data_7NA4

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7NA4
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7NA4
_pdbx_vrpt_summary.PDB_deposition_date         2021-06-19
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2021-11-10
_pdbx_vrpt_summary.report_creation_date        2021-10-31:22:17
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Isoform 11 of E3 ubiquitin-protein ligase Mdm2"  
2  non-polymer  3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one  
3  non-polymer  GLYCEROL  
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  3  
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  1.84  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   43.42  141614     ?     ?  
 2  2  1   26.98    4233  1.82  1.86  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    4185  1.82  1.86  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    4186  1.82  1.86  
 7  1  4   63.20  127900     ?     ?  
 8  2  4   61.87    3957  1.82  1.86  
 9  1  5   68.17  130704     ?     ?  
10  2  5   56.98    4003  1.82  1.86  
#
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  100.00  
4  6  3  A  1  1  A  100.00  
5  7  4  A  1  1  A   63.20  
6  8  4  A  1  1  A   61.87  
#
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  0.84  0.75   805  1086  
2  1  2  B  A     ?     ?     ?     ?  
3  1  3  C  A     ?     ?     ?     ?  
4  1  3  D  A     ?     ?     ?     ?  
5  1  4  E  A     ?     ?     ?     ?  
6  1  5  F  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     6.73
_pdbx_vrpt_summary_geometry.num_H_reduce                   835
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 805
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.75
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1086
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.84
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 270.424
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            42.986
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         29.171
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.37(1.84A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8607
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.077
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.353
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.491
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.324
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.957
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.84
_pdbx_vrpt_summary_diffraction.EDS_res_low               48.27
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[26.838,26.838,35.024,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.277
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.37% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.95
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      864
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.04
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.08
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.84
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        48.28
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1  1  1  A   1  GLY  A   16  .  ?        ?     ?     ?     ?     ?     ?  ?     
  2  1  1  A   2  SER  A   17  .  ?        ?     ?     ?     ?     ?     ?  ?     
  3  1  1  A   3  GLN  A   18  .  ?        ?     ?     ?     ?     ?     ?  ?     
  4  1  1  A   4  ILE  A   19  .  ?        ?     ?     1     ?     ?     ?  ?     
  5  1  1  A   5  PRO  A   20  .  ?        ?     ?     ?     ?     ?     ?  ?     
  6  1  1  A   6  ALA  A   21  .  ?        ?     ?     ?     ?     ?     ?  ?     
  7  1  1  A   7  SER  A   22  .  ?        ?     ?     ?     ?     ?     ?  ?     
  8  1  1  A   8  GLU  A   23  .  ?        ?     ?     ?     ?     ?     ?  ?     
  9  1  1  A   9  GLN  A   24  .  ?        ?     ?     1     ?     ?     ?  ?     
 10  1  1  A  10  GLU  A   25  .  ?        ?     ?     ?     ?     ?     ?  ?     
 11  1  1  A  11  THR  A   26  .  ?        ?     ?     ?     ?     ?     ?  ?     
 12  1  1  A  12  LEU  A   27  .  ?        ?     ?     ?     ?     ?     ?  ?     
 13  1  1  A  13  VAL  A   28  .  ?        ?     ?     ?     ?     ?     ?  ?     
 14  1  1  A  14  ARG  A   29  .  ?        ?     1     ?     ?     ?     ?  ?     
 15  1  1  A  15  PRO  A   30  .  ?        ?     ?     ?     ?     ?     ?  ?     
 16  1  1  A  16  LYS  A   31  .  ?        ?     ?     ?     ?     ?     ?  ?     
 17  1  1  A  17  PRO  A   32  .  ?        ?     ?     ?     ?     ?     ?  ?     
 18  1  1  A  18  LEU  A   33  .  ?        ?     ?     ?     ?     ?     ?  ?     
 19  1  1  A  19  LEU  A   34  .  ?        ?     ?     1     ?     ?     ?  ?     
 20  1  1  A  20  LEU  A   35  .  ?        ?     ?     1     ?     ?     ?  ?     
 21  1  1  A  21  LYS  A   36  .  ?        ?     ?     ?     ?     ?     ?  ?     
 22  1  1  A  22  LEU  A   37  .  ?        ?     ?     ?     ?     ?     ?  ?     
 23  1  1  A  23  LEU  A   38  .  ?        ?     ?     ?     ?     ?     ?  ?     
 24  1  1  A  24  LYS  A   39  .  ?        ?     ?     2     ?     ?     ?  ?     
 25  1  1  A  25  SER  A   40  .  ?        ?     ?     ?     ?     ?     ?  ?     
 26  1  1  A  26  VAL  A   41  .  ?        ?     ?     ?     ?     ?     ?  ?     
 27  1  1  A  27  GLY  A   42  .  ?        ?     ?     ?     ?     ?     ?  ?     
 28  1  1  A  28  ALA  A   43  .  ?        ?     ?     ?     ?     ?     ?  ?     
 29  1  1  A  29  GLN  A   44  .  ?        ?     ?     1     ?     ?     ?  ?     
