data_8SY1

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8SY1
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8SY1
_pdbx_vrpt_summary.PDB_deposition_date         2023-05-24
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-10-25
_pdbx_vrpt_summary.RNA_suiteness               0.62
_pdbx_vrpt_summary.report_creation_date        2023-10-16:03:44
_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      "RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GMA))-3')"  
2  non-polymer  "[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  1  
E  2  
F  2  
G  2  
H  2  
I  3  
J  3  
K  3  
L  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.76  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
3  R_value_R_free         
4  RNAsuiteness_percent   
#
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   55.43  141614     ?     ?  
2  2  1   38.20    2466  1.76  1.76  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    2298  1.76  1.76  
5  1  3   27.11  130704     ?     ?  
6  2  3    6.41    2340  1.76  1.76  
7  1  4   67.86    3102     ?     ?  
8  2  4   48.38    1079  1.12  2.40  
#
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  3  2  B  1  1  B  100.00  
4  4  2  B  1  1  B  100.00  
5  3  2  C  1  1  C  100.00  
6  4  2  C  1  1  C  100.00  
7  3  2  D  1  1  D  100.00  
8  4  2  D  1  1  D  100.00  
#
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  1.09  0.82  236  365  
2  1  1  B  B  1.09  0.80  236  365  
3  1  1  C  C  1.23  0.82  236  365  
4  1  1  D  D  1.03  0.78  236  365  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       5.07
_pdbx_vrpt_summary_geometry.num_H_reduce     628
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   944
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.80
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1460
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.11
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 79.141
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            40.848
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         22.793
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.63(1.76A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        15740
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.354
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.303
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.565
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.415
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.950
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.010;h,-h-k,-l:0.300;-k,-h,-l:0.011
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.76
_pdbx_vrpt_summary_diffraction.EDS_res_low               34.27
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[23.663,23.663,20.988,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.117
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 18.13% 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         69
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         91.82
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      795
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.05
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.76
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        34.29
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_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  TLN  A    1  .  ?        ?     ?     ?    11    11     ?  Y     
  2  1  1  A   2  LCC  A    2  .  ?        ?     ?     2     8     9     ?  Y     
  3  1  1  A   3  LCC  A    3  .  ?        ?     ?     ?     7     7     ?  Y     
  4  1  1  A   4  LCG  A    4  .  ?        ?     ?     ?     7     5     ?  Y     
  5  1  1  A   5  A    A    5  .  ?        ?     ?     ?     ?     ?     ?  ?     
  6  1  1  A   6  C    A    6  .  ?        ?     ?     2     ?     ?     ?  ?     
  7  1  1  A   7  U    A    7  .  ?        ?     ?     ?     ?     ?     ?  ?     
  8  1  1  A   8  U    A    8  .  ?        ?     ?     ?     ?     ?     ?  ?     
  9  1  1  A   9  A    A    9  .  ?        ?     ?     ?     ?     ?     ?  ?     
 10  1  1  A  10  A    A   10  .  ?        ?     ?     ?     ?     ?     ?  ?     
 11  1  1  A  11  G    A   11  .  ?        ?     ?     ?     ?     ?     ?  ?     
 12  1  1  A  12  U    A   12  .  ?        ?     ?     ?     ?     ?     ?  ?     
 13  1  1  A  13  C    A   13  .  ?        ?     ?     ?     ?     ?     ?  ?     
 14  1  1  A  14  G    A   14  .  ?        ?     ?     ?     ?     ?     ?  ?     
 15  1  1  B   1  TLN  B    1  .  ?        ?     ?     1     8    13     ?  Y     
 16  1  1  B   2  LCC  B    2  .  ?        ?     ?     ?     6     7     ?  Y     
 17  1  1  B   3  LCC  B    3  .  ?        ?     ?     ?     7     7     ?  Y     
 18  1  1  B   4  LCG  B    4  .  ?        ?     ?     ?     7     6     ?  Y     
 19  1  1  B   5  A    B    5  .  ?        ?     ?     ?     ?     ?     ?  ?     
 20  1  1  B   6  C    B    6  .  ?        ?     ?     ?     ?     ?     ?  ?     
 21  1  1  B   7  U    B    7  .  ?        ?     ?     ?     ?     ?     ?  ?     
 22  1  1  B   8  U    B    8  .  ?        ?     ?     ?     ?     ?     ?  ?     
 23  1  1  B   9  A    B    9  .  ?        ?     ?     ?     ?     ?     ?  ?     
 24  1  1  B  10  A    B   10  .  ?        ?     ?     ?     ?     ?     ?  ?     
 25  1  1  B  11  G    B   11  .  ?        ?     ?     ?     ?     ?     ?  ?     
 26  1  1  B  12  U    B   12  .  ?        ?     ?     ?     ?     ?     ?  ?     
 27  1  1  B  13  C    B   13  .  ?        ?     ?     ?     ?     ?     ?  ?     
 28  1  1  B  14  G    B   14  .  ?        ?     ?     ?     ?     ?     ?  ?     
 29  1  1  C   1  TLN  C    1  .  ?        ?     ?     5     7    13     ?  Y     
 30  1  1  C   2  LCC  C    2  .  ?        ?     ?     1     6     8     ?  Y     
 31  1  1  C   3  LCC  C    3  .  ?        ?     ?     ?     4     4     ?  Y     
 32  1  1  C   4  LCG  C    4  .  ?        ?     ?     ?     6     8     ?  Y     
 33  1  1  C   5  A    C    5  .  ?        ?     ?     ?     ?     ?     ?  ?     
 34  1  1  C   6  C    C    6  .  ?        ?     ?     ?     ?     ?     ?  ?     
 35  1  1  C   7  U    C    7  .  ?        ?     ?     ?     ?     ?     ?  ?     
 36  1  1  C   8  U    C    8  .  ?        ?     ?     ?     ?     ?     ?  ?     
 37  1  1  C   9  A    C    9  .  ?        ?     ?     ?     ?     ?     ?  ?     
 38  1  1  C  10  A    C   10  .  ?        ?     ?     2     ?     ?     ?  ?     
 39  1  1  C  11  G    C   11  .  ?        ?     1     ?     ?     ?     ?  ?     
 40  1  1  C  12  U    C   12  .  ?        ?     ?     ?     ?     ?     ?  ?     
 41  1  1  C  13  C    C   13  .  ?        ?     ?     ?     ?     ?     ?  ?     
 42  1  1  C  14  G    C   14  .  ?        ?     1     ?     ?     ?     ?  ?     
 43  1  1  D   1  TLN  D    1  .  ?        ?     ?     ?     6    12     2  Y     
 44  1  1  D   2  LCC  D    2  .  ?        ?     ?     ?     8    10     ?  Y     
 45  1  1  D   3  LCC  D    3  .  ?        ?     ?     ?    12     9     1  Y     
 46  1  1  D   4  LCG  D    4  .  ?        ?     ?     ?     8     9     ?  Y     
 47  1  1  D   5  A    D    5  .  ?        ?     ?     1     ?     ?     ?  ?     
 48  1  1  D   6  C    D    6  .  ?        ?     ?     1     ?     ?     ?  ?     
 49  1  1  D   7  U    D    7  .  ?        ?     ?     ?     ?     ?     ?  ?     
 50  1  1  D   8  U    D    8  .  ?        ?     ?     2     ?     ?     ?  ?     
 51  1  1  D   9  A    D    9  .  ?        ?     ?     ?     ?     ?     ?  ?     
 52  1  1  D  10  A    D   10  .  ?        ?     ?     ?     ?     ?     ?  ?     
 53  1  1  D  11  G    D   11  .  ?        ?     ?     ?     ?     ?     ?  ?     
 54  1  1  D  12  U    D   12  .  ?        ?     ?     ?     ?     ?     ?  ?     
 55  1  1  D  13  C    D   13  .  ?        1     ?     ?     ?     ?     ?  ?     
 56  1  1  D  14  G    D   14  .  ?        ?     ?     ?     ?     ?     ?  ?     
 57  1  2  E   .  WZW  B  101  .  ?        ?     ?     1    17    14     7  Y     
 58  1  2  F   .  WZW  B  102  .  ?        ?     ?     ?     5     9     3  Y     
 59  1  2  G   .  WZW  C  101  .  ?        ?     ?     ?    15    18     4  Y     
 60  1  2  H   .  WZW  D  101  .  ?        ?     ?     2     4     3     3  Y     
 61  1  3  I   .  HOH  A  101  .  ?        ?     ?     ?     ?     ?     ?  ?     
 62  1  3  I   .  HOH  A  102  .  ?        ?     ?     ?     ?     ?     ?  ?     
