data_3BZT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3BZT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3BZT
_pdbx_vrpt_summary.PDB_deposition_date         2008-01-18
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2021-10-20
_pdbx_vrpt_summary.report_creation_date        2021-10-11:10:31
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  EscU   
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.5  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   66.84  141614     ?     ?  
 2  2  1   53.31    3144  1.50  1.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3066  1.50  1.50  
 5  1  3   36.59  138945     ?     ?  
 6  2  3    9.20    3064  1.50  1.50  
 7  1  4   64.85  127900     ?     ?  
 8  2  4   69.69    2884  1.50  1.50  
 9  1  5   84.49  130704     ?     ?  
10  2  5   55.17    2936  1.50  1.50  
#
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   40.74  
4  6  3  A  1  1  A   12.14  
5  7  4  A  1  1  A   64.85  
6  8  4  A  1  1  A   69.69  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.65  0.54   910  1233  
2  1  2  B  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.41
_pdbx_vrpt_summary_geometry.clashscore                     3.86
_pdbx_vrpt_summary_geometry.num_H_reduce                   926
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 910
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.54
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1233
_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                 198.311
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            43.327
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         23.269
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.93(1.50A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        19404
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.252
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.357
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.495
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.331
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.968
_pdbx_vrpt_summary_diffraction.twin_fraction             -k,-h,-l:0.014
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.20
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.21
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[29.039,20.343,22.089,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.365
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.65% 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          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.50
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      992
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.11
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.98
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        45.69
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_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_bond_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   37  GLN  A  245  .  ?        ?     ?  
  2  1  1  A   38  SER  A  246  .  ?        ?     ?  
  3  1  1  A   39  GLY  A  247  .  ?        ?     ?  
  4  1  1  A   40  SER  A  248  .  ?        ?     ?  
  5  1  1  A   41  LEU  A  249  .  ?        ?     1  
  6  1  1  A   42  ALA  A  250  .  ?        ?     ?  
  7  1  1  A   43  ASN  A  251  .  ?        ?     ?  
  8  1  1  A   44  ASN  A  252  .  ?        ?     ?  
  9  1  1  A   45  ILE  A  253  .  ?        ?     ?  
 10  1  1  A   46  LYS  A  254  .  ?        ?     ?  
 11  1  1  A   47  LYS  A  255  .  ?        ?     1  
 12  1  1  A   48  SER  A  256  A  ?        ?     ?  
 13  1  1  A   48  SER  A  256  B  ?        ?     ?  
 14  1  1  A   49  THR  A  257  .  ?        ?     ?  
 15  1  1  A   50  VAL  A  258  .  ?        ?     ?  
 16  1  1  A   51  ILE  A  259  .  ?        ?     ?  
 17  1  1  A   52  VAL  A  260  A  ?        ?     ?  
 18  1  1  A   52  VAL  A  260  B  ?        ?     ?  
 19  1  1  A   53  LYS  A  261  A  ?        ?     ?  
 20  1  1  A   53  LYS  A  261  B  ?        ?     ?  
 21  1  1  A   54  ASN  A  262  .  ?        ?     4  
 22  1  1  A   55  ALA  A  263  .  ?        ?     ?  
 23  1  1  A   56  THR  A  264  .  ?        ?     ?  
 24  1  1  A   57  HIS  A  265  .  ?        ?     ?  
 25  1  1  A   58  ILE  A  266  A  ?        ?     ?  
 26  1  1  A   58  ILE  A  266  B  ?        ?     ?  
 27  1  1  A   59  ALA  A  267  .  ?        ?     ?  
 28  1  1  A   60  ILE  A  268  .  ?        ?     ?  
 29  1  1  A   61  CYS  A  269  A  ?        ?     ?  
 30  1  1  A   61  CYS  A  269  B  ?        ?     ?  
 31  1  1  A   62  LEU  A  270  .  ?        ?     ?  
 32  1  1  A   63  TYR  A  271  .  ?        ?     ?  
 33  1  1  A   64  TYR  A  272  .  ?        ?     ?  
 34  1  1  A   65  LYS  A  273  .  ?        ?     ?  
 35  1  1  A   66  LEU  A  274  .  ?        ?     ?  
 36  1  1  A   67  GLY  A  275  .  ?        ?     ?  
 37  1  1  A   68  GLU  A  276  .  ?        ?     ?  
 38  1  1  A   69  THR  A  277  .  ?        ?     ?  
 39  1  1  A   70  PRO  A  278  .  ?        ?     ?  
 40  1  1  A   71  LEU  A  279  .  ?        ?     ?  
 41  1  1  A   72  PRO  A  280  .  ?        ?     ?  
 42  1  1  A   73  LEU  A  281  .  ?        ?     ?  
 43  1  1  A   74  VAL  A  282  .  ?        ?     ?  
 44  1  1  A   75  ILE  A  283  A  ?        ?     1  
 45  1  1  A   75  ILE  A  283  B  ?        ?     ?  
 46  1  1  A   76  GLU  A  284  A  ?        ?     ?  
 47  1  1  A   76  GLU  A  284  B  ?        ?     1  
 48  1  1  A   77  THR  A  285  .  ?        ?     ?  
