.600     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?   71.450     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?   82.010     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?   77.920     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?   74.040     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?   69.120     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?   59.370     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?   76.840     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    4  HD11   1  0.72  1.89  
 2    4  N      2  0.56  2.20  
 3    4  HD12   2  0.56  2.20  
 4    4  HD13   3  0.49  1.78  
 5    4  HD23   4  0.43  2.54  
 6    5  O      5  0.45  2.17  
 7    6  HB2    5  0.45  2.17  
 8    7  N      6  0.72  2.22  
 9   17  HB2    7  0.43  2.01  
10   18  HB2    8  0.46  1.97  
11   19  HB2    9  0.44  2.17  
12   29  O     10  0.47  2.47  
13   36  CZ3    4  0.43  2.54  
14   45  NH2   11  0.74  2.21  
15   52  HB    12  0.57  1.86  
16   53  HB3   13  0.43  2.01  
17   64  HA    14  0.40  2.36  
18   65  HH21  15  0.40  1.85  
19   65  HG2   15  0.40  1.85  
20   67  NH2   16  0.74  2.20  
21   67  NH1   14  0.40  2.36  
22   72  NH2   10  0.47  2.47  
23   82  OE1    9  0.44  2.17  
24   83  HE3    8  0.46  1.97  
25   84  HA     7  0.43  2.01  
26   90  OD2   16  0.74  2.20  
27   91  HG23  17  0.41  2.03  
28  104  O     11  0.74  2.21  
29  112  H      3  0.49  1.78  
30  116  HA    17  0.41  2.03  
31  135  CG2   18  0.64  2.28  
32  135  HG23  19  0.57  1.86  
33  135  HG23  20  0.49  1.78  
34  135  HG21  21  0.48  1.93  
35  137  HG2   18  0.64  2.28  
36  137  HG2   19  0.57  1.86  
37  137  HG2   21  0.48  1.93  
38  137  CD    22  0.41  2.25  
39  137  H     22  0.41  2.25  
40  138  H     20  0.49  1.78  
41  145  OG    23  0.43  2.52  
42  146  N     23  0.43  2.52  
43  147  HG2   12  0.57  1.86  
44  147  NH1   24  0.43  2.34  
45  147  HG3   24  0.43  2.34  
46  147  HB2   13  0.43  2.01  
47  149  O      6  0.72  2.22  
48  157  O      1  0.72  1.89  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   9  0.756  0.430   3.456  
  2    2   7  0.891  0.241   1.358  
  3    3   9  0.880  0.288   1.524  
  4    4   8  0.904  0.327   2.595  
  5    5   7  0.883  0.260   1.677  
  6    6   9  0.747  0.362   2.026  
  7    7   6  0.845  0.216   1.017  
  8    8   4  0.840  0.211   0.966  
  9    9   4  0.891  0.150   0.069  
 10   10   4  0.930  0.136  -0.137  
 11   11   8  0.969  0.148  -0.325  
 12   12   7  0.960  0.186   0.437  
 13   13   9  0.924  0.231   0.748  
 14   14   5  0.943  0.132  -0.271  
 15   15   4  0.955  0.139  -0.093  
 16   16   8  0.893  0.162  -0.010  
 17   17   6  0.940  0.135  -0.241  
 18   18   8  0.932  0.181   0.214  
 19   19  11  0.893  0.268   1.122  
 20   20   8  0.951  0.165  -0.047  
 21   21   6  0.957  0.143  -0.116  
 22   22   6  0.807  0.167   0.687  
 23   23   5  0.947  0.152   0.053  
 24   24   5  0.973  0.119  -0.481  
 25   25   6  0.938  0.151   0.008  
 26   26   4  0.926  0.135  -0.151  
 27   27   6  0.875  0.139  -0.179  
 28   28   7  0.930  0.140  -0.195  
 29   29  11  0.964  0.175   0.281  
 30   30   6  0.851  0.115  -0.551  
 31   31   4  0.914  0.125  -0.299  
 32   32  12  0.932  0.144  -0.155  
 33   33   5  0.965  0.149   0.005  
 34   34   8  0.980  0.149       ?  