 63  1  3  I   .  HOH  A  103  .  ?        ?     ?     ?     ?     ?     ?  ?     
 64  1  3  I   .  HOH  A  104  .  ?        ?     ?     ?     ?     ?     ?  ?     
 65  1  3  I   .  HOH  A  105  .  ?        ?     ?     ?     ?     ?     ?  ?     
 66  1  3  I   .  HOH  A  106  .  ?        ?     ?     ?     ?     ?     ?  ?     
 67  1  3  I   .  HOH  A  107  .  ?        ?     ?     ?     ?     ?     ?  ?     
 68  1  3  I   .  HOH  A  108  .  ?        ?     ?     ?     ?     ?     ?  ?     
 69  1  3  I   .  HOH  A  109  .  ?        ?     ?     ?     ?     ?     ?  ?     
 70  1  3  I   .  HOH  A  110  .  ?        ?     ?     ?     ?     ?     ?  ?     
 71  1  3  I   .  HOH  A  111  .  ?        ?     ?     ?     ?     ?     ?  ?     
 72  1  3  I   .  HOH  A  112  .  ?        ?     ?     ?     ?     ?     ?  ?     
 73  1  3  J   .  HOH  B  201  .  ?        ?     ?     ?     ?     ?     ?  ?     
 74  1  3  J   .  HOH  B  202  .  ?        ?     ?     ?     ?     ?     ?  ?     
 75  1  3  J   .  HOH  B  203  .  ?        ?     ?     ?     ?     ?     ?  ?     
 76  1  3  J   .  HOH  B  204  .  ?        ?     ?     ?     ?     ?     ?  ?     
 77  1  3  J   .  HOH  B  205  .  ?        ?     ?     ?     ?     ?     ?  ?     
 78  1  3  J   .  HOH  B  206  .  ?        ?     ?     ?     ?     ?     ?  ?     
 79  1  3  J   .  HOH  B  207  .  ?        ?     ?     ?     ?     ?     ?  ?     
 80  1  3  J   .  HOH  B  208  .  ?        ?     ?     ?     ?     ?     ?  ?     
 81  1  3  J   .  HOH  B  209  .  ?        ?     ?     ?     ?     ?     ?  ?     
 82  1  3  J   .  HOH  B  210  .  ?        ?     ?     ?     ?     ?     ?  ?     
 83  1  3  J   .  HOH  B  211  .  ?        ?     ?     ?     ?     ?     ?  ?     
 84  1  3  J   .  HOH  B  212  .  ?        ?     ?     ?     ?     ?     ?  ?     
 85  1  3  K   .  HOH  C  201  .  ?        ?     ?     ?     ?     ?     ?  ?     
 86  1  3  K   .  HOH  C  202  .  ?        ?     ?     ?     ?     ?     ?  ?     
 87  1  3  K   .  HOH  C  203  .  ?        ?     ?     ?     ?     ?     ?  ?     
 88  1  3  K   .  HOH  C  204  .  ?        ?     ?     ?     ?     ?     ?  ?     
 89  1  3  K   .  HOH  C  205  .  ?        ?     ?     ?     ?     ?     ?  ?     
 90  1  3  K   .  HOH  C  206  .  ?        ?     ?     ?     ?     ?     ?  ?     
 91  1  3  K   .  HOH  C  207  .  ?        ?     ?     ?     ?     ?     ?  ?     
 92  1  3  K   .  HOH  C  208  .  ?        ?     ?     ?     ?     ?     ?  ?     
 93  1  3  K   .  HOH  C  209  .  ?        ?     ?     ?     ?     ?     ?  ?     
 94  1  3  K   .  HOH  C  210  .  ?        ?     ?     ?     ?     ?     ?  ?     
 95  1  3  K   .  HOH  C  211  .  ?        ?     ?     ?     ?     ?     ?  ?     
 96  1  3  K   .  HOH  C  212  .  ?        ?     ?     ?     ?     ?     ?  ?     
 97  1  3  K   .  HOH  C  213  .  ?        ?     ?     ?     ?     ?     ?  ?     
 98  1  3  K   .  HOH  C  214  .  ?        ?     ?     ?     ?     ?     ?  ?     
 99  1  3  K   .  HOH  C  215  .  ?        ?     ?     ?     ?     ?     ?  ?     
100  1  3  K   .  HOH  C  216  .  ?        ?     ?     ?     ?     ?     ?  ?     
101  1  3  K   .  HOH  C  217  .  ?        ?     ?     ?     ?     ?     ?  ?     
102  1  3  K   .  HOH  C  218  .  ?        ?     ?     ?     ?     ?     ?  ?     
103  1  3  K   .  HOH  C  219  .  ?        ?     ?     ?     ?     ?     ?  ?     
104  1  3  K   .  HOH  C  220  .  ?        ?     ?     ?     ?     ?     ?  ?     
105  1  3  L   .  HOH  D  201  .  ?        ?     ?     ?     ?     ?     ?  ?     
106  1  3  L   .  HOH  D  202  .  ?        ?     ?     ?     ?     ?     ?  ?     
107  1  3  L   .  HOH  D  203  .  ?        ?     ?     ?     ?     ?     ?  ?     
108  1  3  L   .  HOH  D  204  .  ?        ?     ?     ?     ?     ?     ?  ?     
109  1  3  L   .  HOH  D  205  .  ?        ?     ?     ?     ?     ?     ?  ?     
110  1  3  L   .  HOH  D  206  .  ?        ?     ?     ?     ?     ?     ?  ?     
111  1  3  L   .  HOH  D  207  .  ?        ?     ?     ?     ?     ?     ?  ?     
112  1  3  L   .  HOH  D  208  .  ?        ?     ?     ?     ?     ?     ?  ?     
113  1  3  L   .  HOH  D  209  .  ?        ?     ?     ?     ?     ?     ?  ?     
114  1  3  L   .  HOH  D  210  .  ?        ?     ?     ?     ?     ?     ?  ?     
115  1  3  L   .  HOH  D  211  .  ?        ?     ?     ?     ?     ?     ?  ?     
116  1  3  L   .  HOH  D  212  .  ?        ?     ?     ?     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.RNA_score
_pdbx_vrpt_model_instance_geometry.RNA_suite
_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     ?  ?                    12  27.480    21  2.73    32  2.33  mogul       1.000  
  2    2     ?  ?                    13  28.770    21  2.10    28  2.08  mogul       1.000  
  3    3     ?  ?                    13  21.570    21  2.30    28  1.96  mogul       1.000  
  4    4     ?  ?                    11  25.820    19  2.71    22  1.53  mogul       1.000  
  5    5  0.00  NotAvailable         11  22.820    25  0.66    39  0.79  molprobity  1.000  
  6    6  0.81  Rotameric            11  23.520    22  0.70    34  0.70  molprobity  1.000  
  7    7  0.65  Rotameric            10  23.110    22  0.51    34  1.24  molprobity  1.000  
  8    8  0.89  Rotameric            10  27.870    22  1.07    34  0.88  molprobity  1.000  
  9    9  0.52  Rotameric            11  25.590    25  0.65    39  0.93  molprobity  1.000  
 10   10  0.75  Rotameric            11  24.060    25  0.47    39  1.01  molprobity  1.000  
 11   11  0.76  Rotameric            11  27.000    26  1.06    41  1.62  molprobity  1.000  
 12   12  0.66  Rotameric            10  30.370    22  0.53    34  0.68  molprobity  1.000  
 13   13  0.82  Rotameric            11  26.710    22  0.80    34  1.10  molprobity  1.000  
 14   14  0.77  Rotameric            12  27.900    25  1.25    37  1.45  molprobity  1.000  
 15   15     ?  ?                    12  28.660    21  2.41    32  2.23  mogul       1.000  
 16   16     ?  ?                    13  29.770    21  2.83    28  1.78  mogul       1.000  
 17   17     ?  ?                    13  29.170    21  2.30    28  1.56  mogul       1.000  
 18   18     ?  ?                    11  24.300    19  2.91    22  1.67  mogul       1.000  
 19   19  0.00  NotAvailable         11  25.200    25  0.68    39  0.93  molprobity  1.000  
 20   20  0.77  Rotameric            11  25.330    22  0.75    34  0.93  molprobity  1.000  
 21   21  0.70  Rotameric            10  25.060    22  0.62    34  1.00  molprobity  1.000  