 49  1  1  A   78  GLY  A  286  .  ?        ?     ?  
 50  1  1  A   79  LYS  A  287  .  ?        ?     ?  
 51  1  1  A   80  ASP  A  288  .  ?        1     ?  
 52  1  1  A   81  ALA  A  289  .  ?        ?     ?  
 53  1  1  A   82  LYS  A  290  .  ?        ?     ?  
 54  1  1  A   83  ALA  A  291  .  ?        ?     ?  
 55  1  1  A   84  LEU  A  292  .  ?        ?     ?  
 56  1  1  A   85  GLN  A  293  .  ?        ?     ?  
 57  1  1  A   86  ILE  A  294  .  ?        ?     ?  
 58  1  1  A   87  ILE  A  295  .  ?        ?     ?  
 59  1  1  A   88  LYS  A  296  .  ?        ?     ?  
 60  1  1  A   89  LEU  A  297  .  ?        ?     ?  
 61  1  1  A   90  ALA  A  298  .  ?        ?     ?  
 62  1  1  A   91  GLU  A  299  .  ?        ?     1  
 63  1  1  A   92  LEU  A  300  .  ?        ?     ?  
 64  1  1  A   93  TYR  A  301  .  ?        ?     ?  
 65  1  1  A   94  ASP  A  302  A  ?        ?     ?  
 66  1  1  A   94  ASP  A  302  B  ?        ?     ?  
 67  1  1  A   95  ILE  A  303  .  ?        ?     ?  
 68  1  1  A   96  PRO  A  304  .  ?        ?     ?  
 69  1  1  A   97  VAL  A  305  .  ?        ?     ?  
 70  1  1  A   98  ILE  A  306  .  ?        ?     ?  
 71  1  1  A   99  GLU  A  307  .  ?        ?     ?  
 72  1  1  A  100  ASP  A  308  .  ?        ?     ?  
 73  1  1  A  101  ILE  A  309  .  ?        ?     ?  
 74  1  1  A  102  PRO  A  310  .  ?        ?     ?  
 75  1  1  A  103  LEU  A  311  .  ?        ?     ?  
 76  1  1  A  104  ALA  A  312  .  ?        ?     ?  
 77  1  1  A  105  ARG  A  313  A  ?        ?     ?  
 78  1  1  A  105  ARG  A  313  B  ?        ?     ?  
 79  1  1  A  106  SER  A  314  A  ?        ?     ?  
 80  1  1  A  106  SER  A  314  B  ?        ?     ?  
 81  1  1  A  107  LEU  A  315  .  ?        ?     ?  
 82  1  1  A  108  TYR  A  316  .  ?        ?     ?  
 83  1  1  A  109  LYS  A  317  .  ?        ?     ?  
 84  1  1  A  110  ASN  A  318  .  ?        ?     ?  
 85  1  1  A  111  ILE  A  319  .  ?        ?     ?  
 86  1  1  A  112  HIS  A  320  .  ?        ?     ?  
 87  1  1  A  113  LYS  A  321  .  ?        ?     ?  
 88  1  1  A  114  GLY  A  322  .  ?        ?     ?  
 89  1  1  A  115  GLN  A  323  .  ?        ?     ?  
 90  1  1  A  116  TYR  A  324  .  ?        ?     ?  
 91  1  1  A  117  ILE  A  325  .  ?        ?     ?  
 92  1  1  A  118  THR  A  326  .  ?        ?     ?  
 93  1  1  A  119  GLU  A  327  .  ?        ?     ?  
 94  1  1  A  120  ASP  A  328  .  ?        ?     ?  
 95  1  1  A  121  PHE  A  329  .  ?        ?     ?  
 96  1  1  A  122  PHE  A  330  .  ?        ?     ?  
 97  1  1  A  123  GLU  A  331  A  ?        ?     2  
 98  1  1  A  123  GLU  A  331  B  ?        ?     ?  
 99  1  1  A  124  PRO  A  332  .  ?        ?     ?  
100  1  1  A  125  VAL  A  333  .  ?        ?     ?  
101  1  1  A  126  ALA  A  334  .  ?        ?     ?  
102  1  1  A  127  GLN  A  335  A  ?        ?     2  
103  1  1  A  127  GLN  A  335  B  ?        ?     ?  
104  1  1  A  128  LEU  A  336  .  ?        ?     ?  
105  1  1  A  129  ILE  A  337  .  ?        ?     ?  
106  1  1  A  130  ARG  A  338  .  ?        ?     ?  
107  1  1  A  131  ILE  A  339  .  ?        ?     ?  
108  1  1  A  132  ALA  A  340  .  ?        ?     ?  
109  1  1  A  133  ILE  A  341  .  ?        ?     ?  
110  1  1  A  134  ASP  A  342  .  ?        ?     ?  
111  1  1  A  135  LEU  A  343  .  ?        ?     ?  
112  1  1  A  136  ASP  A  344  .  ?        ?     ?  
113  1  1  A  137  TYR  A  345  .  ?        ?     ?  
114  1  2  B    .  HOH  A    4  .  ?        ?     ?  
