data_2KY7

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2KY7
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2KY7
_pdbx_vrpt_summary.PDB_deposition_date         2010-05-17
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-05-01
_pdbx_vrpt_summary.report_creation_date        2024-04-21:17:31
_pdbx_vrpt_summary.attempted_validation_steps  mogul,buster-report,molprobity,validation-pack,coreclust,chemicalshiftanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3'"  
2  non-polymer  2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
_pdbx_vrpt_percentile_type.id    1
_pdbx_vrpt_percentile_type.type  all_atom_clashscore
#
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  94.40  158937  ?     ?     
2  2  1  82.71   12864  ?     ?     
#
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  2.42  1.58  226  347  
 2  1  1  B  B  2.55  1.59  226  347  
 3  2  1  A  A  3.98  3.52  226  347  
 4  2  1  B  B  4.29  3.65  226  347  
 5  3  1  A  A  3.94  3.31  226  347  
 6  3  1  B  B  4.13  3.00  226  347  
 7  4  1  A  A  4.02  3.07  226  347  
 8  4  1  B  B  4.05  3.27  226  347  
 9  5  1  A  A  3.80  3.03  226  347  
10  5  1  B  B  3.92  3.32  226  347  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore              1.12
_pdbx_vrpt_summary_geometry.clashscore_full_length  1.12
_pdbx_vrpt_summary_geometry.num_H_reduce            1325
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          2260
_pdbx_vrpt_summary_geometry.bonds_RMSZ              3.02
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         3470
_pdbx_vrpt_summary_geometry.angles_RMSZ             3.76
#
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_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A   1  DA   A   1  .  ?        ?     3     ?     ?     ?     ?     ?  
  2  1  1  A   2  DA   A   2  .  ?        ?     3     ?     ?     ?     ?     ?  
  3  1  1  A   3  DC   A   3  .  ?        ?     1     ?     ?     ?     ?     ?  
  4  1  1  A   4  DA   A   4  .  ?        ?     3     ?     ?     ?     ?     ?  
  5  1  1  A   5  DA   A   5  .  ?        ?     3     ?     ?     ?     ?     ?  
  6  1  1  A   6  DT   A   6  .  ?        ?     2     ?     ?     ?     ?     ?  
  7  1  1  A   7  DT   A   7  .  ?        ?     2     ?     ?     ?     ?     ?  
  8  1  1  A   8  DG   A   8  .  ?        ?     2     ?     ?     ?     ?     ?  
  9  1  1  A   9  DT   A   9  .  ?        ?     2     ?     ?     ?     ?     ?  
 10  1  1  A  10  DT   A  10  .  ?        ?     1     ?     1     ?     ?     ?  
 11  1  1  B   1  DA   B  11  .  ?        ?     3     ?     ?     ?     ?     ?  
 12  1  1  B   2  DA   B  12  .  ?        ?     3     ?     ?     ?     ?     ?  
 13  1  1  B   3  DC   B  13  .  ?        ?     3     ?     ?     ?     ?     ?  
 14  1  1  B   4  DA   B  14  .  ?        ?     3     ?     1     ?     ?     ?  
 15  1  1  B   5  DA   B  15  .  ?        ?     3     ?     ?     ?     ?     ?  
 16  1  1  B   6  DT   B  16  .  ?        ?     4     1     1     ?     ?     ?  
 17  1  1  B   7  DT   B  17  .  ?        ?     1     ?     ?     ?     ?     ?  
 18  1  1  B   8  DG   B  18  .  ?        ?     ?     ?     ?     ?     ?     ?  
 19  1  1  B   9  DT   B  19  .  ?        ?     2     ?     ?     ?     ?     ?  
 20  1  1  B  10  DT   B  20  .  ?        ?     1     ?     ?     ?     ?     ?  
 21  1  2  C   .  HY2  A  21  .  ?        ?     ?     1     ?     ?     5     1  
 22  2  1  A   1  DA   A   1  .  ?        1     7     ?     ?     ?     ?     ?  
 23  2  1  A   2  DA   A   2  .  ?        4     5     ?     ?     ?     ?     ?  
 24  2  1  A   3  DC   A   3  .  ?        1     5     ?     ?     ?     ?     ?  
 25  2  1  A   4  DA   A   4  .  ?        5     9     ?     ?     ?     ?     ?  
 26  2  1  A   5  DA   A   5  .  ?        4     4     ?     ?     ?     ?     ?  
 27  2  1  A   6  DT   A   6  .  ?        4     9     ?     ?     ?     ?     ?  
 28  2  1  A   7  DT   A   7  .  ?        2     8     ?     ?     ?     ?     ?  
 29  2  1  A   8  DG   A   8  .  ?        4     9     ?     ?     ?     ?     ?  
 30  2  1  A   9  DT   A   9  .  ?        6     6     ?     1     ?     ?     ?  
 31  2  1  A  10  DT   A  10  .  ?        3     6     ?     1     ?     ?     ?  
 32  2  1  B   1  DA   B  11  .  ?        1     9     ?     ?     ?     ?     ?  
 33  2  1  B   2  DA   B  12  .  ?        5    13     ?     1     ?     ?     ?  
 34  2  1  B   3  DC   B  13  .  ?        6     6     1     1     ?     ?     ?  
 35  2  1  B   4  DA   B  14  .  ?        6     4     1     ?     ?     ?     ?  
 36  2  1  B   5  DA   B  15  .  ?        3     9     ?     ?     ?     ?     ?  
 37  2  1  B   6  DT   B  16  .  ?        2     8     ?     1     ?     ?     ?  
 38  2  1  B   7  DT   B  17  .  ?        1     4     ?     1     ?     ?     ?  
 39  2  1  B   8  DG   B  18  .  ?        3    10     ?     1     ?     ?     ?  
 40  2  1  B   9  DT   B  19  .  ?        6     9     ?     ?     ?     ?     ?  
 41  2  1  B  10  DT   B  20  .  ?        4     7     ?     1     ?     ?     ?  
 42  2  2  C   .  HY2  A  21  .  ?        ?     ?     ?     ?     9    26     2  
 43  3  1  A   1  DA   A   1  .  ?        3     9     ?     ?     ?     ?     ?  
 44  3  1  A   2  DA   A   2  .  ?        5     1     ?     1     ?     ?     ?  
 45  3  1  A   3  DC   A   3  .  ?        4     5     ?     ?     ?     ?     ?  
 46  3  1  A   4  DA   A   4  .  ?        ?     8     ?     1     ?     ?     ?  
 47  3  1  A   5  DA   A   5  .  ?        6     8     ?     ?     ?     ?     ?  
 48  3  1  A   6  DT   A   6  .  ?        1     5     ?     1     ?     ?     ?  
 49  3  1  A   7  DT   A   7  .  ?        2     4     ?     1     ?     ?     ?  
 50  3  1  A   8  DG   A   8  .  ?        2    11     ?     1     ?     ?     ?  
 51  3  1  A   9  DT   A   9  .  ?        3     8     ?     ?     ?     ?     ?  
 52  3  1  A  10  DT   A  10  .  ?        3     5     ?     ?     ?     ?     ?  
 53  3  1  B   1  DA   B  11  .  ?        3     5     ?     1     ?     ?     ?  
 54  3  1  B   2  DA   B  12  .  ?        4     4     ?     ?     ?     ?     ?  
 55  3  1  B   3  DC   B  13  .  ?        3     6     ?     1     ?     ?     ?  
 56  3  1  B   4  DA   B  14  .  ?        2     5     ?     1     ?     ?     ?  
 57  3  1  B   5  DA   B  15  .  ?        2     7     1     1     ?     ?     ?  
 58  3  1  B   6  DT   B  16  .  ?        4     8     1     1     ?     ?     ?  
 59  3  1  B   7  DT   B  17  .  ?        1    10     ?     ?     ?     ?     ?  
 60  3  1  B   8  DG   B  18  .  ?        4    11     ?     ?     ?     ?     ?  