 35   35   4  0.979  0.105  -0.593  
 36   36  14  0.955  0.167   0.348  
 37   37  12  0.957  0.165   0.214  
 38   38  11  0.935  0.150  -0.443  
 39   39   9  0.927  0.176   0.000  
 40   40   5  0.958  0.114  -0.562  
 41   41   7  0.964  0.122  -0.406  
 42   42   4  0.945  0.165   0.290  
 43   43   9  0.903  0.268   0.861  
 44   44   9  0.748  0.192   0.041  
 45   45  11  0.929  0.189   0.074  
 46   46   9  0.932  0.122  -0.829  
 47   47   8  0.962  0.165  -0.047  
 48   48   7  0.963  0.220   1.007  
 49   49   5  0.953  0.187   0.621  
 50   50   5  0.926  0.108  -0.660  
 51   51   8  0.962  0.186   0.336  
 52   52   7  0.949  0.114  -0.617  
 53   53   6  0.922  0.093  -0.893  
 54   54   6  0.921  0.147  -0.054  
 55   55   4  0.927  0.113  -0.475  
 56   56   5  0.944  0.169   0.329  
 57   57   6  0.941  0.123  -0.427  
 58   58   7  0.919  0.138  -0.227  
 59   59  12  0.938  0.125  -0.489  
 60   60  12  0.945  0.159   0.109  
 61   61   5  0.979  0.105  -0.708  
 62   62   8  0.918  0.157  -0.080  
 63   63   6  0.936  0.130  -0.318  
 64   64   7  0.947  0.161   0.018  
 65   65  11  0.822  0.265   1.082  
 66   66   4  0.938  0.196   0.746  
 67   67  11  0.928  0.170  -0.178  
 68   68  11  0.978  0.161   0.047  
 69   69   7  0.958  0.098  -0.877  
 70   70   8  0.967  0.170   0.069  
 71   71   6  0.942  0.147  -0.054  
 72   72  11  0.942  0.157  -0.350  
 73   73   8  0.910  0.133  -0.418  
 74   74   8  0.920  0.155  -0.108  
 75   75   5  0.958  0.110  -0.627  
 76   76   9  0.970  0.124  -0.923  
 77   77   8  0.928  0.111  -0.720  
 78   78   7  0.962  0.114  -0.617  
 79   79   7  0.936  0.179   0.320  
 80   80  12  0.960  0.137  -0.278  
 81   81   8  0.966  0.164  -0.064  
 82   82   9  0.950  0.254   1.061  
 83   83   8  0.979  0.090       ?  
 84   84   8  0.927  0.255   1.395  
 85   85   6  0.920  0.174   0.365  
 86   86   8  0.968  0.175   0.116  
 87   87   9  0.922  0.204   0.068  
 88   88   7  0.944  0.164   0.250  
 89   89   9  0.887  0.264   0.935  
 90   90   8  0.878  0.128  -0.489  
 91   91   7  0.974  0.116  -0.584  
 92   92   5  0.982  0.136  -0.206  
 93   93   7  0.974  0.215   0.923  
 94   94  12  0.930  0.160   0.127  
 95   95  12  0.943  0.169   0.285  
 96   96   6  0.749  0.224   1.816  
 97   97   5  0.937  0.186   0.605  
 98   98   5  0.955  0.182   0.540  
 99   99   8  0.957  0.188   0.328  
100  100   8  0.945  0.153  -0.137  
101  101   9  0.959  0.132  -0.704  
102  102   4  0.962  0.145  -0.004  
103  103  12  0.960  0.184   0.548  
104  104   8  0.963  0.171   0.051  
105  105   8  0.937  0.147  -0.221  
106  106  12  0.927  0.161   0.144  
107  107   8  0.777  0.199   0.511  
108  108   6  0.942  0.148  -0.039  
109  109  14  0.944  0.134  -0.270  
110  110   4  0.675  0.225   1.172  
111  111   9  0.844  0.193   0.231  
112  112   4  0.894  0.213   0.996  
113  113   7  0.946  0.210   0.942  
114  114   9  0.950  0.210   0.463  
115  115   7  0.972  0.231   1.191  
116  116   7  0.948  0.201   0.795  
117  117   7  0.944  0.190   0.504  
118  118   6  0.885  0.180   0.458  
119  119   6  0.701  0.277   1.964  
120  120   7  0.860  0.193   0.554  
121  121  12  0.857  0.250   1.708  
122  122   9  0.927  0.202   0.043  
123  123   6  0.950  0.128  -0.085  
124  124   9  0.948  0.144  -0.555  
125  125   8  0.958  0.193   0.453  
126  126   6  0.952  0.144   0.232  
127  127   9  0.944  0.162  -0.452  
128  128   8  0.965  0.139  -0.239  
129  129   7  0.957  0.131  -0.266  
130  130  11  0.919  0.163   0.080  
131  131   6  0.710  0.272   1.887  
132  132   7  0.846  0.308   2.481  
133  133  12  0.524  0.640   8.562  
134  134   6  0.798  0.213   0.970  
135  135   7  0.862  0.121  -0.503  
136  136   8  0.924  0.220   0.850  
137  137   9  0.834  0.202   0.165  
138  138   9  0.919  0.215   0.204  
139  139  10  0.928  0.142  -0.212  
140  140   8  0.953  0.189   0.578  
141  141   9  0.908  0.258   0.737  
142  142   9  0.964  0.187  -0.143  
143  143  14  0.960  0.153   0.086  
144  144  10  0.937  0.154  -0.032  
145  145   6  0.906  0.232   1.266  
146  146   8  0.775  0.168   0.075  
147  147  11  0.664  0.360   2.342  
148  148   1  0.846  0.314       ?  
149  149   1  0.948  0.536       ?  
150  150   1  0.931  0.366       ?  
151  151   1  0.900  1.461       ?  
152  152   1  0.613  0.454       ?  
153  153   1  0.565  0.557       ?  
154  154   1  0.475  0.490       ?  
155  155   1  0.814  0.338       ?  
156  156   1  0.873  0.990       ?  
157  157   1  0.796  0.917       ?  
158  158   1  0.640  0.359       ?  
159  159   1  0.627  0.342       ?  
160  160   1  0.315  0.586       ?  
161  161   1  0.874  0.594       ?  
162  162   1  0.770  0.166       ?  
163  163   1  0.608  0.286       ?  
164  164   1  0.889  0.377       ?  
165  165   1  0.784  0.412       ?  
#
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          2.31.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