115  1  2  B    .  HOH  A   12  .  ?        ?     ?  
116  1  2  B    .  HOH  A   15  .  ?        ?     ?  
117  1  2  B    .  HOH  A   28  .  ?        ?     ?  
118  1  2  B    .  HOH  A   85  .  ?        ?     ?  
119  1  2  B    .  HOH  A  103  .  ?        ?     ?  
120  1  2  B    .  HOH  A  104  .  ?        ?     ?  
121  1  2  B    .  HOH  A  105  .  ?        ?     ?  
122  1  2  B    .  HOH  A  106  .  ?        ?     ?  
123  1  2  B    .  HOH  A  107  .  ?        ?     ?  
124  1  2  B    .  HOH  A  111  .  ?        ?     ?  
125  1  2  B    .  HOH  A  112  .  ?        ?     ?  
126  1  2  B    .  HOH  A  114  .  ?        ?     ?  
127  1  2  B    .  HOH  A  115  .  ?        ?     ?  
128  1  2  B    .  HOH  A  116  .  ?        ?     ?  
129  1  2  B    .  HOH  A  117  .  ?        ?     ?  
130  1  2  B    .  HOH  A  118  .  ?        ?     ?  
131  1  2  B    .  HOH  A  119  .  ?        ?     ?  
132  1  2  B    .  HOH  A  120  .  ?        ?     ?  
133  1  2  B    .  HOH  A  121  .  ?        ?     ?  
134  1  2  B    .  HOH  A  123  .  ?        ?     ?  
135  1  2  B    .  HOH  A  124  .  ?        ?     ?  
136  1  2  B    .  HOH  A  127  .  ?        ?     ?  
137  1  2  B    .  HOH  A  129  .  ?        ?     ?  
138  1  2  B    .  HOH  A  130  .  ?        ?     ?  
139  1  2  B    .  HOH  A  131  .  ?        ?     ?  
140  1  2  B    .  HOH  A  133  .  ?        ?     ?  
141  1  2  B    .  HOH  A  136  .  ?        ?     ?  
142  1  2  B    .  HOH  A  138  .  ?        ?     ?  
143  1  2  B    .  HOH  A  141  .  ?        ?     ?  
144  1  2  B    .  HOH  A  142  .  ?        ?     ?  
145  1  2  B    .  HOH  A  144  .  ?        ?     ?  
146  1  2  B    .  HOH  A  145  .  ?        ?     ?  
147  1  2  B    .  HOH  A  146  .  ?        ?     ?  
148  1  2  B    .  HOH  A  147  .  ?        ?     ?  
149  1  2  B    .  HOH  A  148  .  ?        ?     ?  
150  1  2  B    .  HOH  A  149  .  ?        ?     ?  
151  1  2  B    .  HOH  A  150  .  ?        ?     ?  
152  1  2  B    .  HOH  A  156  .  ?        ?     1  
153  1  2  B    .  HOH  A  158  .  ?        ?     ?  
154  1  2  B    .  HOH  A  159  .  ?        ?     ?  
155  1  2  B    .  HOH  A  160  .  ?        ?     ?  
156  1  2  B    .  HOH  A  162  .  ?        ?     ?  
157  1  2  B    .  HOH  A  164  .  ?        ?     ?  
158  1  2  B    .  HOH  A  168  .  ?        ?     ?  
159  1  2  B    .  HOH  A  169  .  ?        ?     ?  
160  1  2  B    .  HOH  A  170  .  ?        ?     ?  
161  1  2  B    .  HOH  A  171  .  ?        ?     ?  
162  1  2  B    .  HOH  A  172  .  ?        ?     ?  
163  1  2  B    .  HOH  A  173  .  ?        ?     ?  
164  1  2  B    .  HOH  A  175  .  ?        ?     ?  
165  1  2  B    .  HOH  A  176  .  ?        ?     ?  
166  1  2  B    .  HOH  A  177  .  ?        ?     ?  
167  1  2  B    .  HOH  A  178  .  ?        ?     ?  
168  1  2  B    .  HOH  A  179  .  ?        ?     ?  
169  1  2  B    .  HOH  A  181  .  ?        ?     ?  
170  1  2  B    .  HOH  A  182  .  ?        ?     ?  
171  1  2  B    .  HOH  A  183  .  ?        ?     ?  
172  1  2  B    .  HOH  A  184  .  ?        ?     ?  
173  1  2  B    .  HOH  A  185  .  ?        ?     ?  
174  1  2  B    .  HOH  A  186  .  ?        ?     ?  
175  1  2  B    .  HOH  A  187  .  ?        ?     ?  
176  1  2  B    .  HOH  A  188  .  ?        ?     ?  
177  1  2  B    .  HOH  A  189  .  ?        ?     ?  
178  1  2  B    .  HOH  A  190  .  ?        ?     ?  