 22   22  0.65  Rotameric            10  27.050    22  0.60    34  1.03  molprobity  1.000  
 23   23  0.40  Rotameric            11  28.630    25  0.81    39  1.06  molprobity  1.000  
 24   24  0.62  Rotameric            11  26.830    25  0.51    39  0.67  molprobity  1.000  
 25   25  0.00  Triaged/NotBinned    11  29.310    26  1.10    41  1.13  molprobity  1.000  
 26   26  0.41  Rotameric            10  21.820    22  0.85    34  0.96  molprobity  1.000  
 27   27  0.69  Rotameric            11  24.210    22  0.58    34  0.77  molprobity  1.000  
 28   28  0.74  Rotameric            12  28.530    25  1.12    37  1.89  molprobity  1.000  
 29   29     ?  ?                    12  32.070    21  2.47    32  2.89  mogul       1.000  
 30   30     ?  ?                    13  21.880    21  2.26    28  1.91  mogul       1.000  
 31   31     ?  ?                    13  22.910    21  1.91    28  1.80  mogul       1.000  
 32   32     ?  ?                    11  23.850    19  2.54    22  1.89  mogul       1.000  
 33   33  0.00  NotAvailable         11  26.460    25  0.52    39  0.90  molprobity  1.000  
 34   34  0.57  Rotameric            11  23.570    22  0.60    34  1.22  molprobity  1.000  
 35   35  0.60  Rotameric            10  25.550    22  1.19    34  1.17  molprobity  1.000  
 36   36  0.72  Rotameric            10  27.960    22  0.79    34  1.32  molprobity  1.000  
 37   37  0.81  Rotameric            11  24.860    25  0.81    39  0.82  molprobity  1.000  
 38   38  0.18  Rotameric            11  27.320    25  0.70    39  0.85  molprobity  1.000  
 39   39  0.40  Rotameric            11  25.890    26  1.10    41  1.81  molprobity  1.000  
 40   40  0.23  Rotameric            10  30.410    22  0.68    34  0.96  molprobity  1.000  
 41   41  0.64  Rotameric            11  30.280    22  0.66    34  0.68  molprobity  1.000  
 42   42  0.00  NonRotameric         12  28.030    25  0.89    37  1.85  molprobity  1.000  
 43   43     ?  ?                    12  26.670    21  2.23    32  2.42  mogul       1.000  
 44   44     ?  ?                    13  28.860    21  2.14    28  2.09  mogul       1.000  
 45   45     ?  ?                    13  27.950    21  2.62    28  1.82  mogul       1.000  
 46   46     ?  ?                    11  23.580    19  2.55    22  2.05  mogul       1.000  
 47   47  0.00  NotAvailable         11  22.510    25  0.78    39  0.87  molprobity  1.000  
 48   48  0.51  Rotameric            11  23.490    22  0.68    34  0.86  molprobity  1.000  
 49   49  0.89  Rotameric            10  24.760    22  0.88    34  1.08  molprobity  1.000  
 50   50  0.87  Rotameric            10  25.420    22  0.69    34  0.77  molprobity  1.000  
 51   51  0.83  Rotameric            11  27.570    25  0.52    39  0.77  molprobity  1.000  
 52   52  0.58  Rotameric            11  31.400    25  0.37    39  1.10  molprobity  1.000  
 53   53  0.00  NonRotameric         11  26.380    26  0.97    41  1.21  molprobity  1.000  
 54   54  0.66  Rotameric            10  29.480    22  0.71    34  0.92  molprobity  1.000  
 55   55  0.69  Rotameric            11  26.770    22  1.19    34  0.66  molprobity  1.000  
 56   56  0.78  Rotameric            12  25.020    25  0.73    37  1.63  molprobity  1.000  
 57   57     ?  ?                     ?  39.090    48  2.04    47  2.60  mogul       1.000  
 58   58     ?  ?                     ?  40.070    18  2.31    19  2.45  mogul       1.000  
 59   59     ?  ?                     ?  36.470    48  2.29    47  2.37  mogul       1.000  
 60   60     ?  ?                     ?  26.170    18  2.14    19  1.58  mogul       1.000  
 61   61     ?  ?                     ?  15.890     ?     ?     ?     ?  ?           1.000  
 62   62     ?  ?                     ?  18.160     ?     ?     ?     ?  ?           1.000  
 63   63     ?  ?                     ?  24.230     ?     ?     ?     ?  ?           0.330  
 64   64     ?  ?                     ?  27.940     ?     ?     ?     ?  ?           1.000  
 65   65     ?  ?                     ?  22.830     ?     ?     ?     ?  ?           0.330  
 66   66     ?  ?                     ?  35.680     ?     ?     ?     ?  ?           1.000  
 67   67     ?  ?                     ?  23.870     ?     ?     ?     ?  ?           1.000  
 68   68     ?  ?                     ?  27.290     ?     ?     ?     ?  ?           0.330  
 69   69     ?  ?                     ?  18.660     ?     ?     ?     ?  ?           1.000  
 70   70     ?  ?                     ?  32.860     ?     ?     ?     ?  ?           1.000  
 71   71     ?  ?                     ?  26.240     ?     ?     ?     ?  ?           1.000  
 72   72     ?  ?                     ?  30.200     ?     ?     ?     ?  ?           1.000  
 73   73     ?  ?                     ?  22.130     ?     ?     ?     ?  ?           1.000  
 74   74     ?  ?                     ?  12.800     ?     ?     ?     ?  ?           1.000  
 75   75     ?  ?                     ?  25.320     ?     ?     ?     ?  ?           0.330  
 76   76     ?  ?                     ?  17.620     ?     ?     ?     ?  ?           1.000  
 77   77     ?  ?                     ?  26.840     ?     ?     ?     ?  ?           1.000  
 78   78     ?  ?                     ?  15.930     ?     ?     ?     ?  ?           0.330  
 79   79     ?  ?                     ?  27.760     ?     ?     ?     ?  ?           1.000  
 80   80     ?  ?                     ?  34.230     ?     ?     ?     ?  ?           1.000  
 81   81     ?  ?                     ?  23.330     ?     ?     ?     ?  ?           1.000  
 82   82     ?  ?                     ?  24.650     ?     ?     ?     ?  ?           1.000  
 83   83     ?  ?                     ?  15.290     ?     ?     ?     ?  ?           1.000  
 84   84     ?  ?                     ?  34.110     ?     ?     ?     ?  ?           1.000  
 85   85     ?  ?                     ?  23.220     ?     ?     ?     ?  ?           1.000  
 86   86     ?  ?                     ?  52.920     ?     ?     ?     ?  ?           1.000  
 87   87     ?  ?                     ?  30.690     ?     ?     ?     ?  ?           1.000  
 88   88     ?  ?                     ?  31.300     ?     ?     ?     ?  ?           1.000  
 89   89     ?  ?                     ?  25.980     ?     ?     ?     ?  ?           1.000  
 90   90     ?  ?                     ?  39.430     ?     ?     ?     ?  ?           1.000  
 91   91     ?  ?                     ?  18.690     ?     ?     ?     ?  ?           0.330  
 92   92     ?  ?                     ?  34.550     ?     ?     ?     ?  ?           1.000  