 61  3  1  B   9  DT   B  19  .  ?        ?     6     ?     ?     ?     ?     ?  
 62  3  1  B  10  DT   B  20  .  ?        1     8     ?     1     ?     ?     ?  
 63  3  2  C   .  HY2  A  21  .  ?        ?     ?     ?     ?    11    16     ?  
 64  4  1  A   1  DA   A   1  .  ?        2     8     ?     1     ?     ?     ?  
 65  4  1  A   2  DA   A   2  .  ?        2     8     ?     ?     ?     ?     ?  
 66  4  1  A   3  DC   A   3  .  ?        5     ?     ?     1     ?     ?     ?  
 67  4  1  A   4  DA   A   4  .  ?        2     9     ?     1     ?     ?     ?  
 68  4  1  A   5  DA   A   5  .  ?        1     8     1     ?     ?     ?     ?  
 69  4  1  A   6  DT   A   6  .  ?        1     6     1     ?     ?     ?     ?  
 70  4  1  A   7  DT   A   7  .  ?        1     4     ?     ?     ?     ?     ?  
 71  4  1  A   8  DG   A   8  .  ?        3     9     ?     1     ?     ?     ?  
 72  4  1  A   9  DT   A   9  .  ?        4    11     ?     ?     ?     ?     ?  
 73  4  1  A  10  DT   A  10  .  ?        4     5     ?     ?     ?     ?     ?  
 74  4  1  B   1  DA   B  11  .  ?        2    11     ?     1     ?     ?     ?  
 75  4  1  B   2  DA   B  12  .  ?        2     8     ?     ?     ?     ?     ?  
 76  4  1  B   3  DC   B  13  .  ?        5     8     ?     1     ?     ?     ?  
 77  4  1  B   4  DA   B  14  .  ?        5     8     ?     1     ?     ?     ?  
 78  4  1  B   5  DA   B  15  .  ?        1     4     ?     ?     ?     ?     ?  
 79  4  1  B   6  DT   B  16  .  ?        1     3     ?     1     ?     ?     ?  
 80  4  1  B   7  DT   B  17  .  ?        1     5     ?     ?     ?     ?     ?  
 81  4  1  B   8  DG   B  18  .  ?        4     8     ?     1     ?     ?     ?  
 82  4  1  B   9  DT   B  19  .  ?        3     7     ?     ?     ?     ?     ?  
 83  4  1  B  10  DT   B  20  .  ?        1     4     ?     ?     ?     ?     ?  
 84  4  2  C   .  HY2  A  21  .  ?        ?     ?     ?     ?     9    15     ?  
 85  5  1  A   1  DA   A   1  .  ?        3     2     ?     ?     ?     ?     ?  
 86  5  1  A   2  DA   A   2  .  ?        2     7     ?     ?     ?     ?     ?  
 87  5  1  A   3  DC   A   3  .  ?        ?     4     ?     ?     ?     ?     ?  
 88  5  1  A   4  DA   A   4  .  ?        5     6     ?     ?     ?     ?     ?  
 89  5  1  A   5  DA   A   5  .  ?        ?     6     ?     1     ?     ?     ?  
 90  5  1  A   6  DT   A   6  .  ?        1     6     ?     1     ?     ?     ?  
 91  5  1  A   7  DT   A   7  .  ?        3     8     ?     1     ?     ?     ?  
 92  5  1  A   8  DG   A   8  .  ?        2     2     ?     ?     ?     ?     ?  
 93  5  1  A   9  DT   A   9  .  ?        ?     8     ?     ?     ?     ?     ?  
 94  5  1  A  10  DT   A  10  .  ?        2     5     ?     ?     ?     ?     ?  
 95  5  1  B   1  DA   B  11  .  ?        2     5     ?     1     ?     ?     ?  
 96  5  1  B   2  DA   B  12  .  ?        2     9     ?     1     ?     ?     ?  
 97  5  1  B   3  DC   B  13  .  ?        5     6     ?     ?     ?     ?     ?  
 98  5  1  B   4  DA   B  14  .  ?        2     3     ?     ?     ?     ?     ?  
 99  5  1  B   5  DA   B  15  .  ?        1    13     ?     ?     ?     ?     ?  
100  5  1  B   6  DT   B  16  .  ?        2     6     ?     1     ?     ?     ?  
101  5  1  B   7  DT   B  17  .  ?        3     5     ?     ?     ?     ?     ?  
102  5  1  B   8  DG   B  18  .  ?        3     6     ?     1     ?     ?     ?  
103  5  1  B   9  DT   B  19  .  ?        4     8     ?     1     ?     ?     ?  
104  5  1  B  10  DT   B  20  .  ?        2     9     ?     ?     ?     ?     ?  
105  5  2  C   .  HY2  A  21  .  ?        ?     ?     ?     ?     8    14     3  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_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
  1    1  12  21  1.74  33  2.90  molprobity  
  2    2  11  24  1.61  37  2.43  molprobity  
  3    3  11  21  1.48  32  2.18  molprobity  
  4    4  11  24  1.59  37  2.71  molprobity  
  5    5  11  24  1.56  37  2.44  molprobity  
  6    6  12  22  1.45  34  2.45  molprobity  
  7    7  12  22  1.60  34  2.28  molprobity  
  8    8  10  25  1.60  39  2.27  molprobity  
  9    9  12  22  1.54  34  2.22  molprobity  
 10   10  13  21  1.65  30  2.14  molprobity  
 11   11  12  21  1.63  33  2.92  molprobity  
 12   12  11  24  1.68  37  2.78  molprobity  
 13   13  11  21  1.51  32  2.38  molprobity  
 14   14  11  24  1.46  37  2.70  molprobity  
 15   15  11  24  1.54  37  2.64  molprobity  
 16   16  12  22  1.62  34  2.71  molprobity  
 17   17  12  22  1.69  34  2.35  molprobity  
 18   18  11  25  1.60  39  1.95  molprobity  
 19   19  12  22  1.62  34  2.59  molprobity  
 20   20  13  21  1.56  30  2.36  molprobity  
 21   21  38  49  0.91  68  1.18  mogul       
 22   22  12  21  2.73  33  4.15  molprobity  
 23   23  11  24  3.85  37  3.12  molprobity  
 24   24  11  21  2.32  32  3.39  molprobity  
 25   25  11  24  4.10  37  4.57  molprobity  
 26   26   9  24  3.70  37  3.11  molprobity  
 27   27  12  22  3.74  34  4.01  molprobity  
 28   28  12  22  2.88  34  4.06  molprobity  
 29   29  10  25  3.49  39  4.28  molprobity  
 30   30  12  22  4.40  34  3.55  molprobity  
 31   31  13  21  3.27  30  5.26  molprobity  
 32   32  12  21  2.89  33  4.51  molprobity  
 33   33  11  24  4.60  37  5.80  molprobity  
 34   34   9  21  4.27  32  3.20  molprobity  
 35   35   9  24  3.71  37  3.25  molprobity  
 36   36  11  24  3.53  37  3.83  molprobity  
 37   37  12  22  3.18  34  5.33  molprobity  
 38   38  12  22  2.96  34  3.45  molprobity  
 39   39  11  25  3.52  39  4.02  molprobity  
 40   40  12  22  3.92  34  4.38  molprobity  
 41   41  12  21  3.51  30  4.32  molprobity  
 42   42  38  49  1.65  68  2.18  mogul       
 43   43  12  21  4.47  33  4.32  molprobity  
 44   44  11  24  3.43  37  2.78  molprobity  
 45   45  11  21  3.59  32  4.65  molprobity  
 46   46  11  24  2.46  37  3.72  molprobity  
 47   47  11  24  3.77  37  4.06  molprobity  
 48   48  12  22  2.60  34  3.42  molprobity  
 49   49  12  22  3.17  34  3.14  molprobity  