#
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  mt-30         ?       ?  ?           ?     7  18.970     9  0.66    12  0.30  molprobity  0.556  
  2    2  m         -60.1   130.2  Favored     ?     5  13.850     6  0.37     8  0.61  molprobity  1.000  
  3    3  ?         106.2   -15.8  Favored     ?     3  13.680     4  0.66     5  0.48  molprobity  1.000  
  4    4  p         -60.2   -41.0  Favored     ?     5  13.980     6  0.26     8  0.50  molprobity  1.000  
  5    5  tp        -62.8   -51.5  Favored     ?    11  11.530     8  0.43    11  0.47  molprobity  1.000  
  6    6  ?         -62.0   -40.5  Favored     ?     5  10.330     5  0.22     7  0.52  molprobity  1.000  
  7    7  m-20      -64.4   -36.4  Favored     ?     6  12.220     8  0.36    11  0.44  molprobity  1.000  
  8    8  m-20      -65.9   -44.0  Favored     ?     6  11.760     8  0.26    11  0.37  molprobity  1.000  
  9    9  mm        -66.1   -42.6  Favored     ?    11  12.950     8  0.40    11  0.60  molprobity  1.000  
 10   10  tttt      -56.9   -36.7  Favored     ?    13  12.550     9  0.38    11  0.43  molprobity  0.944  
 11   11  pttt      -91.3    -3.2  Favored     ?    13  14.610     9  0.52    11  0.76  molprobity  1.000  
 12   12  m         -75.6   159.7  Favored     ?     4  12.030     6  0.81     8  0.45  molprobity  1.000  
 13   13  m         -75.6   159.7  Favored     ?     5  12.030     6  0.81     8  0.45  molprobity  1.000  
 14   14  m         -89.4   -46.2  Favored     ?     6  10.930     7  0.44    10  0.62  molprobity  1.000  
 15   15  p        -160.2   148.3  Favored     ?     9   9.960     7  0.86    10  0.55  molprobity  1.000  
 16   16  mt       -115.7   134.9  Favored     ?    11  12.390     8  0.54    11  0.67  molprobity  1.000  
 17   17  p        -106.7   134.9  Favored     ?     9   9.750     7  0.36    10  0.73  molprobity  1.000  
 18   18  p        -106.7   134.9  Favored     ?     9   9.750     7  0.36    10  0.73  molprobity  1.000  
 19   19  pttt     -139.2   158.4  Favored     ?    13   9.450     9  0.40    11  0.56  molprobity  1.000  
 20   20  pttt     -139.2   158.4  Favored     ?    13   9.450     9  0.40    11  0.56  molprobity  1.000  
 21   21  OUTLIER  -118.1   100.5  Favored     1     5  10.100     8  0.33    11  0.93  molprobity  1.000  
 22   22  ?          53.0  -129.9  Favored     ?     5  12.970     5  0.55     7  0.73  molprobity  1.000  
 23   23  p        -109.1    20.5  Favored     ?     7  15.290     7  0.43    10  0.53  molprobity  1.000  
 24   24  t60       -90.6   -40.7  Favored     ?     7  14.010    11  0.20    15  0.40  molprobity  1.000  
 25   25  mm       -137.2   135.9  Favored     ?    11  10.280     8  0.57    11  0.75  molprobity  1.000  
 26   26  mm       -137.2   135.9  Favored     ?    11  10.280     8  0.57    11  0.75  molprobity  1.000  
 27   27  ?        -135.4   134.5  Favored     ?     5   9.710     5  0.73     7  0.67  molprobity  1.000  
 28   28  mm       -120.0   123.9  Favored     ?    11  11.180     8  0.34    11  0.87  molprobity  1.000  
 29   29  t        -103.0   118.6  Favored     ?     4  10.770     6  0.39     8  0.71  molprobity  1.000  
 30   30  t        -103.0   118.6  Favored     ?     5  10.770     6  0.39     8  0.71  molprobity  1.000  
 31   31  mt       -104.9   140.9  Favored     ?    11  11.000     8  0.35    11  0.51  molprobity  1.000  
 32   32  t80      -129.4   127.7  Favored     ?     9  11.390    13  0.55    18  0.46  molprobity  1.000  
 33   33  t80      -142.3   121.0  Favored     ?     9   9.340    13  0.49    18  0.69  molprobity  1.000  
 34   34  tttt     -133.3   121.5  Favored     ?    13  16.250     9  0.32    11  0.59  molprobity  1.000  
 35   35  OUTLIER   -48.6   130.3  Favored     ?    11  16.740     8  0.34    11  0.77  molprobity  1.000  
 36   36  ?          82.5    -7.9  Favored     ?     3  15.790     4  0.27     5  0.31  molprobity  1.000  
 37   37  tt0      -111.6   -67.0  Allowed     ?     6  16.000     9  0.50    12  0.46  molprobity  0.833  
 38   38  p         -88.4   122.2  Favored     ?     7  12.090     7  0.40    11  0.57  molprobity  1.000  
 39   39  Cg_endo   -71.0   -20.6  Favored     ?     7   9.720     8  0.26    11  0.62  molprobity  1.000  
 40   40  mt       -143.9   160.3  Favored     ?    11   8.270     8  0.32    12  0.79  molprobity  1.000  
 41   41  Cg_exo    -56.9   139.1  Favored     ?     7   7.860     8  0.40    11  0.67  molprobity  1.000  
 42   42  tp       -116.2   136.0  Favored     ?    11  11.960     8  0.32    11  1.16  molprobity  1.000  
 43   43  t         -82.0   107.6  Favored     ?     9   9.210     7  0.49    10  0.64  molprobity  1.000  
 44   44  tt        -96.3   -18.7  Favored     ?    11   9.780     8  0.43    11  0.55  molprobity  1.000  
 45   45  tt        -96.3   -18.7  Favored     ?    11   9.780     8  0.43    11  0.55  molprobity  1.000  