 93   93     ?  ?                     ?  25.310     ?     ?     ?     ?  ?           1.000  
 94   94     ?  ?                     ?  31.230     ?     ?     ?     ?  ?           1.000  
 95   95     ?  ?                     ?  35.020     ?     ?     ?     ?  ?           1.000  
 96   96     ?  ?                     ?  14.230     ?     ?     ?     ?  ?           1.000  
 97   97     ?  ?                     ?  17.210     ?     ?     ?     ?  ?           0.330  
 98   98     ?  ?                     ?  28.340     ?     ?     ?     ?  ?           1.000  
 99   99     ?  ?                     ?  29.230     ?     ?     ?     ?  ?           1.000  
100  100     ?  ?                     ?  35.320     ?     ?     ?     ?  ?           1.000  
101  101     ?  ?                     ?  26.820     ?     ?     ?     ?  ?           1.000  
102  102     ?  ?                     ?  30.420     ?     ?     ?     ?  ?           0.330  
103  103     ?  ?                     ?  17.600     ?     ?     ?     ?  ?           1.000  
104  104     ?  ?                     ?  13.020     ?     ?     ?     ?  ?           0.330  
105  105     ?  ?                     ?  24.700     ?     ?     ?     ?  ?           1.000  
106  106     ?  ?                     ?  26.360     ?     ?     ?     ?  ?           1.000  
107  107     ?  ?                     ?  14.950     ?     ?     ?     ?  ?           1.000  
108  108     ?  ?                     ?  28.550     ?     ?     ?     ?  ?           1.000  
109  109     ?  ?                     ?  26.170     ?     ?     ?     ?  ?           1.000  
110  110     ?  ?                     ?  25.590     ?     ?     ?     ?  ?           1.000  
111  111     ?  ?                     ?  18.380     ?     ?     ?     ?  ?           1.000  
112  112     ?  ?                     ?  10.040     ?     ?     ?     ?  ?           0.330  
113  113     ?  ?                     ?  21.230     ?     ?     ?     ?  ?           1.000  
114  114     ?  ?                     ?  20.280     ?     ?     ?     ?  ?           1.000  
115  115     ?  ?                     ?  57.620     ?     ?     ?     ?  ?           0.330  
116  116     ?  ?                     ?  32.340     ?     ?     ?     ?  ?           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   2  H41      1  0.43  1.66  
 2   2  H5M1     1  0.43  1.66  
 3   6  "O5'"    2  0.42  2.02  
 4   6  H6       2  0.42  2.02  
 5  15  H3       3  0.41  2.31  
 6  29  "O5'"    4  0.80  1.80  
 7  29  "O5'"    5  0.42  2.61  
 8  29  H6       4  0.80  1.80  
 9  29  N3       6  0.56  2.20  
10  29  C6       5  0.42  2.61  
11  30  H5M3     6  0.56  2.20  
12  38  C2       7  0.50  2.65  
13  38  C2       8  0.40  3.09  
14  47  "H2'"    9  0.40  2.22  
15  48  "O4'"    9  0.40  2.22  
16  50  O2       7  0.50  2.65  
17  50  C2       8  0.40  3.09  
18  57  C2B      3  0.41  2.31  
19  60  C3D     10  0.85  2.64  
20  60  PA      10  0.85  2.64  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  55
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       "O3'"
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       P
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.545
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.607
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.012
_pdbx_vrpt_instance_intra_bond_outliers.Z            -5.18
_pdbx_vrpt_instance_intra_bond_outliers.link         Y
#
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  39  "C4'"  "C3'"  "C2'"  96.402  102.600  1.000  -6.20  
2  42  "C4'"  "C3'"  "C2'"  96.520  102.600  1.000  -6.08  
#
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   1  "O4'"  "C4'"  1.41  1.45    165  0.01  -3.25  0.00  
  2   1  "C6'"  "C4'"  1.47  1.53     74  0.02  -2.74  0.03  
  3   1  "O4'"  "C1'"  1.48  1.42     97  0.01   3.71  0.00  
  4   1  C6     N1     1.42  1.38    917  0.02   2.54  0.00  
  5   1  C6     C5     1.39  1.34    855  0.02   3.19  0.00  
  6   1  C5M    C5     1.40  1.50   6628  0.02  -4.08  0.00  
  7   1  C4     C5     1.37  1.44    632  0.02  -4.69  0.00  
  8   1  C4     N3     1.45  1.38   3597  0.02   3.74  0.00  
  9   1  "O3'"  "C3'"  1.48  1.42   2896  0.02   2.90  0.00  
 10   1  "O2'"  "C2'"  1.48  1.43    476  0.02   2.17  0.00  
 11   1  "O2'"  "C6'"  1.54  1.43    628  0.02   5.70  0.00  
 12   2  P      "O5'"  1.55  1.62     26  0.03  -2.73  0.01  
 13   2  "C4'"  "C3'"  1.49  1.53     46  0.01  -3.69  0.02  
 14   2  C6     N1     1.41  1.38    917  0.02   2.15  0.00  
 15   2  C2     N1     1.34  1.40    396  0.02  -2.64  0.00  
 16   2  C6     C5     1.41  1.34    855  0.02   4.36  0.00  
 17   2  C5M    C5     1.42  1.50   6628  0.02  -3.14  0.00  
 18   2  "O3'"  "C3'"  1.49  1.42   2896  0.02   3.38  0.00  
 19   2  "O2'"  "C6'"  1.50  1.43    628  0.02   3.56  0.00  
 20   3  "C5'"  "C4'"  1.57  1.51     71  0.02   3.70  0.01  
 21   3  "C4'"  "C3'"  1.47  1.53     46  0.01  -5.27  0.04  
 22   3  "C6'"  "C4'"  1.48  1.53     74  0.02  -2.18  0.02  
 23   3  C2     N1     1.35  1.40    396  0.02  -2.08  0.00  
 24   3  C5M    C5     1.40  1.50   6628  0.02  -4.04  0.00  
 25   3  "C2'"  "C3'"  1.44  1.53     87  0.02  -3.86  0.04  
 26   3  "O2'"  "C2'"  1.34  1.43    476  0.02  -4.25  0.01  
 27   4  "C4'"  "C3'"  1.49  1.53     46  0.01  -4.04  0.02  
 28   4  "O2'"  "C6'"  1.56  1.43    628  0.02   6.75  0.02  
 29   4  C5     C4     1.34  1.43     44  0.03  -3.57  0.01  
 30   4  C5     C6     1.34  1.47     49  0.02  -6.38  0.06  
 31   4  "O2'"  "C2'"  1.38  1.43    476  0.02  -2.34  0.00  
 32   4  "O4'"  "C4'"  1.42  1.45    165  0.01  -2.04  0.00  
 33   4  "O4'"  "C1'"  1.46  1.42     97  0.01   2.65  0.01  
 34  15  "O4'"  "C4'"  1.42  1.45    165  0.01  -2.37  0.00  
 35  15  "C4'"  "C3'"  1.49  1.53     46  0.01  -3.71  0.02  
 36  15  "C6'"  "C4'"  1.56  1.53     74  0.02   2.00  0.01  
 37  15  "O4'"  "C1'"  1.51  1.42     97  0.01   6.15  0.04  
 38  15  C6     C5     1.40  1.34    855  0.02   3.31  0.00  
 39  15  C5M    C5     1.38  1.50   6628  0.02  -4.93  0.00  
 40  15  C4     C5     1.40  1.44    632  0.02  -2.56  0.00  
 41  15  "O2'"  "C6'"  1.48  1.43    628  0.02   2.72  0.00  
 42  16  "O4'"  "C4'"  1.36  1.45    165  0.01  -6.70  0.05  
 43  16  "C6'"  "C4'"  1.57  1.53     74  0.02   2.19  0.01  
 44  16  "O4'"  "C1'"  1.50  1.42     97  0.01   5.19  0.03  
 45  16  C5M    C5     1.41  1.50   6628  0.02  -3.88  0.00  
 46  16  "O2'"  "C2'"  1.49  1.43    476  0.02   2.73  0.01  
 47  16  "O2'"  "C6'"  1.56  1.43    628  0.02   7.12  0.02  
 48  17  "C4'"  "C3'"  1.46  1.53     46  0.01  -5.85  0.05  