 50   50  10  25  3.09  39  4.92  molprobity  
 51   51  12  22  3.19  34  4.55  molprobity  
 52   52  13  21  2.94  30  3.05  molprobity  
 53   53  12  21  3.15  33  4.55  molprobity  
 54   54  11  24  3.52  37  3.89  molprobity  
 55   55  11  21  2.81  32  3.56  molprobity  
 56   56  11  24  2.73  37  3.32  molprobity  
 57   57  11  24  3.01  37  3.68  molprobity  
 58   58  12  22  3.31  34  4.37  molprobity  
 59   59  12  22  2.42  34  4.86  molprobity  
 60   60  11  25  3.66  39  4.62  molprobity  
 61   61  12  22  2.26  34  3.97  molprobity  
 62   62  13  21  2.63  30  4.24  molprobity  
 63   63  38  49  1.60  68  1.83  mogul       
 64   64  12  21  3.24  33  3.73  molprobity  
 65   65  11  24  2.74  37  3.68  molprobity  
 66   66   9  21  3.59  32  2.44  molprobity  
 67   67  11  24  2.94  37  4.29  molprobity  
 68   68  11  24  2.90  37  4.19  molprobity  
 69   69  12  22  2.55  34  3.83  molprobity  
 70   70  12  22  2.52  34  3.63  molprobity  
 71   71  10  25  3.40  39  4.75  molprobity  
 72   72  12  22  3.16  34  5.44  molprobity  
 73   73  13  21  3.54  30  3.05  molprobity  
 74   74  10  21  3.13  33  5.47  molprobity  
 75   75   9  24  3.83  37  4.66  molprobity  
 76   76   9  21  3.88  32  4.31  molprobity  
 77   77  11  24  3.87  37  4.64  molprobity  
 78   78  11  24  2.28  37  2.91  molprobity  
 79   79  11  22  2.75  34  3.24  molprobity  
 80   80  12  22  3.36  34  2.92  molprobity  
 81   81  11  25  3.13  39  4.30  molprobity  
 82   82  12  22  2.88  34  3.98  molprobity  
 83   83  13  21  3.15  30  3.09  molprobity  
 84   84  38  49  1.49  68  1.68  mogul       
 85   85  12  21  3.29  33  2.93  molprobity  
 86   86  11  24  2.69  37  4.50  molprobity  
 87   87  11  21  2.10  32  3.34  molprobity  
 88   88  11  24  4.29  37  3.46  molprobity  
 89   89  11  24  2.46  37  4.57  molprobity  
 90   90  12  22  2.76  34  3.33  molprobity  
 91   91  12  22  3.18  34  4.37  molprobity  
 92   92  10  25  3.57  39  2.77  molprobity  
 93   93  12  22  2.54  34  4.22  molprobity  
 94   94  13  21  2.60  30  3.93  molprobity  
 95   95  12  21  2.78  33  3.60  molprobity  
 96   96  11  24  4.13  37  4.76  molprobity  
 97   97   9  21  3.76  32  3.50  molprobity  
 98   98  11  24  3.12  37  2.80  molprobity  
 99   99  11  24  2.35  37  4.74  molprobity  
100  100  12  22  3.14  34  3.13  molprobity  
101  101  12  22  3.34  34  3.93  molprobity  
102  102   9  25  3.76  39  3.60  molprobity  
103  103  12  22  3.31  34  3.84  molprobity  
104  104  13  21  3.12  30  4.77  molprobity  
105  105  38  49  1.65  68  1.72  mogul       
#
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  16  "H1'"   1  0.44  1.90  
2  21  H17A    1  0.44  1.90  
3  34  "H2''"  2  0.40  2.51  
4  35  C8      2  0.40  2.51  
5  57  C5      3  0.41  3.09  
6  58  C4      3  0.41  3.09  
7  68  C2      4  0.46  3.03  
8  69  C2      4  0.46  3.03  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
 1   10  sidechain  0.07  
 2   14  sidechain  0.07  
 3   16  sidechain  0.07  
 4   30  sidechain  0.09  
 5   31  sidechain  0.06  
 6   33  sidechain  0.08  
 7   34  sidechain  0.12  
 8   37  sidechain  0.09  
 9   38  sidechain  0.10  
10   39  sidechain  0.06  
11   41  sidechain  0.10  
12   44  sidechain  0.08  
13   46  sidechain  0.05  
14   48  sidechain  0.07  
15   49  sidechain  0.09  
16   50  sidechain  0.07  
17   53  sidechain  0.11  
18   55  sidechain  0.09  
19   56  sidechain  0.10  
20   57  sidechain  0.08  
21   58  sidechain  0.10  
22   62  sidechain  0.07  
23   64  sidechain  0.07  
24   66  sidechain  0.08  
25   67  sidechain  0.07  
26   71  sidechain  0.08  
27   74  sidechain  0.11  
28   76  sidechain  0.08  
29   77  sidechain  0.12  
30   79  sidechain  0.14  
31   81  sidechain  0.17  
32   89  sidechain  0.08  
33   90  sidechain  0.10  
34   91  sidechain  0.07  
35   95  sidechain  0.14  
36   96  sidechain  0.10  
37  100  sidechain  0.13  
38  102  sidechain  0.11  
39  103  sidechain  0.07  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
_pdbx_vrpt_instance_intra_bond_outliers.link
  1   22  "C2'"  "C1'"  1.577  1.519  0.010    5.81  ?     
  2   23  "C4'"  "O4'"  1.382  1.446  0.010   -6.36  ?     
  3   23  N3     C4     1.381  1.344  0.006    6.16  ?     
  4   23  N7     C5     1.454  1.388  0.006   11.05  ?     
  5   23  N9     C4     1.408  1.374  0.006    5.60  ?     
  6   24  P      "O5'"  1.647  1.593  0.010    5.42  ?     
  7   25  N3     C4     1.409  1.344  0.006   10.76  ?     
  8   25  N7     C5     1.430  1.388  0.006    6.94  ?     
  9   25  N9     C4     1.413  1.374  0.006    6.57  ?     
 10   25  N9     C8     1.441  1.373  0.008    8.47  ?     
 11   25  P      "O5'"  1.530  1.593  0.010   -6.35  ?     
 12   26  "C4'"  "C3'"  1.443  1.521  0.010   -7.79  ?     
 13   26  C6     N1     1.279  1.351  0.007  -10.33  ?     
 14   26  C6     N6     1.289  1.335  0.008   -5.73  ?     
 15   26  N3     C4     1.383  1.344  0.006    6.51  ?     
 16   27  "C1'"  N1     1.385  1.468  0.014   -5.91  ?     
 17   27  "C2'"  "C1'"  1.573  1.519  0.010    5.45  ?     
 18   27  "C4'"  "O4'"  1.378  1.446  0.010   -6.85  ?     
 19   27  C5     C6     1.388  1.339  0.007    6.97  ?     
 20   28  C4     C5     1.389  1.445  0.009   -6.24  ?     
 21   28  N1     C2     1.417  1.376  0.008    5.12  ?     
 22   29  "C4'"  "O4'"  1.382  1.446  0.010   -6.37  ?     
 23   29  C8     N7     1.262  1.305  0.006   -7.22  ?     
 24   29  N3     C4     1.385  1.350  0.007    5.06  ?     
 25   29  N7     C5     1.434  1.388  0.006    7.67  ?     
 26   30  "O3'"  P      1.495  1.607  0.012   -9.35  Y     
 27   30  C2     O2     1.272  1.220  0.008    6.50  ?     
 28   30  "C4'"  "C3'"  1.583  1.529  0.010    5.38  ?     
 29   30  C5     C6     1.388  1.339  0.007    6.97  ?     
 30   30  C5     C7     1.537  1.496  0.006    6.80  ?     
 31   30  "O4'"  "C1'"  1.299  1.418  0.012   -9.90  ?     
 32   31  C2     O2     1.263  1.220  0.008    5.43  ?     
 33   31  "C4'"  "C3'"  1.602  1.529  0.010    7.33  ?     