 46   46  mm-40    -155.6   145.5  Favored     ?     6  10.180     9  0.47    12  0.81  molprobity  1.000  
 47   47  mm-40    -155.6   145.5  Favored     ?     6  10.180     9  0.47    12  0.81  molprobity  1.000  
 48   48  p        -134.7   157.0  Favored     ?     6   9.960     7  0.40    10  0.87  molprobity  1.000  
 49   49  ?        -150.1   141.4  Favored     ?     3   9.060     4  0.41     5  0.59  molprobity  1.000  
 50   50  ttmt     -117.9   141.6  Favored     ?    13  11.630     9  0.39    11  0.59  molprobity  1.000  
 51   51  m-20       56.2  -118.0  Allowed     ?     4  11.740     8  2.69    11  1.37  molprobity  1.000  
 52   52  ?         -52.6   -44.3  Favored     ?     5  10.240     5  0.13     7  0.44  molprobity  1.000  
 53   53  tttt      -67.7   -35.4  Favored     ?    13  13.370     9  0.29    11  0.45  molprobity  1.000  
 54   54  ?         -60.0   -45.0  Favored     ?     5   9.670     5  0.37     7  0.58  molprobity  1.000  
 55   55  tp        -59.9   -43.7  Favored     ?    11  15.200     8  0.33    11  0.42  molprobity  1.000  
 56   56  tt0       -61.9   -41.2  Favored     ?     8  15.630     9  1.05    12  0.50  molprobity  1.000  
 57   57  mt        -60.0   -45.2  Favored     ?    11  13.710     8  0.29    11  0.43  molprobity  1.000  
 58   58  mt        -62.8   -40.5  Favored     ?    11  16.360     8  0.27    11  0.53  molprobity  1.000  
 59   59  mttt      -65.2   -42.7  Favored     ?    13  13.870     9  0.47    11  0.53  molprobity  1.000  
 60   60  mt        -66.7   -36.6  Favored     ?    11  12.700     8  0.30    11  0.45  molprobity  1.000  
 61   61  ?         -58.9   -43.3  Favored     ?     5  14.090     5  0.34     7  0.36  molprobity  1.000  
 62   62  mt-10     -60.2   -46.9  Favored     ?     6  16.910     9  0.39    12  0.62  molprobity  0.833  
 63   63  tp        -57.5   -39.4  Favored     ?    11  13.410     8  0.40    11  0.68  molprobity  1.000  
 64   64  m-85     -102.5     9.2  Favored     ?     9  11.570    13  0.34    18  0.51  molprobity  1.000  
 65   65  m-20       52.7    51.0  Favored     ?     4  14.280     8  0.39    11  0.55  molprobity  1.000  
 66   66  m-20       52.7    51.0  Favored     ?     4  14.280     8  0.39    11  0.55  molprobity  1.000  
 67   67  mm        -94.7   125.3  Favored     ?    10  11.850     8  0.21    12  0.77  molprobity  1.000  
 68   68  Cg_exo    -57.6   135.3  Favored     ?     7  12.180     8  0.38    11  0.50  molprobity  1.000  
 69   69  t        -121.8   126.9  Favored     ?     9  14.730     7  0.33    10  0.63  molprobity  1.000  
 70   70  mt       -120.0   128.8  Favored     ?    11  15.140     8  0.39    11  0.73  molprobity  1.000  
 71   71  tt0       -86.4   122.2  Favored     ?     6  17.390     9  0.56    12  0.73  molprobity  1.000  
 72   72  t0       -150.6    99.7  Favored     ?     4  14.160     8  0.27    11  0.88  molprobity  1.000  
 73   73  mt        -69.0   -48.8  Favored     ?    11  13.780     8  0.29    12  0.78  molprobity  1.000  
 74   74  Cg_exo    -60.3   -38.8  Favored     ?     7  13.910     8  0.36    11  0.38  molprobity  1.000  
 75   75  tp        -68.7   -43.9  Favored     ?    11  12.370     8  0.32    11  0.52  molprobity  1.000  
 76   76  ?         -61.1   -44.7  Favored     ?     5  11.190     5  0.32     7  0.22  molprobity  1.000  
 77   77  mtt85     -56.8   -49.6  Favored     ?    13  12.240    11  0.33    14  0.63  molprobity  1.000  
 78   78  mtt85     -56.8   -49.6  Favored     ?    13  12.240    11  0.33    14  0.63  molprobity  1.000  
 79   79  t         -72.7   -35.5  Favored     ?     5  10.140     6  0.37     8  0.58  molprobity  1.000  
 80   80  t         -72.7   -35.5  Favored     ?     5  10.140     6  0.37     8  0.58  molprobity  1.000  
 81   81  mt        -61.6   -44.9  Favored     ?    10  10.950     8  0.55    11  0.40  molprobity  1.000  
 82   82  t80       -59.7   -41.2  Favored     ?     9  10.380    13  0.44    18  0.39  molprobity  1.000  
 83   83  ttmt      -72.0   -37.6  Favored     ?    13  11.790     9  0.61    11  0.60  molprobity  0.833  
 84   84  m-80      -99.3   -34.9  Favored     ?     6  12.510     8  0.31    11  0.70  molprobity  1.000  
 85   85  mm       -116.1   105.6  Favored     ?    11  12.420     8  0.46    11  0.71  molprobity  1.000  
 86   86  m170      -78.4   160.7  Favored     ?     7  14.210    11  0.35    15  0.34  molprobity  1.000  
 87   87  tttt      -53.8   131.1  Favored     ?    13  12.570     9  0.30    11  0.46  molprobity  1.000  
 88   88  ?          86.4     4.4  Favored     ?     3  11.490     4  0.52     5  0.41  molprobity  1.000  
 89   89  mt-30    -105.5   144.2  Favored     ?     8  13.400     9  0.66    12  0.64  molprobity  1.000  
 90   90  m-85      -73.7   148.8  Favored     ?     9  10.820    13  0.44    18  0.67  molprobity  1.000  