 49  17  "C6'"  "C4'"  1.58  1.53     74  0.02   3.10  0.01  
 50  17  C6     N1     1.43  1.38    917  0.02   2.91  0.00  
 51  17  C2     N1     1.33  1.40    396  0.02  -3.05  0.00  
 52  17  C5M    C5     1.41  1.50   6628  0.02  -3.62  0.00  
 53  17  "C2'"  "C3'"  1.45  1.53     87  0.02  -3.34  0.03  
 54  17  "O2'"  "C2'"  1.51  1.43    476  0.02   3.33  0.00  
 55  18  "O3'"  "C3'"  1.36  1.42   2896  0.02  -2.94  0.00  
 56  18  "O2'"  "C6'"  1.50  1.43    628  0.02   3.62  0.00  
 57  18  C5     C4     1.34  1.43     44  0.03  -3.48  0.01  
 58  18  C5     C6     1.34  1.47     49  0.02  -6.43  0.07  
 59  18  C6     N1     1.33  1.37    314  0.01  -3.06  0.00  
 60  18  "O4'"  "C4'"  1.53  1.45    165  0.01   5.39  0.03  
 61  18  "O4'"  "C1'"  1.51  1.42     97  0.01   6.04  0.04  
 62  29  "O4'"  "C4'"  1.42  1.45    165  0.01  -2.36  0.00  
 63  29  "C4'"  "C3'"  1.47  1.53     46  0.01  -5.61  0.04  
 64  29  "C6'"  "C4'"  1.47  1.53     74  0.02  -3.18  0.03  
 65  29  C6     C5     1.40  1.34    855  0.02   3.41  0.00  
 66  29  C5M    C5     1.38  1.50   6628  0.02  -5.08  0.00  
 67  29  C4     C5     1.39  1.44    632  0.02  -3.11  0.00  
 68  29  "O2'"  "C6'"  1.51  1.43    628  0.02   4.15  0.00  
 69  30  P      "O5'"  1.71  1.62     26  0.03   2.86  0.02  
 70  30  "O4'"  "C1'"  1.46  1.42     97  0.01   2.35  0.01  
 71  30  C2     N1     1.34  1.40    396  0.02  -2.51  0.00  
 72  30  C5M    C5     1.41  1.50   6628  0.02  -3.63  0.00  
 73  30  "O3'"  "C3'"  1.50  1.42   2896  0.02   4.05  0.00  
 74  30  "O2'"  "C6'"  1.56  1.43    628  0.02   6.77  0.02  
 75  31  "C4'"  "C3'"  1.47  1.53     46  0.01  -5.44  0.04  
 76  31  C2     N1     1.33  1.40    396  0.02  -3.19  0.00  
 77  31  C5M    C5     1.42  1.50   6628  0.02  -3.41  0.00  
 78  31  "O2'"  "C6'"  1.48  1.43    628  0.02   2.44  0.00  
 79  32  "C4'"  "C3'"  1.51  1.53     46  0.01  -2.08  0.00  
 80  32  "O2'"  "C6'"  1.54  1.43    628  0.02   5.88  0.00  
 81  32  C5     C4     1.33  1.43     44  0.03  -3.79  0.02  
 82  32  C5     C6     1.34  1.47     49  0.02  -6.53  0.07  
 83  32  "O4'"  "C4'"  1.42  1.45    165  0.01  -2.47  0.00  
 84  32  "O4'"  "C1'"  1.48  1.42     97  0.01   3.81  0.01  
 85  43  "O4'"  "C4'"  1.42  1.45    165  0.01  -2.11  0.00  
 86  43  "C4'"  "C3'"  1.48  1.53     46  0.01  -4.34  0.03  
 87  43  C6     C5     1.39  1.34    855  0.02   3.20  0.00  
 88  43  C5M    C5     1.35  1.50   6628  0.02  -6.00  0.01  
 89  43  "C2'"  "C3'"  1.47  1.53     87  0.02  -2.71  0.02  
 90  43  "O2'"  "C2'"  1.51  1.43    476  0.02   3.35  0.00  
 91  44  "C4'"  "C3'"  1.48  1.53     46  0.01  -4.23  0.03  
 92  44  "O4'"  "C1'"  1.38  1.42     97  0.01  -3.20  0.00  
 93  44  C2     N1     1.34  1.40    396  0.02  -2.69  0.00  
 94  44  C6     C5     1.38  1.34    855  0.02   2.09  0.00  
 95  44  C5M    C5     1.42  1.50   6628  0.02  -3.45  0.00  
 96  44  "C2'"  "C3'"  1.46  1.53     87  0.02  -3.18  0.03  
 97  44  "O2'"  "C2'"  1.48  1.43    476  0.02   2.26  0.00  
 98  44  "O2'"  "C6'"  1.50  1.43    628  0.02   3.69  0.00  
 99  45  P      "O5'"  1.54  1.62     26  0.03  -2.86  0.02  
100  45  "O4'"  "C4'"  1.40  1.45    165  0.01  -3.87  0.01  
101  45  "C4'"  "C3'"  1.49  1.53     46  0.01  -3.37  0.02  
102  45  "C6'"  "C4'"  1.58  1.53     74  0.02   2.87  0.00  
103  45  "C2'"  "C1'"  1.47  1.53    534  0.03  -2.28  0.00  
104  45  C6     N1     1.44  1.38    917  0.02   3.78  0.00  
105  45  C2     N1     1.33  1.40    396  0.02  -2.96  0.00  
106  45  C6     C5     1.39  1.34    855  0.02   2.98  0.00  
107  45  C5M    C5     1.38  1.50   6628  0.02  -4.99  0.00  
108  45  "C2'"  "C3'"  1.47  1.53     87  0.02  -2.55  0.01  
109  45  "O2'"  "C2'"  1.49  1.43    476  0.02   2.71  0.01  
110  45  "O2'"  "C6'"  1.51  1.43    628  0.02   3.97  0.00  
111  46  "C2'"  "C3'"  1.45  1.53     87  0.02  -3.42  0.03  
112  46  "O2'"  "C6'"  1.48  1.43    628  0.02   2.76  0.00  
113  46  C5     C4     1.36  1.43     44  0.03  -2.45  0.00  
114  46  C4     N3     1.31  1.37     40  0.02  -2.31  0.01  
115  46  C5     C6     1.34  1.47     49  0.02  -6.18  0.06  
116  46  "O2'"  "C2'"  1.49  1.43    476  0.02   2.34  0.00  
117  46  "O4'"  "C4'"  1.51  1.45    165  0.01   4.21  0.01  
118  46  "O4'"  "C1'"  1.49  1.42     97  0.01   4.22  0.01  
119  57  C5A    C6A    1.36  1.47     49  0.02  -5.59  0.05  
120  57  C5A    C4A    1.35  1.43     44  0.03  -2.93  0.00  
121  57  O4D    C1D    1.45  1.41     20  0.01   3.41  0.02  
122  57  C2D    C1D    1.57  1.53     22  0.02   2.16  0.00  
123  57  PA     O2A    1.49  1.54     69  0.02  -2.78  0.00  
124  57  C3C    N1C    1.34  1.39     64  0.02  -2.73  0.00  
125  57  C2C    N2C    1.32  1.39     64  0.02  -3.55  0.01  
126  57  PG     O2G    1.63  1.54     69  0.02   3.92  0.02  
127  57  PG     O5E    1.60  1.57     28  0.01   2.81  0.01  
128  57  O4E    C4E    1.51  1.45   4334  0.02   2.88  0.00  
129  57  O4E    C1E    1.44  1.41     20  0.01   2.36  0.01  
130  57  C2E    C3E    1.42  1.53   1238  0.03  -3.81  0.00  
131  57  C5B    N7B    1.31  1.39     21  0.04  -2.18  0.05  
132  57  C5B    C4B    1.34  1.40     24  0.03  -2.49  0.03  
133  57  C6B    C5B    1.33  1.43     41  0.04  -2.65  0.04  
134  57  C2B    N3B    1.36  1.32    173  0.02   2.63  0.00  
135  57  C2B    N1B    1.37  1.33   3580  0.02   2.04  0.00  
136  58  C5A    C6A    1.37  1.47     49  0.02  -5.15  0.04  
137  58  C5A    C4A    1.35  1.43     44  0.03  -2.84  0.01  
138  58  O4D    C1D    1.47  1.41     20  0.01   4.26  0.03  
139  58  O3D    C3D    1.56  1.43  10000  0.02   5.81  0.00  
140  58  C3D    C4D    1.58  1.53   1443  0.03   2.13  0.00  
141  59  C5A    C6A    1.36  1.47     49  0.02  -5.32  0.04  
142  59  C5A    C4A    1.35  1.43     44  0.03  -3.12  0.00  
143  59  O4D    C1D    1.44  1.41     20  0.01   2.46  0.01  
144  59  O2D    C2D    1.51  1.43  10000  0.02   3.75  0.00  
145  59  O3D    C3D    1.49  1.43  10000  0.02   2.57  0.00  
146  59  PA     O5D    1.65  1.57     28  0.01   8.41  0.07  
147  59  PA     O2A    1.49  1.54     69  0.02  -2.46  0.01  
148  59  C1C    N1C    1.29  1.37     30  0.02  -3.30  0.05  
149  59  C3C    N1C    1.33  1.39     64  0.02  -3.47  0.01  
150  59  C2C    N2C    1.32  1.39     64  0.02  -3.95  0.02  
151  59  O4E    C1E    1.44  1.41     20  0.01   2.10  0.00  
152  59  O2E    C2E    1.48  1.43  10000  0.02   2.19  0.00  
153  59  C6B    C5B    1.32  1.43     41  0.04  -2.86  0.04  
154  59  C2B    N3B    1.36  1.32    173  0.02   2.99  0.01  
155  59  C2B    N1B    1.41  1.33   3580  0.02   4.02  0.00  