 30  1  1  A  30  LYS  A   45  .  ?        ?     ?     ?     ?     ?     ?  ?     
 31  1  1  A  31  ASP  A   46  .  ?        ?     ?     ?     ?     ?     ?  ?     
 32  1  1  A  32  THR  A   47  .  ?        ?     ?     ?     ?     ?     ?  ?     
 33  1  1  A  33  TYR  A   48  .  ?        ?     ?     ?     ?     ?     ?  ?     
 34  1  1  A  34  THR  A   49  .  ?        ?     ?     ?     ?     ?     ?  ?     
 35  1  1  A  35  MET  A   50  .  ?        ?     ?     ?     ?     ?     ?  ?     
 36  1  1  A  36  LYS  A   51  .  ?        ?     ?     ?     ?     ?     ?  ?     
 37  1  1  A  37  GLU  A   52  .  ?        ?     ?     ?     ?     ?     ?  ?     
 38  1  1  A  38  VAL  A   53  .  ?        ?     ?     ?     ?     ?     ?  ?     
 39  1  1  A  39  LEU  A   54  .  ?        ?     ?     1     ?     ?     ?  ?     
 40  1  1  A  40  PHE  A   55  .  ?        ?     ?     ?     ?     ?     ?  ?     
 41  1  1  A  41  TYR  A   56  .  ?        ?     ?     ?     ?     ?     ?  ?     
 42  1  1  A  42  LEU  A   57  .  ?        ?     ?     ?     ?     ?     ?  ?     
 43  1  1  A  43  GLY  A   58  .  ?        ?     ?     ?     ?     ?     ?  ?     
 44  1  1  A  44  GLN  A   59  .  ?        ?     ?     ?     ?     ?     ?  ?     
 45  1  1  A  45  TYR  A   60  .  ?        ?     ?     ?     ?     ?     ?  ?     
 46  1  1  A  46  ILE  A   61  .  ?        ?     ?     ?     ?     ?     ?  ?     
 47  1  1  A  47  MET  A   62  .  ?        ?     ?     ?     ?     ?     ?  ?     
 48  1  1  A  48  THR  A   63  A  ?        ?     ?     ?     ?     ?     ?  ?     
 49  1  1  A  48  THR  A   63  B  ?        ?     ?     ?     ?     ?     ?  ?     
 50  1  1  A  49  LYS  A   64  .  ?        ?     1     ?     ?     ?     ?  ?     
 51  1  1  A  50  ARG  A   65  .  ?        ?     ?     ?     ?     ?     ?  ?     
 52  1  1  A  51  LEU  A   66  .  ?        ?     ?     ?     ?     ?     ?  ?     
 53  1  1  A  52  TYR  A   67  .  ?        ?     ?     1     ?     ?     ?  ?     
 54  1  1  A  53  ASP  A   68  .  ?        ?     ?     ?     ?     ?     ?  ?     
 55  1  1  A  54  GLU  A   69  .  ?        ?     ?     ?     ?     ?     ?  ?     
 56  1  1  A  55  LYS  A   70  .  ?        1     ?     ?     ?     ?     ?  ?     
 57  1  1  A  56  GLN  A   71  .  ?        ?     ?     1     ?     ?     ?  ?     
 58  1  1  A  57  GLN  A   72  .  ?        ?     ?     ?     ?     ?     ?  ?     
 59  1  1  A  58  HIS  A   73  .  ?        ?     ?     ?     ?     ?     ?  ?     
 60  1  1  A  59  ILE  A   74  .  ?        ?     ?     ?     ?     ?     ?  ?     
 61  1  1  A  60  VAL  A   75  .  ?        ?     ?     ?     ?     ?     ?  ?     
 62  1  1  A  61  TYR  A   76  .  ?        ?     ?     ?     ?     ?     ?  ?     
 63  1  1  A  62  CYS  A   77  .  ?        ?     ?     ?     ?     ?     ?  ?     
 64  1  1  A  63  SER  A   78  .  ?        ?     ?     ?     ?     ?     ?  ?     
 65  1  1  A  64  ASN  A   79  .  ?        ?     ?     ?     ?     ?     ?  ?     
 66  1  1  A  65  ASP  A   80  .  ?        ?     ?     ?     ?     ?     ?  ?     
 67  1  1  A  66  LEU  A   81  .  ?        ?     ?     1     ?     ?     ?  ?     
 68  1  1  A  67  LEU  A   82  .  ?        ?     ?     ?     ?     ?     ?  ?     
 69  1  1  A  68  GLY  A   83  .  ?        ?     ?     ?     ?     ?     ?  ?     
 70  1  1  A  69  ASP  A   84  .  ?        ?     ?     ?     ?     ?     ?  ?     
 71  1  1  A  70  LEU  A   85  .  ?        ?     ?     1     ?     ?     ?  ?     
 72  1  1  A  71  PHE  A   86  .  ?        ?     ?     ?     ?     ?     ?  ?     
 73  1  1  A  72  GLY  A   87  .  ?        ?     ?     ?     ?     ?     ?  ?     