 34   31  "C4'"  "O4'"  1.393  1.446  0.010   -5.32  ?     
 35   32  C2     N3     1.378  1.331  0.009    5.24  ?     
 36   33  "O3'"  P      1.535  1.607  0.012   -6.04  Y     
 37   33  C5     C4     1.346  1.383  0.007   -5.29  ?     
 38   33  C5     C6     1.462  1.406  0.009    6.28  ?     
 39   33  N3     C4     1.436  1.344  0.006   15.26  ?     
 40   33  N7     C5     1.436  1.388  0.006    8.06  ?     
 41   34  C2     N3     1.301  1.353  0.008   -6.46  ?     
 42   34  C4     C5     1.376  1.425  0.008   -6.15  ?     
 43   34  C4     N4     1.282  1.335  0.009   -5.83  ?     
 44   34  "C4'"  "O4'"  1.336  1.446  0.010  -10.95  ?     
 45   34  N1     C6     1.408  1.367  0.006    6.76  ?     
 46   34  P      "O5'"  1.658  1.593  0.010    6.48  ?     
 47   35  "C2'"  "C1'"  1.579  1.519  0.010    6.05  ?     
 48   35  C5     C4     1.346  1.383  0.007   -5.22  ?     
 49   35  C6     N1     1.310  1.351  0.007   -5.82  ?     
 50   35  C6     N6     1.274  1.335  0.008   -7.64  ?     
 51   35  N7     C5     1.438  1.388  0.006    8.41  ?     
 52   35  N9     C4     1.410  1.374  0.006    5.99  ?     
 53   36  "C5'"  "C4'"  1.567  1.509  0.011    5.26  ?     
 54   36  C8     N7     1.357  1.311  0.007    6.54  ?     
 55   36  N7     C5     1.452  1.388  0.006   10.64  ?     
 56   37  "C4'"  "C3'"  1.585  1.529  0.010    5.56  ?     
 57   37  C5     C7     1.549  1.496  0.006    8.78  ?     
 58   38  "C5'"  "C4'"  1.565  1.509  0.011    5.07  ?     
 59   39  "C4'"  "O4'"  1.392  1.446  0.010   -5.43  ?     
 60   39  C6     N1     1.319  1.391  0.007  -10.31  ?     
 61   39  N1     C2     1.315  1.373  0.008   -7.23  ?     
 62   40  C2     O2     1.164  1.220  0.008   -7.04  ?     
 63   40  C4     C5     1.490  1.445  0.009    5.05  ?     
 64   40  "C4'"  "O4'"  1.379  1.446  0.010   -6.70  ?     
 65   40  C5     C7     1.543  1.496  0.006    7.77  ?     
 66   40  N3     C4     1.434  1.382  0.008    6.51  ?     
 67   40  P      "O5'"  1.533  1.593  0.010   -5.98  ?     
 68   41  C2     N3     1.317  1.373  0.008   -7.02  ?     
 69   41  C4     C5     1.491  1.445  0.009    5.12  ?     
 70   41  N1     C2     1.423  1.376  0.008    5.91  ?     
 71   41  P      "O5'"  1.538  1.593  0.010   -5.52  ?     
 72   43  "C3'"  "O3'"  1.361  1.435  0.013   -5.69  ?     
 73   43  N3     C4     1.419  1.344  0.006   12.48  ?     
 74   43  N9     C4     1.329  1.374  0.006   -7.52  ?     
 75   44  "C4'"  "C3'"  1.581  1.529  0.010    5.21  ?     
 76   44  C5     C4     1.345  1.383  0.007   -5.37  ?     
 77   44  "C5'"  "C4'"  1.435  1.509  0.011   -6.74  ?     
 78   44  N3     C4     1.383  1.344  0.006    6.50  ?     
 79   44  N9     C8     1.326  1.373  0.008   -5.87  ?     
 80   45  C2     N3     1.405  1.353  0.008    6.55  ?     
 81   45  C2     O2     1.177  1.240  0.009   -6.96  ?     
 82   45  "C3'"  "C2'"  1.605  1.518  0.012    7.24  ?     
 83   45  N1     C6     1.399  1.367  0.006    5.30  ?     
 84   47  "C2'"  "C1'"  1.588  1.519  0.010    6.88  ?     
 85   47  "C4'"  "O4'"  1.393  1.446  0.010   -5.35  ?     
 86   47  C5     C6     1.464  1.406  0.009    6.42  ?     
 87   47  N7     C5     1.434  1.388  0.006    7.69  ?     
 88   47  N9     C8     1.422  1.373  0.008    6.12  ?     
 89   47  P      "O5'"  1.651  1.593  0.010    5.78  ?     
 90   48  C2     O2     1.263  1.220  0.008    5.42  ?     
 91   49  C5     C7     1.538  1.496  0.006    6.94  ?     
 92   49  N1     C2     1.427  1.376  0.008    6.36  ?     
 93   50  N1     C2     1.445  1.373  0.008    8.97  ?     
 94   50  N3     C4     1.386  1.350  0.007    5.17  ?     
 95   51  C5     C6     1.379  1.339  0.007    5.74  ?     
 96   51  C5     C7     1.535  1.496  0.006    6.44  ?     
 97   51  N1     C2     1.418  1.376  0.008    5.28  ?     
 98   52  C5     C6     1.389  1.339  0.007    7.20  ?     
 99   52  C5     C7     1.530  1.496  0.006    5.62  ?     
100   52  N1     C2     1.419  1.376  0.008    5.33  ?     
101   53  "C3'"  "C2'"  1.594  1.518  0.012    6.33  ?     
102   53  "C4'"  "C3'"  1.590  1.529  0.010    6.09  ?     
103   53  C6     N1     1.388  1.351  0.007    5.32  ?     
104   54  "C4'"  "O4'"  1.381  1.446  0.010   -6.54  ?     
105   54  C5     C4     1.336  1.383  0.007   -6.78  ?     
106   54  N7     C5     1.434  1.388  0.006    7.71  ?     
107   54  N9     C4     1.408  1.374  0.006    5.65  ?     
108   55  C2     N3     1.312  1.353  0.008   -5.18  ?     
109   55  "C4'"  "O4'"  1.387  1.446  0.010   -5.92  ?     
110   55  N3     C4     1.298  1.335  0.007   -5.26  ?     
111   56  N7     C5     1.428  1.388  0.006    6.65  ?     
112   56  P      "O5'"  1.541  1.593  0.010   -5.18  ?     
113   57  N9     C4     1.425  1.374  0.006    8.47  ?     
114   57  P      "O5'"  1.533  1.593  0.010   -6.01  ?     
115   58  C2     O2     1.262  1.220  0.008    5.22  ?     
116   58  C5     C6     1.376  1.339  0.007    5.27  ?     
117   58  C5     C7     1.543  1.496  0.006    7.89  ?     
118   58  N1     C2     1.417  1.376  0.008    5.12  ?     
119   59  C2     O2     1.261  1.220  0.008    5.15  ?     
120   60  "C4'"  "C3'"  1.608  1.529  0.010    7.87  ?     
121   60  "C5'"  "C4'"  1.571  1.509  0.011    5.68  ?     
122   60  C6     N1     1.328  1.391  0.007   -9.02  ?     
123   60  N3     C4     1.389  1.350  0.007    5.50  ?     
124   62  C4     C5     1.498  1.445  0.009    5.88  ?     
125   64  C2     N3     1.262  1.331  0.009   -7.62  ?     
126   64  "C4'"  "O4'"  1.387  1.446  0.010   -5.95  ?     
127   65  N9     C4     1.409  1.374  0.006    5.79  ?     
128   65  "O4'"  "C1'"  1.478  1.418  0.012    5.02  ?     
129   66  "O3'"  P      1.530  1.607  0.012   -6.42  Y     
130   66  "C2'"  "C1'"  1.577  1.519  0.010    5.80  ?     