 91   91  pt        -62.4   153.4  Favored     ?    11  10.450     8  0.41    11  0.52  molprobity  1.000  
 92   92  p        -103.7   172.9  Favored     ?     7  10.260     7  0.46    10  0.55  molprobity  1.000  
 93   93  pt-20     -53.9   -36.6  Favored     ?     6  11.750     9  0.49    12  0.63  molprobity  0.833  
 94   94  m-20      -60.9   -24.7  Favored     ?     4  13.420     8  0.41    11  1.12  molprobity  1.000  
 95   95  m-85      -99.5    -6.0  Favored     ?     9  10.580    12  0.67    16  0.70  molprobity  1.000  
 96   96  m-30      -55.5   -48.8  Favored     ?     9   9.750    12  0.68    16  0.90  molprobity  1.000  
 97   97  tp10      -75.3   -48.2  Favored     ?     6  12.460     9  0.65    13  0.73  molprobity  1.000  
 98   98  tp10      -75.3   -48.2  Favored     ?     6  12.460     9  0.65    13  0.73  molprobity  1.000  
 99   99  Cg_exo    -55.5   -40.9  Favored     ?     7   9.910     8  0.54    11  0.39  molprobity  1.000  
100  100  t         -71.0   -37.1  Favored     ?     9  10.010     7  0.66    10  0.64  molprobity  1.000  
101  101  ?         -57.7   -40.8  Favored     ?     5  10.540     5  0.20     7  0.28  molprobity  1.000  
102  102  mt-30     -63.8   -35.4  Favored     1     8  13.280     9  0.33    12  0.32  molprobity  1.000  
103  103  mt-30     -63.8   -35.4  Favored     1     8  13.280     9  0.33    12  0.32  molprobity  1.000  
104  104  mt        -67.8   -44.1  Favored     ?    10  13.350     8  0.50    11  1.22  molprobity  1.000  
105  105  mt        -62.5   -40.8  Favored     ?    11  11.200     8  0.30    11  0.32  molprobity  1.000  
106  106  mtt-85    -61.7   -39.8  Favored     ?    13  12.610    11  0.78    14  0.81  molprobity  1.000  
107  107  mt        -68.1   -33.3  Favored     ?    11  14.180     8  0.70    11  0.65  molprobity  1.000  
108  108  ?         -89.5   -27.4  Favored     ?     5  12.600     5  0.46     7  1.01  molprobity  1.000  
109  109  OUTLIER   -64.3   139.8  Favored     ?    11  15.670     8  0.31    11  0.91  molprobity  1.000  
110  110  t0        -83.7   125.2  Favored     ?     4  17.980     8  0.37    11  0.85  molprobity  1.000  
111  111  mt        -82.5    -7.6  Favored     ?    11  18.020     8  0.33    11  0.48  molprobity  1.000  
112  112  m-20       63.9    27.0  Favored     ?     4  19.880     8  0.35    11  0.86  molprobity  1.000  
113  113  p90           ?       ?  ?           ?     9  16.510    13  1.13    15  0.73  molprobity  1.000  
114  114  ?             ?       ?  ?           ?     ?  26.100     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?     ?  27.850     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?     ?  40.040     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?     ?  33.360     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?     ?  27.700     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?     ?  28.450     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?     ?  20.710     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?     ?  31.070     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?     ?  30.210     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?     ?  25.740     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?     ?  39.050     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?     ?  52.470     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?     ?  26.380     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?     ?  37.450     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?     ?  39.090     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?     ?  25.750     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?     ?  29.640     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?     ?  26.960     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?     ?  27.060     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?     ?  26.490     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?     ?  33.700     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?     ?  34.710     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?     ?  27.710     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?     ?  44.350     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?     ?  39.760     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?  39.280     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?  36.540     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?  32.520     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  36.260     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?  34.050     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?  37.300     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?  36.530     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?  22.770     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?  