 74  1  1  A  73  VAL  A   88  .  ?        ?     ?     ?     ?     ?     ?  ?     
 75  1  1  A  74  PRO  A   89  .  ?        ?     ?     ?     ?     ?     ?  ?     
 76  1  1  A  75  SER  A   90  .  ?        ?     ?     ?     ?     ?     ?  ?     
 77  1  1  A  76  PHE  A   91  .  ?        ?     ?     ?     ?     ?     ?  ?     
 78  1  1  A  77  SER  A   92  .  ?        ?     ?     ?     ?     ?     ?  ?     
 79  1  1  A  78  VAL  A   93  .  ?        ?     ?     ?     ?     ?     ?  ?     
 80  1  1  A  79  LYS  A   94  .  ?        ?     ?     ?     ?     ?     ?  ?     
 81  1  1  A  80  GLU  A   95  .  ?        ?     ?     1     ?     ?     ?  ?     
 82  1  1  A  81  HIS  A   96  .  ?        ?     ?     ?     ?     ?     ?  ?     
 83  1  1  A  82  ARG  A   97  .  ?        ?     ?     2     ?     ?     ?  ?     
 84  1  1  A  83  LYS  A   98  .  ?        ?     ?     ?     ?     ?     ?  ?     
 85  1  1  A  84  ILE  A   99  .  ?        ?     ?     ?     ?     ?     ?  ?     
 86  1  1  A  85  TYR  A  100  .  ?        ?     ?     1     ?     ?     ?  ?     
 87  1  1  A  86  THR  A  101  .  ?        ?     ?     ?     ?     ?     ?  ?     
 88  1  1  A  87  MET  A  102  .  ?        ?     ?     ?     ?     ?     ?  ?     
 89  1  1  A  88  ILE  A  103  .  ?        ?     ?     ?     ?     ?     ?  ?     
 90  1  1  A  89  TYR  A  104  .  ?        ?     ?     ?     ?     ?     ?  ?     
 91  1  1  A  90  ARG  A  105  .  ?        ?     ?     ?     ?     ?     ?  ?     
 92  1  1  A  91  ASN  A  106  .  ?        ?     ?     ?     ?     ?     ?  ?     
 93  1  1  A  92  LEU  A  107  .  ?        ?     ?     2     ?     ?     ?  ?     
 94  1  1  A  93  VAL  A  108  .  ?        ?     ?     ?     ?     ?     ?  ?     
 95  1  1  A  94  VAL  A  109  .  ?        ?     ?     ?     ?     ?     ?  ?     
 96  1  1  A  95  VAL  A  110  .  ?        ?     ?     ?     ?     ?     ?  ?     
 97  1  1  A  96  ASN  A  111  .  ?        ?     ?     ?     ?     ?     ?  ?     
 98  1  2  B   .  1I9  A  201  .  ?        ?     ?     ?     2     6     5  Y     
 99  1  3  C   .  GOL  A  202  .  ?        ?     ?     2     ?     ?     2  ?     
100  1  3  D   .  GOL  A  203  .  ?        ?     ?     ?     ?     ?     2  ?     
101  1  4  E   .  CL   A  204  .  ?        ?     ?     ?     ?     ?     ?  ?     
102  1  5  F   .  HOH  A  301  .  ?        ?     ?     ?     ?     ?     ?  ?     
103  1  5  F   .  HOH  A  302  .  ?        ?     ?     ?     ?     ?     ?  ?     
104  1  5  F   .  HOH  A  303  .  ?        ?     ?     ?     ?     ?     ?  ?     
105  1  5  F   .  HOH  A  304  .  ?        ?     ?     ?     ?     ?     ?  ?     
106  1  5  F   .  HOH  A  305  .  ?        ?     ?     ?     ?     ?     ?  ?     
107  1  5  F   .  HOH  A  306  .  ?        ?     ?     1     ?     ?     ?  ?     
108  1  5  F   .  HOH  A  307  .  ?        ?     ?     ?     ?     ?     ?  ?     
109  1  5  F   .  HOH  A  308  .  ?        ?     ?     ?     ?     ?     ?  ?     
110  1  5  F   .  HOH  A  309  .  ?        ?     ?     ?     ?     ?     ?  ?     
111  1  5  F   .  HOH  A  310  .  ?        ?     ?     ?     ?     ?     ?  ?     
112  1  5  F   .  HOH  A  311  .  ?        ?     ?     ?     ?     ?     ?  ?     
113  1  5  F   .  HOH  A  312  .  ?        ?     ?     ?     ?     ?     ?  ?     
114  1  5  F   .  HOH  A  313  .  ?        ?     ?     ?     ?     ?     ?  ?     
115  1  5  F   .  HOH  A  314  .  ?        ?     ?     ?     ?     ?     ?  ?     
116  1  5  F   .  HOH  A  315  .  ?        ?     ?     ?     ?     ?     ?  ?     
117  1  5  F   .  HOH  A  316  .  ?        ?     ?     ?     ?     ?     ?  ?     
118  1  5  F   .  HOH  A  317  .  ?        ?     ?     ?     ?     ?     ?  ?     