131   66  C4     N4     1.272  1.335  0.009   -7.02  ?     
132   66  C5     C6     1.388  1.339  0.008    6.08  ?     
133   66  N1     C6     1.321  1.367  0.006   -7.61  ?     
134   67  C5     C4     1.347  1.383  0.007   -5.09  ?     
135   67  C6     N6     1.294  1.335  0.008   -5.12  ?     
136   68  "C2'"  "C1'"  1.583  1.519  0.010    6.35  ?     
137   69  N1     C2     1.419  1.376  0.008    5.41  ?     
138   70  "C4'"  "C3'"  1.590  1.529  0.010    6.10  ?     
139   71  "C3'"  "O3'"  1.361  1.435  0.013   -5.70  ?     
140   71  "C4'"  "C3'"  1.585  1.529  0.010    5.57  ?     
141   71  "C5'"  "C4'"  1.596  1.509  0.011    7.91  ?     
142   72  "C4'"  "C3'"  1.586  1.529  0.010    5.74  ?     
143   72  "C4'"  "O4'"  1.373  1.446  0.010   -7.29  ?     
144   72  C5     C7     1.536  1.496  0.006    6.63  ?     
145   72  N3     C4     1.433  1.382  0.008    6.39  ?     
146   73  C2     O2     1.261  1.220  0.008    5.12  ?     
147   73  "C4'"  "O4'"  1.394  1.446  0.010   -5.20  ?     
148   73  "C5'"  "C4'"  1.581  1.509  0.011    6.57  ?     
149   73  C5     C6     1.399  1.339  0.007    8.64  ?     
150   74  C6     N6     1.288  1.335  0.008   -5.89  ?     
151   74  N7     C5     1.437  1.388  0.006    8.16  ?     
152   75  C6     N6     1.245  1.335  0.008  -11.27  ?     
153   75  N3     C4     1.407  1.344  0.006   10.53  ?     
154   76  "O3'"  P      1.521  1.607  0.012   -7.20  Y     
155   76  C4     N4     1.284  1.335  0.009   -5.63  ?     
156   76  "C4'"  "O4'"  1.393  1.446  0.010   -5.30  ?     
157   76  "C5'"  "C4'"  1.613  1.509  0.011    9.48  ?     
158   76  C5     C6     1.388  1.339  0.008    6.15  ?     
159   77  "C2'"  "C1'"  1.604  1.519  0.010    8.54  ?     
160   77  N3     C4     1.379  1.344  0.006    5.83  ?     
161   77  N7     C5     1.452  1.388  0.006   10.71  ?     
162   77  N9     C4     1.410  1.374  0.006    5.99  ?     
163   77  P      "O5'"  1.534  1.593  0.010   -5.88  ?     
164   78  N3     C4     1.385  1.344  0.006    6.86  ?     
165   79  N3     C4     1.329  1.382  0.008   -6.59  ?     
166   80  C5     C7     1.568  1.496  0.006   12.08  ?     
167   81  C2     N3     1.377  1.323  0.008    6.72  ?     
168   81  C5     C4     1.342  1.379  0.007   -5.30  ?     
169   81  C8     N7     1.342  1.305  0.006    6.21  ?     
170   81  N1     C2     1.326  1.373  0.008   -5.87  ?     
171   82  "C2'"  "C1'"  1.460  1.518  0.010   -5.78  ?     
172   82  C5     C7     1.530  1.496  0.006    5.75  ?     
173   82  N1     C2     1.427  1.376  0.008    6.38  ?     
174   83  C5     C7     1.566  1.496  0.006   11.69  ?     
175   85  "C4'"  "C3'"  1.579  1.529  0.010    5.04  ?     
176   85  C8     N7     1.260  1.311  0.007   -7.24  ?     
177   85  N9     C8     1.330  1.373  0.008   -5.34  ?     
178   86  "C5'"  "C4'"  1.567  1.509  0.011    5.25  ?     
179   86  N7     C5     1.419  1.388  0.006    5.20  ?     
180   88  "C4'"  "C3'"  1.584  1.529  0.010    5.47  ?     
181   88  C8     N7     1.356  1.311  0.007    6.39  ?     
182   88  N3     C4     1.426  1.344  0.006   13.69  ?     
183   88  N7     C5     1.353  1.388  0.006   -5.88  ?     
184   88  N9     C8     1.429  1.373  0.008    7.00  ?     
185   90  C5     C7     1.549  1.496  0.006    8.77  ?     
186   91  "C3'"  "O3'"  1.370  1.435  0.013   -5.01  ?     
187   91  "O4'"  "C1'"  1.332  1.418  0.012   -7.13  ?     
188   91  P      "O5'"  1.526  1.593  0.010   -6.66  ?     
189   92  "C5'"  "C4'"  1.613  1.509  0.011    9.43  ?     
190   92  C6     N1     1.351  1.391  0.007   -5.69  ?     
191   94  N1     C2     1.423  1.376  0.008    5.87  ?     
192   94  "O4'"  "C1'"  1.357  1.418  0.012   -5.07  ?     
193   95  C6     N6     1.294  1.335  0.008   -5.09  ?     
194   95  N9     C4     1.405  1.374  0.006    5.25  ?     
195   96  N3     C4     1.431  1.344  0.006   14.48  ?     
196   96  N7     C5     1.433  1.388  0.006    7.48  ?     
197   97  "O3'"  P      1.540  1.607  0.012   -5.62  Y     
198   97  C4     N4     1.278  1.335  0.009   -6.30  ?     
199   97  "C4'"  "O4'"  1.368  1.446  0.010   -7.75  ?     
200   97  N3     C4     1.294  1.335  0.007   -5.84  ?     
201   97  P      "O5'"  1.666  1.593  0.010    7.30  ?     
202   98  C6     N1     1.315  1.351  0.007   -5.11  ?     
203   98  N9     C4     1.327  1.374  0.006   -7.80  ?     
204   99  N1     C2     1.281  1.339  0.009   -6.49  ?     
205  100  "C5'"  "C4'"  1.593  1.509  0.011    7.68  ?     
206  100  P      "O5'"  1.523  1.593  0.010   -7.00  ?     
207  101  "C3'"  "C2'"  1.586  1.518  0.012    5.67  ?     
208  101  C4     C5     1.507  1.445  0.009    6.93  ?     
209  101  N1     C2     1.450  1.376  0.008    9.24  ?     
210  102  C2     N2     1.277  1.341  0.010   -6.44  ?     
211  102  C6     N1     1.320  1.391  0.007  -10.19  ?     
212  102  N1     C2     1.332  1.373  0.008   -5.13  ?     
213  103  "C2'"  "C1'"  1.462  1.518  0.010   -5.63  ?     
214  103  C5     C7     1.536  1.496  0.006    6.63  ?     
215  103  N1     C2     1.440  1.376  0.008    7.96  ?     
216  103  N1     C6     1.330  1.378  0.007   -6.80  ?     
217  104  C4     O4     1.183  1.228  0.009   -5.02  ?     
218  104  "C5'"  "C4'"  1.601  1.509  0.011    8.39  ?     
#
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
_pdbx_vrpt_instance_intra_angle_outliers.link
  1    1  C4     C5     C6     113.449  117.000  0.500   -7.10  ?     
  2    1  C5     C6     N1     121.438  117.700  0.500    7.47  ?     
  3    1  N1     C6     N6     113.312  118.600  0.600   -8.81  ?     
  4    2  C4     C5     C6     114.040  117.000  0.500   -5.92  ?     
  5    2  C5     C6     N1     121.017  117.700  0.500    6.63  ?     
  6    2  N1     C6     N6     113.925  118.600  0.600   -7.79  ?     
  7    3  N3     C2     O2     117.609  121.900  0.700   -6.13  ?     
  8    4  C4     C5     C6     113.406  117.000  0.500   -7.19  ?     
  9    4  C5     C6     N1     121.528  117.700  0.500    7.66  ?     