156  60  C6A    N1A    1.43  1.37    314  0.01   3.55  0.01  
157  60  C5A    C6A    1.35  1.47     49  0.02  -6.02  0.06  
158  60  C5A    C4A    1.36  1.43     44  0.03  -2.60  0.01  
159  60  C8A    N7A    1.31  1.35     60  0.02  -2.32  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   1  "O5'"  "C5'"  "C4'"  101.44  111.71    93  2.02   -5.09   4.39  
  2   1  "O4'"  "C4'"  "C5'"  105.27  108.97    46  1.81   -2.05   1.29  
  3   1  "O4'"  "C1'"  N1     112.84  108.77    74  1.29    3.16   0.22  
  4   1  "O4'"  "C1'"  "C2'"   99.53  104.50    48  2.19   -2.27   2.46  
  5   1  "C1'"  N1     C2     121.46  117.57   332  1.81    2.15   0.12  
  6   1  O4     C4     C5     120.01  124.90   632  1.16   -4.22   0.23  
  7   1  C5     C4     N3     119.28  115.31   629  0.85    4.65   0.07  
  8   1  C4     N3     C2     121.09  127.35  1185  1.30   -4.84   0.43  
  9   1  N3     C2     N1     119.31  114.89   961  1.33    3.33   0.28  
 10   1  "C3'"  "C2'"  "C1'"  107.06  100.22    30  2.25    3.04   4.52  
 11   1  "O2'"  "C6'"  "C4'"   96.33  103.78    35  1.94   -3.84   4.72  
 12   2  "O4'"  "C4'"  "C3'"   96.89  102.22    41  1.32   -4.02   3.03  
 13   2  "O4'"  "C4'"  "C6'"  115.88  105.97    24  2.11    4.68   7.65  
 14   2  C5     C6     N1     117.44  123.34   431  1.03   -5.73   0.05  
 15   2  C5     C4     N4     117.35  121.48    27  1.50   -2.76   2.32  
 16   2  N1     C2     N3     122.70  118.81   391  1.82    2.14   0.22  
 17   2  O2     C2     N3     119.01  122.33   702  1.63   -2.04   0.03  
 18   2  "O3'"  "C3'"  "C4'"  118.44  112.52    46  2.67    2.22   1.66  
 19   2  "O2'"  "C2'"  "C3'"   98.85  103.42    22  1.97   -2.33   1.26  
 20   2  "O2'"  "C6'"  "C4'"   99.68  103.78    35  1.94   -2.12   1.38  
 21   3  "O4'"  "C4'"  "C3'"  105.01  102.22    41  1.32    2.11   0.82  
 22   3  "C4'"  "O4'"  "C1'"  101.48  107.58    44  1.75   -3.49   2.66  
 23   3  "O4'"  "C1'"  N1     114.13  108.77    74  1.29    4.17   1.07  
 24   3  "C1'"  N1     C6     115.14  121.12   220  1.66   -3.59   0.21  
 25   3  "C1'"  N1     C2     123.53  118.42   171  2.23    2.29   0.19  
 26   3  C5M    C5     C6     116.29  122.85   855  1.34   -4.91   0.24  
 27   3  C5     C4     N4     117.91  121.48    27  1.50   -2.39   1.76  
 28   4  "O2'"  "C6'"  "C4'"   99.26  103.78    35  1.94   -2.33   1.79  
 29   4  C8     N7     C5     107.11  102.99    26  1.90    2.16   0.07  
 30   4  C5     C6     N1     119.53  113.95    45  1.77    3.16   1.89  
 31   4  C2     N1     C6     119.39  125.10   790  1.84   -3.10   0.02  
 32   4  "C4'"  "O4'"  "C1'"  103.28  107.58    44  1.75   -2.46   0.86  
 33  15  "O5'"  "C5'"  "C4'"  102.12  111.71    93  2.02   -4.75   3.71  
 34  15  "O4'"  "C4'"  "C5'"  114.76  108.97    46  1.81    3.20   2.24  
 35  15  "O4'"  "C4'"  "C3'"   99.02  102.22    41  1.32   -2.42   0.90  
 36  15  "C4'"  "O4'"  "C1'"   99.97  107.58    44  1.75   -4.35   4.17  
 37  15  "O4'"  "C1'"  N1     111.49  108.77    74  1.29    2.12   0.17  
 38  15  "C1'"  N1     C6     117.48  121.12   220  1.66   -2.19   0.02  
 39  15  C5     C6     N1     119.64  123.34   431  1.03   -3.59   0.17  
 40  15  C5M    C5     C6     119.71  122.85   855  1.34   -2.35   0.07  
 41  15  C5M    C5     C4     121.26  118.77   632  1.10    2.26   0.12  
 42  15  C5     C4     N3     118.95  115.31   629  0.85    4.26   0.17  
 43  15  C4     N3     C2     122.32  127.35  1185  1.30   -3.89   0.30  
 44  15  N3     C2     N1     118.24  114.89   961  1.33    2.52   0.04  
 45  15  "C6'"  "O2'"  "C2'"  103.14  107.65    89  1.83   -2.46   0.98  
 46  16  "O4'"  "C4'"  "C6'"  113.50  105.97    24  2.11    3.56   5.28  
 47  16  "C1'"  N1     C6     116.33  121.12   220  1.66   -2.88   0.19  
 48  16  "C1'"  N1     C2     123.32  118.42   171  2.23    2.19   0.03  
 49  16  C5M    C5     C6     116.53  122.85   855  1.34   -4.73   0.27  
 50  16  O2     C2     N1     123.36  118.89   396  2.06    2.16   0.06  
 51  16  O2     C2     N3     118.33  122.33   702  1.63   -2.46   0.01  
 52  16  "O2'"  "C6'"  "C4'"   97.63  103.78    35  1.94   -3.18   3.43  
 53  17  "O4'"  "C4'"  "C6'"  111.02  105.97    24  2.11    2.39   2.80  
 54  17  "C4'"  "O4'"  "C1'"  101.52  107.58    44  1.75   -3.47   2.62  
 55  17  C5     C6     N1     120.95  123.34   431  1.03   -2.32   0.01  
 56  17  C5M    C5     C6     118.73  122.85   855  1.34   -3.09   0.01  
 57  17  C5     C4     N4     118.06  121.48    27  1.50   -2.29   1.62  
 58  17  "O3'"  "C3'"  "C2'"  105.12  112.57    87  3.17   -2.35   1.71  
 59  17  "O2'"  "C6'"  "C4'"   98.75  103.78    35  1.94   -2.60   2.31  
 60  18  "O2'"  "C6'"  "C4'"   99.13  103.78    35  1.94   -2.40   1.92  
 61  18  C5     C6     N1     118.94  113.95    45  1.77    2.82   2.09  
 62  18  O6     C6     N1     117.74  120.65   314  1.18   -2.47   0.06  
 63  18  "O4'"  "C4'"  "C5'"  118.35  108.82    30  2.97    3.21   6.23  
 64  18  C2     N1     C6     119.86  125.10   790  1.84   -2.84   0.09  
 65  18  "C4'"  "O4'"  "C1'"  103.54  107.58    44  1.75   -2.31   0.61  
 66  29  "O5'"  "C5'"  "C4'"   93.63  111.71    93  2.02   -8.96  12.21  
 67  29  "O4'"  "C4'"  "C3'"  107.19  102.22    41  1.32    3.75   1.25  
 68  29  "O4'"  "C1'"  N1     102.91  108.77    74  1.29   -4.55   2.46  
 69  29  C5     C6     N1     119.78  123.34   431  1.03   -3.46   0.04  
 70  29  C5M    C5     C6     119.25  122.85   855  1.34   -2.69   0.16  
 71  29  C5M    C5     C4     121.32  118.77   632  1.10    2.32   0.06  
 72  29  O4     C4     C5     121.52  124.90   632  1.16   -2.92   0.06  
 73  29  C5     C4     N3     119.33  115.31   629  0.85    4.71   0.12  
 74  29  C4     N3     C2     120.22  127.35  1185  1.30   -5.51   0.35  
 75  29  N3     C2     N1     120.61  114.89   961  1.33    4.31   0.11  
 76  29  O2     C2     N1     118.98  122.79   963  1.33   -2.86   0.13  
 77  29  "O2'"  "C2'"  "C3'"   98.68  103.42    22  1.97   -2.41   1.42  
 78  29  "O2'"  "C6'"  "C4'"   97.60  103.78    35  1.94   -3.19   3.46  
 79  30  "O4'"  "C4'"  "C5'"  115.83  108.82    30  2.97    2.36   3.72  
 80  30  "O4'"  "C1'"  N1     112.45  108.77    74  1.29    2.86   0.61  
 81  30  "C2'"  "C1'"  N1     109.05  114.22   296  1.94   -2.66   0.39  
 82  30  C5     C6     N1     120.97  123.34   431  1.03   -2.30   0.01  
 83  30  C5M    C5     C6     117.85  122.85   855  1.34   -3.74   0.02  
 84  30  "O2'"  "C2'"  "C3'"   95.03  103.42    22  1.97   -4.27   5.07  
 85  30  "C6'"  "O2'"  "C2'"  111.61  107.65    89  1.83    2.16   0.76  