119  1  5  F   .  HOH  A  318  .  ?        ?     ?     ?     ?     ?     ?  ?     
120  1  5  F   .  HOH  A  319  .  ?        ?     ?     ?     ?     ?     ?  ?     
121  1  5  F   .  HOH  A  320  .  ?        ?     ?     ?     ?     ?     ?  ?     
122  1  5  F   .  HOH  A  321  .  ?        ?     ?     ?     ?     ?     ?  ?     
123  1  5  F   .  HOH  A  322  .  ?        ?     ?     ?     ?     ?     ?  ?     
124  1  5  F   .  HOH  A  323  .  ?        ?     ?     ?     ?     ?     ?  ?     
125  1  5  F   .  HOH  A  324  .  ?        ?     ?     ?     ?     ?     ?  ?     
126  1  5  F   .  HOH  A  325  .  ?        ?     ?     ?     ?     ?     ?  ?     
127  1  5  F   .  HOH  A  326  .  ?        ?     ?     ?     ?     ?     ?  ?     
128  1  5  F   .  HOH  A  327  .  ?        ?     ?     ?     ?     ?     ?  ?     
129  1  5  F   .  HOH  A  328  .  ?        ?     ?     ?     ?     ?     ?  ?     
130  1  5  F   .  HOH  A  329  .  ?        ?     ?     1     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.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  ?             ?       ?  ?           ?     2   75.980     4  1.78     5  0.66  molprobity  1.000  
  2    2  t         -69.3   -36.0  Favored     ?     5   72.780     6  0.61     8  0.50  molprobity  1.000  
  3    3  mt-30     -90.1     8.7  Favored     ?     8   47.950     9  0.74    12  0.78  molprobity  0.556  
  4    4  mt        -94.9   124.7  Favored     ?    11   39.000     8  0.36    12  0.63  molprobity  1.000  
  5    5  Cg_endo   -80.4   149.6  Favored     ?     7   30.880     8  0.69    11  0.60  molprobity  1.000  
  6    6  ?         -67.1   -26.3  Favored     ?     5   38.870     5  0.53     7  0.37  molprobity  1.000  
  7    7  p         -60.3   -26.9  Favored     ?     5   31.130     6  0.65     8  0.62  molprobity  1.000  
  8    8  tp10      -48.9   -36.9  Favored     ?     6   30.270     9  0.92    12  1.05  molprobity  1.000  
  9    9  mm100     -63.6   -24.2  Favored     1     8   36.630     9  0.79    12  0.41  molprobity  1.000  
 10   10  mt-10     -89.1    -5.5  Favored     ?     6   38.010     9  0.68    12  0.98  molprobity  1.000  
 11   11  m         -58.2   133.7  Favored     ?     7   26.130     7  0.54    10  0.62  molprobity  1.000  
 12   12  mt       -100.7   129.6  Favored     ?    11   31.800     8  0.81    11  0.44  molprobity  1.000  
 13   13  m        -136.1   148.9  Favored     ?     9   25.270     7  0.78    10  0.97  molprobity  1.000  
 14   14  ttm105   -112.3   104.2  Favored     ?    13   48.610    11  0.85    15  1.70  molprobity  1.000  
 15   15  Cg_exo    -56.1   141.4  Favored     ?     7   28.580     8  0.41    11  0.41  molprobity  1.000  
 16   16  mttt      -74.2   165.5  Favored     ?    13   29.500     9  0.44    12  0.91  molprobity  1.000  
 17   17  Cg_exo    -51.0   -43.1  Favored     ?     7   34.770     8  0.33    11  0.81  molprobity  1.000  
 18   18  tp        -69.7   -37.2  Favored     ?    11   40.550     8  0.41    11  0.73  molprobity  1.000  
 19   19  tp        -69.3   -37.3  Favored     ?    11   26.920     8  0.56    11  0.75  molprobity  1.000  
 20   20  tp        -64.7   -44.9  Favored     ?    11   28.160     8  0.47    11  0.61  molprobity  1.000  
 21   21  tttp      -47.3   -53.1  Favored     ?    13   34.850     9  0.67    11  0.61  molprobity  1.000  
 22   22  mt        -59.2   -48.2  Favored     ?    11   33.650     8  0.61    11  1.02  molprobity  1.000  
 23   23  mt        -57.9   -40.5  Favored     ?    11   24.630     8  0.50    11  0.71  molprobity  1.000  
 24   24  mttm      -70.7   -18.0  Favored     ?    13   44.330     9  0.40    11  0.82  molprobity  1.000  
 25   25  p         -80.0   -12.5  Favored     ?     5   30.640     6  0.89     8  0.68  molprobity  1.000  
 26   26  m        -124.6   -16.8  Favored     ?     9   27.830     7  0.57    10  1.24  molprobity  1.000  
 27   27  ?        -142.0  -178.4  Favored     ?     3   28.400     4  0.72     5  1.00  molprobity  1.000  
 28   28  ?         -60.3   138.8  Favored     ?     5   45.210     5  0.50     7  0.64  molprobity  1.000  
 29   29  pt20      -81.2   127.0  Favored     ?     8   50.430     9  0.35    12  1.13  molprobity  0.556  
 30   30  mtmt     -145.2   164.6  Favored     ?    13   46.270     9  0.44    11  1.50  molprobity  1.000  
 31   31  m-20      -92.1   -38.9  Favored     ?     4   64.870     8  0.47    11  0.89  molprobity  1.000  