 10    4  N1     C6     N6     113.173  118.600  0.600   -9.04  ?     
 11    5  C4     C5     C6     113.935  117.000  0.500   -6.13  ?     
 12    5  C5     C6     N1     121.533  117.700  0.500    7.67  ?     
 13    5  N1     C6     N6     114.212  118.600  0.600   -7.31  ?     
 14    6  C6     C5     C7     119.126  122.900  0.600   -6.29  ?     
 15    6  N3     C2     O2     119.050  122.300  0.600   -5.42  ?     
 16    7  C6     C5     C7     119.467  122.900  0.600   -5.72  ?     
 17    7  N3     C2     O2     119.220  122.300  0.600   -5.13  ?     
 18    8  C2     N3     C4     114.762  111.900  0.500    5.72  ?     
 19    8  N3     C2     N2     123.483  119.900  0.700    5.12  ?     
 20    9  C6     C5     C7     119.499  122.900  0.600   -5.67  ?     
 21    9  N3     C2     O2     119.287  122.300  0.600   -5.02  ?     
 22   10  C6     C5     C7     119.463  122.900  0.600   -5.73  ?     
 23   11  C4     C5     C6     113.433  117.000  0.500   -7.13  ?     
 24   11  C5     C6     N1     121.435  117.700  0.500    7.47  ?     
 25   11  N1     C6     N6     112.963  118.600  0.600   -9.39  ?     
 26   12  C4     C5     C6     113.300  117.000  0.500   -7.40  ?     
 27   12  C5     C6     N1     121.561  117.700  0.500    7.72  ?     
 28   12  N1     C6     N6     113.223  118.600  0.600   -8.96  ?     
 29   13  N1     C2     O2     122.250  118.900  0.600    5.58  ?     
 30   13  N3     C2     O2     116.956  121.900  0.700   -7.06  ?     
 31   13  "O4'"  "C4'"  "C3'"  109.179  106.000  0.600    5.30  ?     
 32   14  C4     C5     C6     113.828  117.000  0.500   -6.34  ?     
 33   14  C5     C6     N1     120.799  117.700  0.500    6.20  ?     
 34   14  N1     C6     N6     113.268  118.600  0.600   -8.89  ?     
 35   15  C4     C5     C6     113.610  117.000  0.500   -6.78  ?     
 36   15  C5     C6     N1     121.393  117.700  0.500    7.39  ?     
 37   15  N1     C6     N6     113.500  118.600  0.600   -8.50  ?     
 38   16  C6     C5     C7     119.331  122.900  0.600   -5.95  ?     
 39   16  N1     C2     N3     117.626  114.600  0.600    5.04  ?     
 40   16  N3     C2     O2     118.150  122.300  0.600   -6.92  ?     
 41   16  "O4'"  "C1'"  N1     112.325  108.000  0.700    6.18  ?     
 42   17  N3     C2     O2     118.605  122.300  0.600   -6.16  ?     
 43   19  C6     C5     C7     118.888  122.900  0.600   -6.69  ?     
 44   19  "O4'"  "C1'"  N1     111.716  108.000  0.700    5.31  ?     
 45   20  C6     C5     C7     119.373  122.900  0.600   -5.88  ?     
 46   22  P      "O3'"  "C3'"  126.579  119.700  1.200    5.73  Y     
 47   22  "C1'"  "O4'"  "C4'"  101.223  110.100  1.000   -8.88  ?     
 48   22  "C3'"  "C2'"  "C1'"   93.264  102.500  1.200   -7.70  ?     
 49   22  C4     C5     C6     112.599  117.000  0.500   -8.80  ?     
 50   22  C5     C6     N1     121.661  117.700  0.500    7.92  ?     
 51   22  N3     C4     N9     123.383  127.400  0.800   -5.02  ?     
 52   22  "O4'"  "C4'"  "C3'"  111.413  106.000  0.600    9.02  ?     
 53   23  C4     C5     C6     113.809  117.000  0.500   -6.38  ?     
 54   23  C4     C5     N7     113.365  110.700  0.500    5.33  ?     
 55   23  C5     C6     N1     120.910  117.700  0.500    6.42  ?     
 56   23  C5     N7     C8     100.635  103.900  0.500   -6.53  ?     
 57   23  "O4'"  "C1'"  N9     112.510  108.000  0.700    6.44  ?     
 58   24  "C1'"  "O4'"  "C4'"  103.839  110.100  1.000   -6.26  ?     
 59   24  N1     C2     O2     122.836  118.900  0.600    6.56  ?     
 60   24  N3     C2     O2     117.048  121.900  0.700   -6.93  ?     
 61   24  N3     C4     N4     113.738  118.000  0.700   -6.09  ?     
 62   24  "O4'"  "C1'"  N1     114.200  108.000  0.700    8.86  ?     
 63   25  P      "O3'"  "C3'"  127.164  119.700  1.200    6.22  Y     
 64   25  "C1'"  "O4'"  "C4'"  104.636  110.100  1.000   -5.46  ?     
 65   25  C2     N3     C4     114.212  110.600  0.500    7.22  ?     
 66   25  C4     C5     C6     112.123  117.000  0.500   -9.75  ?     
 67   25  C5     C6     N1     123.992  117.700  0.500   12.58  ?     
 68   25  N1     C6     N6     111.973  118.600  0.600  -11.05  ?     
 69   25  N7     C8     N9     110.041  113.800  0.500   -7.52  ?     
 70   25  N9     C4     C5     103.787  105.800  0.400   -5.03  ?     
 71   25  "O4'"  "C1'"  N9     113.608  108.000  0.700    8.01  ?     
 72   26  C4     C5     C6     113.209  117.000  0.500   -7.58  ?     
 73   26  C5     C6     N1     122.466  117.700  0.500    9.53  ?     
 74   26  N1     C2     N3     126.330  129.300  0.500   -5.94  ?     
 75   26  N1     C6     N6     113.757  118.600  0.600   -8.07  ?     
 76   27  C4     C5     C6     121.967  118.000  0.600    6.61  ?     
 77   27  C4     C5     C7     114.863  119.000  0.600   -6.89  ?     
 78   27  C5     C4     O4     130.360  124.900  0.700    7.80  ?     
 79   27  C6     N1     C2     117.331  121.300  0.500   -7.94  ?     
 80   27  N1     C2     N3     120.504  114.600  0.600    9.84  ?     
 81   27  N3     C2     O2     118.742  122.300  0.600   -5.93  ?     
 82   27  N3     C4     C5     112.088  115.200  0.600   -5.19  ?     
 83   27  "O4'"  "C1'"  "C2'"  100.305  105.900  0.800   -6.99  ?     
 84   27  "O4'"  "C1'"  N1     112.432  108.000  0.700    6.33  ?     
 85   28  "C1'"  "O4'"  "C4'"  102.771  110.100  1.000   -7.33  ?     
 86   28  C4     C5     C6     122.504  118.000  0.600    7.51  ?     
 87   28  C5     C4     O4     131.744  124.900  0.700    9.78  ?     
 88   28  C6     C5     C7     118.856  122.900  0.600   -6.74  ?     
 89   28  C6     N1     C2     118.742  121.300  0.500   -5.12  ?     
 90   28  N3     C2     O2     118.968  122.300  0.600   -5.55  ?     
 91   28  N3     C4     O4     114.420  119.900  0.600   -9.13  ?     
 92   28  "O4'"  "C4'"  "C3'"  110.257  106.000  0.600    7.09  ?     
 93   29  C2     N3     C4     115.750  111.900  0.500    7.70  ?     
 94   29  C5     N7     C8     100.316  104.300  0.500   -7.97  ?     
 95   29  C8     N9     C4     103.757  106.400  0.400   -6.61  ?     
 96   29  N1     C2     N3     120.151  123.900  0.600   -6.25  ?     
 97   29  N1     C6     O6     115.911  119.900  0.600   -6.65  ?     
 98   29  N3     C2     N2     125.451  119.900  0.700    7.93  ?     