 86  30  "O2'"  "C6'"  "C4'"   93.96  103.78    35  1.94   -5.07   7.09  
 87  31  C5M    C5     C6     116.88  122.85   855  1.34   -4.47   0.08  
 88  31  C5     C4     N3     116.92  121.67    27  1.08   -4.40   2.81  
 89  31  C4     N3     C2     126.53  120.69   122  1.35    4.33   0.08  
 90  31  "O2'"  "C6'"  "C4'"   97.09  103.78    35  1.94   -3.45   3.96  
 91  32  "O2'"  "C6'"  "C4'"   99.81  103.78    35  1.94   -2.05   1.25  
 92  32  C8     N7     C5     111.00  102.99    26  1.90    4.21   3.96  
 93  32  C5     C6     N1     118.69  113.95    45  1.77    2.68   1.84  
 94  32  O6     C6     N1     118.28  120.65   314  1.18   -2.01   0.03  
 95  32  "O2'"  "C2'"  "C3'"  108.46  103.42    22  1.97    2.56   2.72  
 96  32  N1     C2     N3     119.58  123.32   983  1.87   -2.00   0.04  
 97  32  C2     N1     C6     119.79  125.10   790  1.84   -2.88   0.16  
 98  32  "C4'"  "O4'"  "C1'"  102.31  107.58    44  1.75   -3.02   1.84  
 99  43  "O5'"  "C5'"  "C4'"  104.82  111.71    93  2.02   -3.41   1.01  
100  43  "O4'"  "C4'"  "C5'"  113.62  108.97    46  1.81    2.57   1.11  
101  43  "O4'"  "C1'"  N1     112.65  108.77    74  1.29    3.02   0.41  
102  43  C6     N1     C2     118.95  121.30   636  1.01   -2.32   0.06  
103  43  C5     C6     N1     120.75  123.34   431  1.03   -2.52   0.21  
104  43  C5M    C5     C6     114.89  122.85   855  1.34   -5.96   0.29  
105  43  C6     C5     C4     120.66  118.03   591  0.84    3.15   0.15  
106  43  C5M    C5     C4     124.41  118.77   632  1.10    5.13   0.30  
107  43  C4     N3     C2     121.96  127.35  1185  1.30   -4.17   0.11  
108  43  N3     C2     N1     121.36  114.89   961  1.33    4.87   0.86  
109  43  O2     C2     N1     118.97  122.79   963  1.33   -2.87   0.12  
110  43  "O2'"  "C6'"  "C4'"   98.98  103.78    35  1.94   -2.47   2.07  
111  44  "O4'"  "C4'"  "C3'"   99.17  102.22    41  1.32   -2.31   0.75  
112  44  "O4'"  "C4'"  "C6'"  112.08  105.97    24  2.11    2.89   3.85  
113  44  "C2'"  "C1'"  N1     119.57  114.22   296  1.94    2.75   0.17  
114  44  C5     C6     N1     118.15  123.34   431  1.03   -5.05   0.00  
115  44  C5M    C5     C6     118.51  122.85   855  1.34   -3.25   0.02  
116  44  C5     C4     N4     114.90  121.48    27  1.50   -4.40   4.77  
117  44  C4     N3     C2     117.45  120.69   122  1.35   -2.40   0.39  
118  44  N1     C2     N3     123.00  118.81   391  1.82    2.30   0.51  
119  44  O2     C2     N3     118.99  122.33   702  1.63   -2.06   0.05  
120  44  "O2'"  "C6'"  "C4'"   95.38  103.78    35  1.94   -4.34   5.68  
121  45  "C4'"  "O4'"  "C1'"  103.60  107.58    44  1.75   -2.28   0.54  
122  45  "O4'"  "C1'"  N1     104.70  108.77    74  1.29   -3.16   0.67  
123  45  C5M    C5     C6     118.90  122.85   855  1.34   -2.96   0.04  
124  45  C5     C4     N4     124.72  121.48    27  1.50    2.17   0.20  
125  45  C5     C4     N3     118.97  121.67    27  1.08   -2.50   0.76  
126  45  C4     N3     C2     127.30  120.69   122  1.35    4.89   0.69  
127  45  O2     C2     N1     124.01  118.89   396  2.06    2.48   0.07  
128  45  O2     C2     N3     118.55  122.33   702  1.63   -2.33   0.10  
129  45  "O2'"  "C6'"  "C4'"   98.21  103.78    35  1.94   -2.87   2.85  
130  46  "O2'"  "C6'"  "C4'"   99.04  103.78    35  1.94   -2.45   2.02  
131  46  C8     N7     C5     107.61  102.99    26  1.90    2.43   0.58  
132  46  C5     C6     N1     118.49  113.95    45  1.77    2.57   1.64  
133  46  "O4'"  "C4'"  "C5'"  115.61  108.82    30  2.97    2.29   3.49  
134  46  "O4'"  "C4'"  "C3'"  106.64  102.22    41  1.32    3.33   0.69  
135  46  N2     C2     N1     122.13  116.71  1007  2.13    2.54   0.03  
136  46  N1     C2     N3     118.31  123.32   983  1.87   -2.68   0.14  
137  46  C2     N1     C6     120.84  125.10   790  1.84   -2.31   0.01  
138  46  "C4'"  "O4'"  "C1'"   98.55  107.58    44  1.75   -5.17   5.59  
139  57  O6A    C6A    N1A    116.16  120.65   314  1.18   -3.80   0.07  
140  57  C5A    C6A    N1A    119.37  113.95    45  1.77    3.07   2.05  
141  57  C2A    N1A    C6A    119.49  125.10   790  1.84   -3.05   0.01  
142  57  O5D    PA     O1A    101.30  115.29    32  1.31  -10.68  11.64  
143  57  O2A    PA     N1C    111.95  105.21    21  2.58    2.61   1.29  
144  57  N3C    C1C    N1C    127.52  123.79    24  1.32    2.82   1.55  
145  57  N3C    C1C    N2C    126.58  123.79    24  1.32    2.11   0.61  
146  57  O4E    C4E    C5E    120.42  109.37   954  3.29    3.36   0.06  
147  57  C5E    C4E    C3E    106.44  115.18   341  3.75   -2.33   0.35  
148  57  O2E    C2E    C3E    101.77  111.82  2473  3.23   -3.11   0.01  
149  57  C1E    N9B    C4B    115.72  126.64    30  1.76   -6.21   7.37  
150  57  N3B    C2B    N1B    120.40  128.68   136  1.56   -5.30   4.78  
151  57  C5B    C6B    N6B    115.37  120.35    41  1.52   -3.28   3.07  
152  57  N6B    C6B    N1B    124.31  118.57    33  2.08    2.76   0.06  
153  58  O6A    C6A    N1A    116.69  120.65   314  1.18   -3.35   0.03  
154  58  C5A    C6A    N1A    119.62  113.95    45  1.77    3.21   1.80  
155  58  C2A    N1A    C6A    119.09  125.10   790  1.84   -3.26   0.13  
156  58  N1A    C2A    N3A    118.88  123.32   983  1.87   -2.38   0.11  
157  58  C8A    N7A    C5A    108.35  102.99    26  1.90    2.81   1.31  
158  58  O4D    C1D    C2D    102.31  106.93    21  1.46   -3.16   1.03  
159  58  C3D    C2D    C1D    107.53  100.98    21  1.51    4.35   4.23  
160  58  O3D    C3D    C4D    122.30  111.05  1443  2.89    3.89   0.61  
161  58  O4D    C4D    C5D     96.88  109.37   954  3.29   -3.80   0.26  
162  59  O6A    C6A    N1A    116.19  120.65   314  1.18   -3.78   0.04  
163  59  C5A    C6A    N1A    119.98  113.95    45  1.77    3.41   1.45  
164  59  C2A    N1A    C6A    120.48  125.10   790  1.84   -2.51   0.06  
165  59  N2A    C2A    N1A    121.67  116.71  1007  2.13    2.33   0.07  
166  59  N1A    C2A    N3A    117.60  123.32   983  1.87   -3.06   0.02  
167  59  C8A    N7A    C5A    106.97  102.99    26  1.90    2.09   0.06  
168  59  C3D    C2D    C1D    107.30  100.98    21  1.51    4.20   4.01  
169  59  O4D    C4D    C3D    110.43  105.11  1233  1.98    2.69   0.03  
170  59  O4D    C4D    C5D    102.21  109.37   954  3.29   -2.18   0.08  
171  59  O5D    PA     O1A    105.72  115.29    32  1.31   -7.31   7.23  
172  59  O2A    PA     N1C    115.00  105.21    21  2.58    3.79   4.33  
173  59  N3C    C1C    N2C    126.67  123.79    24  1.32    2.18   0.70  
174  59  C2C    C3C    N1C    108.99  106.86   232  0.86    2.46   0.01  