 32   32  m        -115.2   123.4  Favored     ?     7   37.450     7  0.84    10  0.79  molprobity  1.000  
 33   33  m-85     -111.9   156.5  Favored     ?     9   27.700    13  0.58    18  0.65  molprobity  1.000  
 34   34  p         -87.7   160.4  Favored     ?     7   27.930     7  0.63    10  0.94  molprobity  1.000  
 35   35  mmm       -64.6   -29.8  Favored     ?     9   25.830     8  1.04    10  0.68  molprobity  1.000  
 36   36  tttt      -57.1   -46.9  Favored     ?    13   34.110     9  0.49    11  0.61  molprobity  1.000  
 37   37  mt-10     -60.4   -49.2  Favored     ?     6   26.880     9  1.20    12  1.01  molprobity  1.000  
 38   38  t         -60.2   -42.6  Favored     ?     9   21.290     7  0.48    10  0.53  molprobity  1.000  
 39   39  mt        -67.5   -43.1  Favored     ?    11   23.500     8  0.56    11  0.90  molprobity  1.000  
 40   40  t80       -60.8   -52.4  Favored     ?     9   24.430    12  0.67    16  0.78  molprobity  1.000  
 41   41  m-85      -61.9   -46.0  Favored     ?     9   26.230    13  0.90    18  0.47  molprobity  1.000  
 42   42  mt        -57.2   -41.5  Favored     ?    11   23.270     8  0.62    11  0.71  molprobity  1.000  
 43   43  ?         -62.8   -45.1  Favored     ?     3   24.430     4  0.83     5  0.64  molprobity  1.000  
 44   44  mm-40     -65.6   -37.8  Favored     ?     8   28.590     9  0.63    12  0.60  molprobity  1.000  
 45   45  t80       -61.7   -47.3  Favored     ?     9   27.360    13  0.64    18  0.56  molprobity  1.000  
 46   46  mt        -54.3   -48.2  Favored     ?    11   22.440     8  1.18    11  0.93  molprobity  1.000  
 47   47  mmm       -68.0   -43.6  Favored     ?     9   30.540     8  0.36    10  0.54  molprobity  1.000  
 48   48  m         -65.7   -29.5  Favored     ?     7   35.300     7  0.28    10  0.54  molprobity  1.000  
 49   49  m         -65.7   -29.5  Favored     ?     7   35.300     7  0.28    10  0.54  molprobity  1.000  
 50   50  mtpt      -97.3     9.9  Favored     ?    12   35.720     9  0.90    11  2.04  molprobity  1.000  
 51   51  ttt180     59.1    36.8  Favored     ?    13   67.770    11  0.68    14  1.34  molprobity  1.000  
 52   52  mt        -82.6    -5.8  Favored     ?    11   28.480     8  0.64    11  1.14  molprobity  1.000  
 53   53  t80      -145.2   147.5  Favored     ?     9   34.630    13  0.35    18  0.55  molprobity  1.000  
 54   54  t70      -153.6   165.4  Favored     ?     4   58.400     8  0.40    11  0.90  molprobity  1.000  
 55   55  mt-10     -59.5   133.4  Favored     ?     6  100.350     9  0.46    12  0.92  molprobity  0.667  
 56   56  mmmt       73.1     6.1  Favored     ?    13   97.360     9  1.78    11  0.99  molprobity  0.889  
 57   57  mt-30     -75.6    22.6  Allowed     1     8   54.920     9  0.75    12  0.86  molprobity  1.000  
 58   58  mt-30      50.9    39.9  Favored     ?     8   64.160     9  0.57    12  0.44  molprobity  1.000  
 59   59  m-70       59.5    27.8  Favored     ?     7   60.770    11  1.06    15  0.35  molprobity  1.000  
 60   60  mt       -102.0   132.8  Favored     ?    11   32.320     8  0.34    11  0.69  molprobity  1.000  
 61   61  t         -90.3   130.0  Favored     ?     9   27.430     7  0.53    10  0.93  molprobity  1.000  
 62   62  m-85     -111.4   110.7  Favored     ?     9   32.100    13  0.97    18  0.61  molprobity  1.000  
 63   63  p        -123.8    10.0  Favored     ?     5   30.080     6  0.63     8  0.83  molprobity  1.000  
 64   64  p         -65.1   -26.8  Favored     ?     5   33.450     6  0.83     8  0.60  molprobity  1.000  
 65   65  p-10      -90.3    20.1  Favored     ?     6   35.410     8  0.90    11  0.50  molprobity  1.000  
 66   66  t70      -141.7   151.0  Favored     ?     4   30.790     8  0.74    11  0.33  molprobity  1.000  
 67   67  mt        -47.5   -30.4  Favored     ?    11   41.890     8  0.46    11  0.78  molprobity  1.000  
 68   68  tp        -59.2   -37.9  Favored     ?    11   25.440     8  0.92    11  0.71  molprobity  1.000  
 69   69  ?         -59.7   -38.3  Favored     ?     3   29.730     4  0.34     5  0.52  molprobity  1.000  
 70   70  m-20      -66.3   -45.6  Favored     ?     4   37.610     8  0.51    11  0.56  molprobity  1.000  
 71   71  mt        -56.9   -51.1  Favored     ?    11   40.600     8  0.81    11  1.68  molprobity  1.000  