 99   29  N7     C8     N9     119.264  113.100  0.500   12.33  ?     
100   29  "O4'"  "C1'"  N9     111.783  108.000  0.700    5.40  ?     
101   29  "O4'"  "C4'"  "C3'"  110.999  106.000  0.600    8.33  ?     
102   30  "C4'"  "C3'"  "C2'"   97.350  103.100  0.900   -6.39  ?     
103   30  C4     C5     C6     114.301  118.000  0.600   -6.17  ?     
104   30  C4     C5     C7     126.327  119.000  0.600   12.21  ?     
105   30  C6     C5     C7     118.908  122.900  0.600   -6.65  ?     
106   30  N1     C2     O2     127.310  123.100  0.800    5.26  ?     
107   30  "O4'"  "C1'"  "C2'"  101.479  105.900  0.800   -5.53  ?     
108   31  C2     N3     C4     119.829  127.200  0.600  -12.29  ?     
109   31  C4     C5     C7     123.177  119.000  0.600    6.96  ?     
110   31  N1     C2     N3     119.446  114.600  0.600    8.08  ?     
111   31  N3     C2     O2     117.732  122.300  0.600   -7.61  ?     
112   31  N3     C4     C5     121.294  115.200  0.600   10.16  ?     
113   31  N3     C4     O4     110.860  119.900  0.600  -15.07  ?     
114   32  C4     C5     C6     114.335  117.000  0.500   -5.33  ?     
115   32  C4     C5     N7     114.208  110.700  0.500    7.02  ?     
116   32  C5     C6     N1     122.294  117.700  0.500    9.19  ?     
117   32  C5     N7     C8     100.275  103.900  0.500   -7.25  ?     
118   32  C6     N1     C2     114.906  118.600  0.600   -6.16  ?     
119   32  N1     C6     N6     110.090  118.600  0.600  -14.18  ?     
120   32  N9     C4     C5     103.675  105.800  0.400   -5.31  ?     
121   32  "O4'"  "C1'"  "C2'"  111.629  105.900  0.800    7.16  ?     
122   32  "O4'"  "C1'"  N9     102.866  108.000  0.700   -7.33  ?     
123   33  C2     N3     C4     113.651  110.600  0.500    6.10  ?     
124   33  C4     C5     C6     109.620  117.000  0.500  -14.76  ?     
125   33  C5     C6     N1     127.188  117.700  0.500   18.98  ?     
126   33  C5     C6     N6     119.137  123.700  0.800   -5.70  ?     
127   33  C5     N7     C8      98.988  103.900  0.500   -9.82  ?     
128   33  C6     C5     N7     137.173  132.300  0.700    6.96  ?     
129   33  C6     N1     C2     115.377  118.600  0.600   -5.37  ?     
130   33  C8     N9     C4     102.304  105.800  0.400   -8.74  ?     
131   33  N1     C2     N3     126.791  129.300  0.500   -5.02  ?     
132   33  N1     C6     N6     112.892  118.600  0.600   -9.51  ?     
133   33  N7     C8     N9     117.861  113.800  0.500    8.12  ?     
134   33  "O4'"  "C1'"  N9     111.630  108.000  0.700    5.19  ?     
135   33  "O4'"  "C4'"  "C3'"  102.103  104.500  0.400   -5.99  ?     
136   34  P      "O3'"  "C3'"  126.753  119.700  1.200    5.88  Y     
137   34  C5     C6     N1     117.772  121.000  0.500   -6.46  ?     
138   34  N3     C4     C5     124.406  121.900  0.400    6.26  ?     
139   34  "O4'"  "C1'"  N1     113.981  108.000  0.700    8.54  ?     
140   34  "O4'"  "C4'"  "C3'"  109.047  106.000  0.600    5.08  ?     
141   34  P      "O5'"  "C5'"  129.138  120.900  1.600    5.15  ?     
142   35  C4     C5     C6     114.033  117.000  0.500   -5.93  ?     
143   35  C5     C6     N1     121.915  117.700  0.500    8.43  ?     
144   35  "O4'"  "C1'"  N9     112.998  108.000  0.700    7.14  ?     
145   35  "O4'"  "C4'"  "C3'"  111.922  106.000  0.600    9.87  ?     
146   36  C4     C5     C6     113.545  117.000  0.500   -6.91  ?     
147   36  C4     C5     N7     107.785  110.700  0.500   -5.83  ?     
148   36  C5     C6     N1     120.439  117.700  0.500    5.48  ?     
149   36  C6     C5     N7     137.694  132.300  0.700    7.71  ?     
150   36  N1     C6     N6     114.658  118.600  0.600   -6.57  ?     
151   36  N3     C4     N9     122.324  127.400  0.800   -6.34  ?     
152   36  N9     C4     C5     109.849  105.800  0.400   10.12  ?     
153   36  "O4'"  "C1'"  N9     112.364  108.000  0.700    6.23  ?     
154   36  "O4'"  "C4'"  "C3'"  110.574  106.000  0.600    7.62  ?     
155   37  C2     N3     C4     132.924  127.200  0.600    9.54  ?     
156   37  C4     C5     C6     125.221  118.000  0.600   12.04  ?     
157   37  C4     C5     C7     111.254  119.000  0.600  -12.91  ?     
158   37  C5     C4     O4     132.003  124.900  0.700   10.15  ?     
159   37  C5     C6     N1     119.383  123.700  0.600   -7.19  ?     
160   37  N1     C2     N3     110.323  114.600  0.600   -7.13  ?     
161   37  N3     C4     C5     108.323  115.200  0.600  -11.46  ?     
162   37  "O4'"  "C1'"  N1     113.998  108.000  0.700    8.57  ?     
163   38  P      "O3'"  "C3'"  127.012  119.700  1.200    6.09  Y     
164   38  C6     C5     C7     118.781  122.900  0.600   -6.87  ?     
165   38  C6     N1     C2     116.515  121.300  0.500   -9.57  ?     
166   38  N1     C2     N3     119.498  114.600  0.600    8.16  ?     
167   39  C2     N3     C4     114.424  111.900  0.500    5.05  ?     
168   39  C5     C6     N1     114.256  111.500  0.500    5.51  ?     
169   39  C8     N9     C4     103.179  106.400  0.400   -8.05  ?     
170   39  N1     C2     N2     121.888  116.200  0.900    6.32  ?     
171   39  N1     C6     O6     115.573  119.900  0.600   -7.21  ?     
172   39  N3     C2     N2     114.091  119.900  0.700   -8.30  ?     
173   39  N3     C4     C5     125.003  128.600  0.500   -7.19  ?     
174   39  N7     C8     N9     117.205  113.100  0.500    8.21  ?     
175   39  "O4'"  "C1'"  N9     113.485  108.000  0.700    7.83  ?     
176   39  "O4'"  "C4'"  "C3'"  109.614  106.000  0.600    6.02  ?     
177   40  C2     N3     C4     122.355  127.200  0.600   -8.07  ?     
178   40  "C3'"  "C2'"  "C1'"  110.586  102.500  1.200    6.74  ?     
179   40  C4     C5     C7     122.020  119.000  0.600    5.03  ?     
180   40  C6     C5     C7     118.887  122.900  0.600   -6.69  ?     
181   40  C6     N1     C2     115.991  121.300  0.500  -10.62  ?     
182   40  N1     C2     N3     121.617  114.600  0.600   11.70  ?     
183   40  N3     C2     O2     118.669  122.300  0.600   -6.05  ?     
184   40  "O4'"  "C1'"  "C2'"   99.710  105.900  0.800   -7.74  ?     
185   40  "O4'"  "C4'"  "C3'"  109.215  106.000  0.600    5.36  ?     
186   41  C4     C5     C6     121.718  118.000  0.600    6.20  ?     
187   41  C5     C4     O4     132.272  124.900  0.700   10.53  ?     
188   41  C5     C6     N1     120.179  123.700  0.600   -5.87  ?     