31.620     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?  40.370     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?  36.760     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?  50.960     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?  31.550     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?  42.890     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  30.290     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?  39.140     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?  49.930     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?  38.050     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?  39.440     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?  32.250     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  46.780     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  37.770     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  39.720     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  37.710     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?  42.170     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  38.750     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  46.230     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  49.370     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  40.380     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  38.630     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  44.930     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  40.620     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  42.080     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  44.430     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  38.040     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  45.830     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  51.300     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  45.820     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  38.030     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?  41.510     ?     ?     ?     ?  ?           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    5  CD1   1  0.41  2.51  
 2   11  HE2   2  0.50  1.93  
 3   21  C     3  0.44  2.69  
 4   21  C     4  0.42  2.22  
 5   21  ND2   3  0.44  2.69  
 6   21  HD22  4  0.42  2.22  
 7   44  HD11  2  0.50  1.93  
 8   47  HG2   1  0.41  2.51  
 9   62  HG3   5  0.52  2.09  
10   97  HG3   6  0.66  1.59  
11   97  HG3   7  0.42  2.32  
12  102  HE21  6  0.66  1.59  
13  102  NE2   7  0.42  2.32  
14  152  O     5  0.52  2.09  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  51
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       CG
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       OD1
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.379
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.249
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.023
_pdbx_vrpt_instance_intra_bond_outliers.Z            5.64
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.836  0.159   0.946  
  2    2   6  0.886  0.108   0.402  
  3    3   4  0.973  0.106   0.518  
  4    4   6  0.900  0.080  -0.161  
  5    5   8  0.977  0.051  -1.142  
  6    6   5  0.980  0.084   0.042  
  7    7   8  0.959  0.080  -0.238  
  8    8   8  0.980  0.050  -0.812  
  9    9   8  0.964  0.076  -0.392  
 10   10   9  0.971  0.080  -0.673  
 11   11   9  0.951  0.088  -0.539  
 12   12  12  0.982  0.059  -0.582  
 13   13  12  0.982  0.059  -0.582  
 14   14   7  0.975  0.070  -0.326  
 15   15   7  0.976  0.056  -0.901  
 16   16   8  0.976  0.068  -0.646  
 17   17  14  0.963  0.085  -0.030  
 18   18  14  0.963  0.085  -0.030  
 19   19  18  0.966  0.076  -0.740  
 20   20  18  0.966  0.076  -0.740  
 21   21   8  0.965  0.085  -0.142  
 22   22   5  0.980  0.138   1.365  
 23   23   7  0.895  0.204   2.864  
 24   24  10  0.898  0.152   1.241  
 25   25  13  0.966  0.085  -0.108  
 26   26  13  0.966  0.085  -0.108  
 27   27   5  0.968  0.054  -0.694  
 28   28   8  0.971  0.064  -0.772  
 29   29   9  0.979  0.053  -0.659  
 30   30   9  0.979  0.053  -0.659  
 31   31   8  0.984  0.073  -0.479  
 32   32  12  0.955  0.068  -0.388  
 33   33  12  0.938  0.072  -0.265  
 34   34   9  0.926  0.196   1.270  
 35   35   8  0.905  0.121   0.967  
 36   36   4  0.712  0.239   3.330  
 37   37   9  0.849  0.194   1.178  
 38   38   7  0.970  0.064  -0.469  
 39   39   7  0.974  0.061  -0.556  
 40   40   8  0.976  0.082  -0.208  
 41   41   7  0.967  0.058  -0.623  
 42   42   8  0.967  0.084  -0.148  
 43   43   7  0.969  0.074  -0.360  
 44   44  13  0.982  0.075  -0.424  
 45   45  13  0.982  0.075  -0.424  
 46   46  18  0.967  0.079  -0.602  
 47   47  18  0.967  0.079  -0.602  
 48   48   7  0.925  0.080  -0.088  
 49   49   4  0.963  0.065  -0.349  
 50   50   9  0.900  0.143   0.382  
 51   51   8  0.911  0.086  -0.201  