175  59  O5E    PG     O1G    109.35  115.29    32  1.31   -4.54   3.60  
176  59  O5E    C5E    C4E    101.64  108.99   473  3.44   -2.13   0.17  
177  59  O2E    C2E    C1E    103.37  110.85    22  3.69   -2.03   1.87  
178  59  C1E    N9B    C4B    120.71  126.64    30  1.76   -3.37   2.38  
179  59  N3B    C2B    N1B    118.31  128.68   136  1.56   -6.63   4.80  
180  60  C5A    C6A    N1A    117.61  113.95    45  1.77    2.07   0.76  
181  60  C2A    N1A    C6A    118.57  125.10   790  1.84   -3.54   0.10  
182  60  C8A    N7A    C5A    108.69  102.99    26  1.90    2.99   1.65  
#
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  43  "O4'"  "C4'"  "C5'"  "O5'"   -37.39   31.97   78  28.04  10.11  0.00  
 2  43  "C3'"  "C4'"  "C5'"  "O5'"    81.10   46.72   53  29.66  16.95  0.00  
 3  45  "O4'"  "C4'"  "C5'"  "O5'"   -43.95   42.41   44  47.51   5.57  4.55  
 4  57  O4D    C4D    C5D    O5D     -15.24   55.39  451  24.10  19.81  0.00  
 5  57  C3D    C4D    C5D    O5D      97.54   47.65  451  13.96   2.61  0.22  
 6  57  C5D    O5D    PA     O1A    -176.47  127.86   83  29.84   1.60  3.61  
 7  57  C5E    O5E    PG     N2C      11.53   94.32   47  40.62  45.39  0.00  
 8  57  C5E    O5E    PG     O1G    -119.50   74.90   83  17.48  38.69  0.00  
 9  57  O4E    C4E    C5E    O5E    -122.09   56.18  451   8.53  14.47  0.00  
10  57  C3E    C4E    C5E    O5E      -1.63   67.98  451  41.06   1.18  0.22  
11  58  O4D    C4D    C5D    O5D     158.44   89.09  451  18.84   5.44  0.44  
12  58  C3D    C4D    C5D    O5D     -90.11   42.20  451  18.03   6.53  0.22  
13  58  C4D    C5D    O5D    PA      112.63   44.69  456  16.37   0.21  2.85  
14  59  O4D    C4D    C5D    O5D     -27.16   43.47  451  24.10   7.89  0.22  
15  59  C3D    C4D    C5D    O5D      89.73   41.92  451  18.25   6.15  0.22  
16  59  C5D    O5D    PA     O1A    -171.84  123.46   83  28.88   6.23  3.61  
17  59  C5E    O5E    PG     O1G     151.16  104.27   83  23.11  26.92  0.00  
18  60  O4D    C4D    C5D    O5D    -109.83   45.11  451   9.06   2.20  0.44  
19  60  C3D    C4D    C5D    O5D       8.66   60.97  451  41.03   4.49  0.44  
20  60  C4D    C5D    O5D    PA      -25.73  130.52  456  19.04  57.86  0.00  
#
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  19  0.921  0.094       ?  
  2    2  22  0.947  0.086       ?  
  3    3  22  0.965  0.083       ?  
  4    4  24  0.972  0.077       ?  
  5    5  22  0.940  0.092  -0.346  
  6    6  20  0.962  0.069  -0.599  
  7    7  20  0.964  0.070  -0.742  
  8    8  20  0.978  0.074  -0.691  
  9    9  22  0.945  0.076  -0.666  
 10   10  22  0.967  0.076  -0.666  
 11   11  23  0.963  0.078  -0.540  
 12   12  20  0.944  0.084  -0.562  
 13   13  20  0.937  0.078  -0.472  
 14   14  23  0.953  0.088  -0.355  
 15   15  19  0.949  0.077       ?  
 16   16  22  0.943  0.088       ?  
 17   17  22  0.941  0.094       ?  
 18   18  24  0.958  0.086       ?  
 19   19  22  0.960  0.074  -0.706  
 20   20  20  0.953  0.079  -0.458  
 21   21  20  0.938  0.087  -0.524  
 22   22  20  0.955  0.076  -0.665  
 23   23  22  0.952  0.082  -0.546  
 24   24  22  0.952  0.083  -0.526  
 25   25  23  0.944  0.071  -0.669  
 26   26  20  0.957  0.077  -0.652  
 27   27  20  0.961  0.089  -0.316  
 28   28  23  0.926  0.085  -0.410  
 29   29  19  0.902  0.084       ?  
 30   30  22  0.940  0.087       ?  
 31   31  22  0.944  0.084       ?  
 32   32  24  0.946  0.091       ?  
 33   33  22  0.947  0.080  -0.586  
 34   34  20  0.944  0.085  -0.373  
 35   35  20  0.956  0.078  -0.639  
 36   36  20  0.955  0.087  -0.524  
 37   37  22  0.970  0.079  -0.606  
 38   38  22  0.955  0.085  -0.486  
 39   39  23  0.960  0.081  -0.484  
 40   40  20  0.932  0.098  -0.383  
 41   41  20  0.956  0.077  -0.486  
 42   42  23  0.913  0.099  -0.152  
 43   43  19  0.939  0.082       ?  
 44   44  22  0.962  0.082       ?  
 45   45  22  0.929  0.095       ?  
 46   46  24  0.950  0.079       ?  
 47   47  22  0.947  0.095  -0.286  
 48   48  20  0.968  0.075  -0.514  
 49   49  20  0.956  0.078  -0.639  
 50   50  20  0.954  0.070  -0.742  
 51   51  22  0.949  0.086  -0.466  
 52   52  22  0.941  0.080  -0.586  
 53   53  23  0.951  0.077  -0.558  
 54   54  20  0.926  0.076  -0.665  
 55   55  20  0.955  0.085  -0.373  
 56   56  23  0.967  0.086  -0.392  
 57   57  51  0.887  0.130       ?  
 58   58  23  0.835  0.120       ?  
 59   59  51  0.883  0.119       ?  
 60   60  23  0.927  0.088       ?  
 61   61   1  0.971  0.150       ?  
 62   62   1  0.916  0.124       ?  
 63   63   1  0.996  0.188       ?  
 64   64   1  0.962  0.430       ?  
 65   65   1  0.972  0.139       ?  
 66   66   1  0.854  0.158       ?  
 67   67   1  0.889  0.104       ?  
 68   68   1  0.937  0.237       ?  
 69   69   1  0.974  0.070       ?  
 70   70   1  0.942  0.153       ?  
 71   71   1  0.941  0.074       ?  
 72   72   1  0.968  0.094       ?  
 73   73   1  0.938  0.095       ?  
 74   74   1  0.984  0.072       ?  
 75   75   1  0.949  0.175       ?  
 76   76   1  0.946  0.084       ?  
 77   77   1  0.970  0.105       ?  
 78   78   1  0.974  0.099       ?  
 79   79   1  0.966  0.085       ?  
 80   80   1  0.936  0.104       ?  
 81   81   1  0.919  0.145       ?  
 82   82   1  0.948  0.101       ?  
 83   83   1  0.962  0.072       ?  
 84   84   1  0.913  0.316       ?  
 85   85   1  0.977  0.089       ?  
 86   86   1  0.681  0.527       ?  
 87   87   1  0.940  0.134       ?  
 88   88   1  0.899  0.094       ?  
 89   89   1  0.687  0.241       ?  
 90   90   1  0.664  0.332       ?  
 91   91   1  0.980  0.039       ?  
 92   92   1  0.721  0.183       ?  
 93   93   1  0.956  0.074       ?  
 94   94   1  0.900  0.150       ?  
 95   95   1  0.933  0.158       ?  
 96   96   1  0.988  0.141       ?  
 97   97   1  0.925  0.096       ?  
 98   98   1  0.852  0.117       ?  
 99   99   1  0.941  0.122       ?  
100  100   1  0.705  0.129       ?  
101  101   1  0.967  0.106       ?  
102  102   1  0.925  0.348       ?  
103  103   1  0.908  0.192       ?  
104  104   1  0.971  0.091       ?  
105  105   1  0.897  0.155       ?  
106  106   1  0.962  0.071       ?  
107  107   1  0.963  0.104       ?  
108  108   1  0.827  0.145       ?  
109  109   1  0.957  0.100       ?  
110  110   1  0.940  0.085       ?  
111  111   1  0.976  0.165       ?  
112  112   1  0.993  0.207       ?  
113  113   1  0.965  0.166       ?  
114  114   1  0.937  0.208       ?  
115  115   1  0.834  0.138       ?  
116  116   1  0.907  0.132       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