 72   72  m-30      -83.8   -20.8  Favored     ?     9   27.420    12  0.86    16  0.89  molprobity  1.000  
 73   73  ?          67.2    27.3  Favored     ?     3   36.540     4  0.81     5  0.78  molprobity  1.000  
 74   74  m        -138.1   158.1  Favored     ?     9   34.880     7  0.41    11  0.90  molprobity  1.000  
 75   75  Cg_endo   -84.6   -19.6  Favored     ?     7   33.360     8  0.76    11  0.83  molprobity  1.000  
 76   76  p        -165.9   162.0  Favored     ?     5   29.170     6  0.58     8  0.52  molprobity  1.000  
 77   77  p90      -163.8   154.5  Favored     ?     9   26.590    12  1.04    16  0.69  molprobity  1.000  
 78   78  t         -85.7   137.5  Favored     ?     5   30.050     6  0.71     8  0.59  molprobity  1.000  
 79   79  m         -67.9   -11.1  Favored     ?     9   28.970     7  0.37    10  0.78  molprobity  1.000  
 80   80  mtpt      -84.7   -12.4  Favored     ?    13   39.510     9  1.03    11  1.18  molprobity  0.778  
 81   81  mt-10     -89.6    73.0  Favored     ?     6   48.210     9  0.97    12  0.73  molprobity  1.000  
 82   82  m170      -60.9   -49.7  Favored     ?     7   40.900    11  1.00    15  0.75  molprobity  1.000  
 83   83  mtm180    -62.1   -37.7  Favored     ?    13   61.530    11  0.73    14  1.15  molprobity  1.000  
 84   84  tttt      -62.8   -40.7  Favored     ?    13   37.480     9  0.37    11  0.73  molprobity  0.778  
 85   85  mt        -59.7   -47.7  Favored     ?    11   24.950     8  1.19    11  0.79  molprobity  1.000  
 86   86  m-85      -61.5   -39.2  Favored     ?     9   25.650    13  0.78    18  0.88  molprobity  1.000  
 87   87  m         -61.8   -43.5  Favored     ?     7   26.360     7  0.51    10  0.58  molprobity  1.000  
 88   88  mtm       -66.7   -37.3  Favored     ?     9   27.680     8  0.66    10  0.56  molprobity  1.000  
 89   89  mt        -64.7   -48.5  Favored     ?    11   25.410     8  0.58    11  0.60  molprobity  1.000  
 90   90  m-85      -58.9   -24.7  Favored     ?     9   34.880    13  0.65    18  0.58  molprobity  1.000  
 91   91  mtt180    -67.6   -16.6  Favored     ?    13   47.190    11  1.49    14  0.86  molprobity  0.727  
 92   92  m-80     -116.8    21.5  Favored     ?     6   29.510     8  0.36    11  0.73  molprobity  1.000  
 93   93  pp       -154.2   170.7  Favored     ?    11   28.390     8  0.75    11  0.72  molprobity  1.000  
 94   94  t        -124.4   144.6  Favored     ?     9   40.490     7  0.54    10  1.07  molprobity  1.000  
 95   95  t         -83.3   136.4  Favored     ?     9   27.940     7  0.52    10  0.79  molprobity  1.000  
 96   96  t         -98.6   122.7  Favored     ?     9   39.630     7  0.59    10  0.90  molprobity  1.000  
 97   97  m-80          ?       ?  ?           ?     6   59.950     7  0.98     8  0.74  molprobity  1.000  
 98   98  ?             ?       ?  ?           ?     ?   32.070    34  1.12    40  1.44  mogul       1.000  
 99   99  ?             ?       ?  ?           ?     8   53.160     5  0.58     5  1.25  mogul       1.000  
100  100  ?             ?       ?  ?           ?     8   44.180     5  0.16     5  0.64  mogul       0.500  
101  101  ?             ?       ?  ?           ?     ?   36.810     ?     ?     ?     ?  ?           0.500  
102  102  ?             ?       ?  ?           ?     ?   52.140     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?           ?     ?   41.220     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?     ?   38.580     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?     ?   41.790     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?     ?   28.340     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?     ?   35.200     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?     ?   59.360     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?     ?   35.680     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?     ?   49.990     ?     ?     ?     ?  ?           0.500  
111  111  ?             ?       ?  ?           ?     ?   34.640     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?     ?   49.260     ?     ?     ?     ?  ?           0.500  