 52   52   5  0.943  0.087   0.115  
 53   53   9  0.962  0.066  -0.908  
 54   54   5  0.970  0.064  -0.449  
 55   55   8  0.969  0.128   1.178  
 56   56   9  0.895  0.101  -0.070  
 57   57   8  0.931  0.067  -0.677  
 58   58   8  0.947  0.113   0.778  
 59   59   9  0.981  0.094  -0.439  
 60   60   8  0.970  0.062  -0.810  
 61   61   5  0.946  0.059  -0.571  
 62   62   9  0.904  0.183   1.008  
 63   63   8  0.955  0.068  -0.630  
 64   64  12  0.961  0.058  -0.695  
 65   65  16  0.960  0.111   0.240  
 66   66  16  0.960  0.111   0.240  
 67   67   8  0.952  0.065  -0.741  
 68   68   7  0.963  0.050  -0.799  
 69   69   7  0.978  0.060  -0.781  
 70   70   8  0.934  0.082  -0.203  
 71   71   9  0.926  0.120   0.033  
 72   72   8  0.943  0.069  -0.501  
 73   73   8  0.987  0.058  -0.962  
 74   74   7  0.963  0.078  -0.181  
 75   75   8  0.980  0.109   0.605  
 76   76   5  0.963  0.109   0.654  
 77   77  22  0.947  0.152   0.780  
 78   78  22  0.947  0.152   0.780  
 79   79  12  0.957  0.102   0.281  
 80   80  12  0.957  0.102   0.281  
 81   81   8  0.968  0.094   0.154  
 82   82  12  0.955  0.078  -0.080  
 83   83   9  0.965  0.094  -0.439  
 84   84   8  0.947  0.070  -0.429  
 85   85   8  0.972  0.101   0.399  
 86   86  10  0.923  0.092   0.057  
 87   87   9  0.963  0.060  -1.008  
 88   88   4  0.963  0.052  -0.624  
 89   89   9  0.871  0.132   0.473  
 90   90  12  0.943  0.081   0.012  
 91   91   8  0.975  0.094   0.177  
 92   92   7  0.977  0.071  -0.302  
 93   93   9  0.986  0.071  -0.726  
 94   94   8  0.976  0.054  -0.765  
 95   95  11  0.973  0.076  -0.168  
 96   96  11  0.980  0.060  -0.676  
 97   97  15  0.977  0.107  -0.169  
 98   98  15  0.977  0.107  -0.169  
 99   99   7  0.975  0.071  -0.336  
100  100   7  0.977  0.068  -0.541  
101  101   5  0.984  0.046  -0.890  
102  102  18  0.959  0.103  -0.035  
103  103  18  0.959  0.103  -0.035  
104  104   8  0.977  0.053  -1.081  
105  105   8  0.975  0.079  -0.297  
106  106  11  0.923  0.097  -0.171  
107  107   8  0.915  0.119   0.968  
108  108   5  0.936  0.071  -0.277  
109  109   8  0.909  0.145   1.791  
110  110   8  0.909  0.120   0.399  
111  111   8  0.840  0.126   1.117  
112  112   8  0.821  0.139   0.734  
113  113  13  0.844  0.134   1.643  
114  114   1  0.973  0.052       ?  
115  115   1  0.981  0.090       ?  
116  116   1  0.904  0.097       ?  
117  117   1  0.932  0.062       ?  
118  118   1  0.986  0.050       ?  
119  119   1  0.982  0.204       ?  
120  120   1  0.989  0.089       ?  
121  121   1  0.971  0.057       ?  
122  122   1  0.939  0.072       ?  
123  123   1  0.981  0.067       ?  
124  124   1  0.894  0.178       ?  
125  125   1  0.821  0.159       ?  
126  126   1  0.979  0.123       ?  
127  127   1  0.903  0.058       ?  
128  128   1  0.906  0.279       ?  
129  129   1  0.984  0.083       ?  
130  130   1  0.983  0.056       ?  
131  131   1  0.966  0.066       ?  
132  132   1  0.951  0.110       ?  
133  133   1  0.962  0.139       ?  
134  134   1  0.952  0.057       ?  
135  135   1  0.925  0.109       ?  
136  136   1  0.969  0.109       ?  
137  137   1  0.846  0.292       ?  
138  138   1  0.869  0.101       ?  
139  139   1  0.938  0.307       ?  
140  140   1  0.956  0.269       ?  
141  141   1  0.944  0.045       ?  
142  142   1  0.951  0.210       ?  
143  143   1  0.889  0.245       ?  
144  144   1  0.887  0.102       ?  
145  145   1  0.918  0.089       ?  
146  146   1  0.989  0.055       ?  
147  147   1  0.953  0.131       ?  
148  148   1  0.902  0.236       ?  
149  149   1  0.874  0.078       ?  
150  150   1  0.857  0.122       ?  
151  151   1  0.970  0.112       ?  
152  152   1  0.808  0.218       ?  
153  153   1  0.970  0.108       ?  
154  154   1  0.924  0.289       ?  
155  155   1  0.865  0.199       ?  
156  156   1  0.965  0.094       ?  
157  157   1  0.939  0.064       ?  
158  158   1  0.953  0.079       ?  
159  159   1  0.859  0.113       ?  
160  160   1  0.970  0.045       ?  
161  161   1  0.961  0.084       ?  
162  162   1  0.947  0.200       ?  
163  163   1  0.818  0.100       ?  
164  164   1  0.969  0.061       ?  
165  165   1  0.483  0.197       ?  
166  166   1  0.948  0.046       ?  
167  167   1  0.963  0.157       ?  
168  168   1  0.895  0.145       ?  
169  169   1  0.895  0.342       ?  
170  170   1  0.878  0.084       ?  
171  171   1  0.759  0.181       ?  
172  172   1  0.911  0.062       ?  
173  173   1  0.776  0.293       ?  
174  174   1  0.788  0.150       ?  
175  175   1  0.873  0.154       ?  
176  176   1  0.734  0.234       ?  
177  177   1  0.907  0.266       ?  
178  178   1  0.865  0.159       ?  
#
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  eds          2.23.2                                                                Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