113  113  ?             ?       ?  ?           ?     ?   41.050     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?     ?   64.430     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?     ?   40.500     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?     ?   34.880     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?     ?   31.550     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?     ?   37.790     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?     ?   33.440     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?     ?   38.360     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?     ?   41.560     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?     ?   41.790     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?     ?   33.440     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?     ?   44.740     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?     ?   54.920     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?     ?   47.860     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?     ?   55.980     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?     ?   50.450     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?     ?   33.920     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?     ?   38.050     ?     ?     ?     ?  ?           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  HD13   1  0.45  2.51  
 2    9  HE22   2  0.73  1.53  
 3   19  HA     3  0.46  1.97  
 4   20  HD11   4  0.48  1.77  
 5   24  HZ3    4  0.48  1.77  
 6   24  HZ1    5  0.45  1.82  
 7   29  HB2    5  0.45  1.82  
 8   39  HD12   2  0.73  1.53  
 9   53  HA     6  0.57  1.70  
10   57  HE22   6  0.57  1.70  
11   67  HD12   7  0.47  2.14  
12   71  HD11   3  0.46  1.97  
13   81  C      8  0.41  2.41  
14   83  HB2    9  0.58  1.86  
15   83  HD3   10  0.43  2.17  
16   86  CE2    1  0.45  2.51  
17   93  C     11  0.41  2.41  
18   93  HD12  11  0.41  2.41  
19   99  H12    9  0.58  1.86  
20   99  H11    8  0.41  2.41  
21  107  O      7  0.47  2.14  
22  130  O     10  0.43  2.17  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  56
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       CE
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       NZ
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.357
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.486
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.025
_pdbx_vrpt_instance_intra_bond_outliers.Z            -5.16
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  14  NE  CZ  NH1  122.805  120.300  0.500   5.01  
2  50  CD  CE  NZ    99.767  111.700  2.300  -5.19  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  98  C19  N18  1.31  1.34  196  0.02  -2.25  0.00  
2  98  O31  C30  1.22  1.19   22  0.01   2.43  0.01  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  98  C15  C16  C17  117.87  120.83    22  1.26  -2.35  0.39  
2  98  C35  C34  C40  119.41  117.11   252  0.99   2.32  0.16  
3  98  C19  N11  C8   127.90  125.50    27  0.80   2.99  0.21  
4  98  C13  N14  C15  123.62  118.07    51  1.68   3.30  2.16  
5  98  C15  C28  N29  126.48  122.27    22  1.99   2.12  1.08  
6  98  C40  N39  C38  121.59  117.48  1406  1.36   3.01  0.04  
#
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   98  C10  C8   N11  C12  -122.73  51.91   83  16.97   2.48  3.61  
2   98  C10  C8   N11  C19    59.81  51.79   92  25.16   4.28  2.17  
3   98  N14  C13  C34  C40  -111.06  75.62  480  24.15  18.20  0.00  
4   98  C19  C20  O22  C23   173.43  92.20  122  19.01  13.59  0.00  
5   98  C25  C20  O22  C23   -67.86  89.45   52  13.10  51.89  0.00  
6   99  C1   C2   C3   O3     90.96  59.12  133  25.94   6.01  0.75  
7   99  O2   C2   C3   O3   -152.44  76.42  230  30.03   0.51  2.61  
8  100  C1   C2   C3   O3   -130.69  55.77  133  15.55  29.35  0.00  
9  100  O2   C2   C3   O3     -9.55  73.14  230  43.32   1.03  0.87  
#
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   4  0.648  0.227   2.230  
  2    2   6  0.848  0.160   0.912  
  3    3   5  0.913  0.135   0.101  
  4    4   8  0.961  0.095  -0.388  
  5    5   7  0.946  0.070  -0.661  
  6    6   5  0.960  0.067  -0.713  
  7    7   6  0.966  0.069  -0.719  
  8    8   9  0.968  0.081  -0.852  
  9    9   9  0.944  0.107  -0.334  
 10   10   9  0.955  0.090  -0.725  
 11   11   7  0.977  0.077  -0.558  
 12   12   8  0.952  0.089  -0.519  
 13   13   7  0.964  0.089  -0.427  
 14   14  11  0.957  0.120  -0.180  
 15   15   7  0.967  0.068  -0.699  
 16   16   9  0.955  0.072  -1.079  
 17   17   7  0.972  0.097  -0.155  
 18   18   8  0.964  0.116   0.085  
 19   19   8  0.956  0.076  -0.810  
 20   20   8  0.968  0.083  -0.653  
 21   21   9  0.956  0.086  -0.875  
 22   22   8  0.936  0.119   0.152  
 23   23   8  0.972  0.077  -0.787  
 24   24   9  0.962  0.130  -0.234  
 25   25   6  0.965  0.063  -0.826  
 26   26   7  0.962  0.076  -0.716  
 27   27   4  0.978  0.070  -0.573  
 28   28   5  0.963  0.108   0.122  
 29   29   5  0.952  0.091  -0.582  
 30   30   9  0.890  0.149   0.042  
 31   31   8  0.802  0.167   0.767  
 32   32   7  0.919  0.111   0.108  
 33   33  12  0.946  0.092  -0.250  
 34   34   7  0.975  0.057  -0.949  
 35   35   8  0.903  0.111   0.046  
 36   36   9  0.966  0.092  -0.787  
 37   37   9  0.941  0.094  -0.668  
 38   38   7  0.982  0.047  -1.360  
 39   39   8  0.959  0.090  -0.497  
 40   40  11  0.947  0.098  -0.165  
 41   41  12  0.963  0.067  -0.823  
 42   42   8  0.965  0.092  -0.452  
 43   43   4  0.959  0.090  -0.216  
 44   44   9  0.931  0.092  -0.567  
 45   45  12  0.963  0.071  -0.732  
 46   46   8  0.967  0.072  -0.913  
 47   47   8  0.975  0.073  -0.707  
 48   48  14  0.959  0.101  -0.088  
 49   49  14  0.959  0.101  -0.088  
 50   50   9  0.903  0.112  -0.496  
 51   51  11  0.898  0.126  -0.087  
 52   52   8  0.950  0.096  -0.362  
 53   53  12  0.952  0.080  -0.525  
 54   54   8  0.848  0.142   0.368  
 55   55   6  0.624  0.354   3.004  
 56   56   8  0.832  0.261   1.672  
 57   57   9  0.861  0.160   0.489  
 58   58   9  0.863  0.237   1.685  
 59   59  10  0.925  0.151   0.725  
 60   60   8  0.954  0.101  -0.251  
 61   61   7  0.971  0.073  -0.782  
 62   62  12  0.966  0.081  -0.502  
 63   63   6  0.976  0.065  -0.686  
 64   64   6  0.934  0.088  -0.378  
 65   65   8  0.916  0.132   0.286  
 66   66   8  0.958  0.071  -0.764  
 67   67   8  0.977  0.090  -0.497  
 68   68   8  0.933  0.101  -0.251  
 69   69   4  0.972  0.055  -0.841  
 70   70   8  0.947  0.100  -0.301  
 71   71   8  0.946  0.111  -0.027  
 72   72  11  0.959  0.081  -0.559  
 73   73   4  0.920  0.111   0.159  
 74   74   7  0.966  0.070  -0.849  
 75   75   7  0.968  0.075  -0.567  
 76   76   6  0.972  0.067  -0.754  
 77   77  11  0.964  0.074  -0.722  
 78   78   6  0.955  0.069  -0.719  
 79   79   7  0.973  0.079  -0.649  
 80   80   7  0.950  0.080  -0.962  
 81   81   9  0.949  0.130  -0.160  
 82   82  10  0.963  0.073  -0.644  
 83   83  11  0.941  0.124  -0.118  
 84   84   7  0.943  0.110  -0.525  
 85   85   8  0.969  0.063  -1.119  
 86   86  12  0.975  0.074  -0.663  
 87   87   7  0.980  0.065  -0.793  
 88   88   8  0.964  0.079  -0.588  
 89   89   8  0.972  0.069  -0.982  
 90   90  12  0.952  0.105   0.048  
 91   91   8  0.940  0.123  -0.133  
 92   92   8  0.947  0.080  -0.575  
 93   93   8  0.970  0.095  -0.385  
 94   94   7  0.950  0.133   0.551  
 95   95   7  0.915  0.107  -0.027  
 96   96   7  0.920  0.129   0.462  
 97   97   8  0.722  0.184   1.147  
 98   98  38  0.964  0.069       ?  
 99   99   6  0.683  0.222       ?  
100  100   6  0.935  0.173       ?  
101  101   1  0.996  0.053       ?  
102  102   1  0.635  0.179       ?  
103  103   1  0.928  0.432       ?  
104  104   1  0.923  0.168       ?  
105  105   1  0.920  0.167       ?  
106  106   1  0.977  0.085       ?  
107  107   1  0.966  0.086       ?  
108  108   1  0.697  0.335       ?  
109  109   1  0.977  0.159       ?  
110  110   1  0.605  0.327       ?  
111  111   1  0.942  0.181       ?  
112  112   1  0.700  0.116       ?  
113  113   1  0.960  0.161       ?  
114  114   1  0.839  0.263       ?  
115  115   1  0.890  0.118       ?  
116  116   1  0.922  0.259       ?  
117  117   1  0.984  0.086       ?  
118  118   1  0.957  0.323       ?  
119  119   1  0.971  0.324       ?  
120  120   1  0.965  0.227       ?  
121  121   1  0.923  0.130       ?  
122  122   1  0.812  0.107       ?  
123  123   1  0.972  0.102       ?  
124  124   1  0.739  0.291       ?  
125  125   1  0.595  0.223       ?  
126  126   1  0.857  0.166       ?  
127  127   1  0.918  0.174       ?  
128  128   1  0.655  0.245       ?  
129  129   1  0.859  0.224       ?  
130  130   1  0.881  0.150       ?  
#
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          2.23.2                                                                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  
##