189   41  C6     C5     C7     117.956  122.900  0.600   -8.24  ?     
190   41  N1     C2     N3     119.528  114.600  0.600    8.21  ?     
191   41  N3     C4     O4     114.705  119.900  0.600   -8.66  ?     
192   41  "O4'"  "C1'"  "C2'"  110.081  105.900  0.800    5.23  ?     
193   43  "C1'"  "O4'"  "C4'"  102.596  110.100  1.000   -7.50  ?     
194   43  C2     N3     C4     107.676  110.600  0.500   -5.85  ?     
195   43  C4     C5     C6     113.804  117.000  0.500   -6.39  ?     
196   43  C5     C6     N1     121.698  117.700  0.500    8.00  ?     
197   43  C8     N9     C4     103.709  105.800  0.400   -5.23  ?     
198   43  N1     C6     N6     112.116  118.600  0.600  -10.81  ?     
199   43  N3     C4     N9     122.529  127.400  0.800   -6.09  ?     
200   43  N9     C4     C5     109.373  105.800  0.400    8.93  ?     
201   43  "O4'"  "C1'"  "C2'"  100.654  105.900  0.800   -6.56  ?     
202   44  C4     C5     C6     113.264  117.000  0.500   -7.47  ?     
203   45  "C1'"  "O4'"  "C4'"  116.212  110.100  1.000    6.11  ?     
204   45  C2     N3     C4     116.272  119.900  0.500   -7.26  ?     
205   45  N1     C2     O2     123.378  118.900  0.600    7.46  ?     
206   45  N3     C2     O2     114.792  121.900  0.700  -10.15  ?     
207   45  "O4'"  "C1'"  N1     120.801  108.000  0.700   18.29  ?     
208   46  "C1'"  "O4'"  "C4'"  104.780  110.100  1.000   -5.32  ?     
209   46  C2     N3     C4     113.358  110.600  0.500    5.52  ?     
210   46  C5     C6     N1     121.192  117.700  0.500    6.98  ?     
211   46  N1     C2     N3     125.498  129.300  0.500   -7.60  ?     
212   46  N1     C6     N6     113.688  118.600  0.600   -8.19  ?     
213   46  N9     C4     C5     103.548  105.800  0.400   -5.63  ?     
214   46  "O4'"  "C1'"  N9     115.008  108.000  0.700   10.01  ?     
215   46  "O4'"  "C4'"  "C3'"  110.695  106.000  0.600    7.83  ?     
216   47  C4     C5     C6     113.819  117.000  0.500   -6.36  ?     
217   47  C4     C5     N7     115.450  110.700  0.500    9.50  ?     
218   47  C5     C6     N6     127.740  123.700  0.800    5.05  ?     
219   47  C5     N7     C8      97.676  103.900  0.500  -12.45  ?     
220   47  C8     N9     C4     103.709  105.800  0.400   -5.23  ?     
221   47  N1     C6     N6     112.878  118.600  0.600   -9.54  ?     
222   47  N7     C8     N9     117.644  113.800  0.500    7.69  ?     
223   47  "O4'"  "C1'"  N9     111.887  108.000  0.700    5.55  ?     
224   48  "C4'"  "C3'"  "C2'"  108.204  103.100  0.900    5.67  ?     
225   48  C6     C5     C7     119.113  122.900  0.600   -6.31  ?     
226   48  N3     C2     O2     118.248  122.300  0.600   -6.75  ?     
227   48  N3     C4     O4     116.451  119.900  0.600   -5.75  ?     
228   48  "O4'"  "C1'"  N1     114.969  108.000  0.700    9.96  ?     
229   49  P      "O3'"  "C3'"  125.887  119.700  1.200    5.16  Y     
230   49  N3     C4     C5     118.581  115.200  0.600    5.63  ?     
231   49  N3     C4     O4     116.074  119.900  0.600   -6.38  ?     
232   49  "O4'"  "C4'"  "C3'"  111.350  106.000  0.600    8.92  ?     
233   50  P      "O3'"  "C3'"  125.791  119.700  1.200    5.08  Y     
234   50  "C1'"  "O4'"  "C4'"  115.950  110.100  1.000    5.85  ?     
235   50  C2     N3     C4     114.727  111.900  0.500    5.65  ?     
236   50  C4     C5     N7     105.075  110.800  0.400  -14.31  ?     
237   50  C6     C5     N7     133.893  130.400  0.600    5.82  ?     
238   50  C8     N9     C4     100.743  106.400  0.400  -14.14  ?     
239   50  N1     C2     N3     120.772  123.900  0.600   -5.21  ?     
240   50  N3     C2     N2     124.981  119.900  0.700    7.26  ?     
241   50  N3     C4     N9     120.812  126.000  0.600   -8.65  ?     
242   50  N7     C8     N9     116.193  113.100  0.500    6.18  ?     
243   50  N9     C4     C5     109.953  105.400  0.400   11.38  ?     
244   51  "O3'"  P      "O5'"   92.602  104.000  1.900   -6.00  Y     
245   51  "C1'"  "O4'"  "C4'"  103.466  110.100  1.000   -6.63  ?     
246   51  C4     C5     C6     123.483  118.000  0.600    9.14  ?     
247   51  C5     C4     O4     132.210  124.900  0.700   10.44  ?     
248   51  C5     C6     N1     118.061  123.700  0.600   -9.40  ?     
249   51  C6     C5     C7     118.393  122.900  0.600   -7.51  ?     
250   51  N3     C4     O4     114.205  119.900  0.600   -9.49  ?     
251   51  "O4'"  "C1'"  "C2'"   99.010  105.900  0.800   -8.61  ?     
252   52  C5     C4     O4     128.470  124.900  0.700    5.10  ?     
253   52  C5     C6     N1     119.407  123.700  0.600   -7.16  ?     
254   52  N3     C4     O4     115.987  119.900  0.600   -6.52  ?     
255   52  "O4'"  "C1'"  N1     112.063  108.000  0.700    5.80  ?     
256   52  "O4'"  "C4'"  "C3'"  109.265  106.000  0.600    5.44  ?     
257   53  C2     N3     C4     116.352  110.600  0.500   11.51  ?     
258   53  C5     C6     N6     127.913  123.700  0.800    5.27  ?     
259   53  N1     C2     N3     121.591  129.300  0.500  -15.42  ?     
260   53  N1     C6     N6     112.934  118.600  0.600   -9.44  ?     
261   53  "O4'"  "C1'"  N9     101.854  108.000  0.700   -8.78  ?     
262   54  C2     N3     C4     113.978  110.600  0.500    6.76  ?     
263   54  C5     C6     N1     120.382  117.700  0.500    5.36  ?     
264   54  N1     C2     N3     122.011  129.300  0.500  -14.58  ?     
265   54  N1     C6     N6     114.291  118.600  0.600   -7.18  ?     
266   55  "C4'"  "C3'"  "C2'"   98.479  103.100  0.900   -5.13  ?     
267   55  C4     C5     C6     120.406  117.400  0.500    6.01  ?     
268   55  C5     C6     N1     117.181  121.000  0.500   -7.64  ?     
269   55  N3     C2     O2     116.953  121.900  0.700   -7.07  ?     
270   55  "O4'"  "C1'"  N1     112.634  108.000  0.700    6.62  ?     
271   55  "O4'"  "C4'"  "C3'"  111.654  106.000  0.600    9.42  ?     
272   56  C4     C5     C6     112.726  117.000  0.500   -8.55  ?     
273   56  C6     C5     N7     136.092  132.300  0.700    5.42  ?     
274   56  N3     C4     C5     130.761  126.800  0.700    5.66  ?     
275   56  "O4'"  "C1'"  N9     113.141  108.000  0.700    7.34  ?     
276   56  "O5'"  P      OP2    100.053  105.700  0.900   -6.27  ?     
277   57  C4     C5     C6     111.647  117.000  0.500  -10.71  ?     
278   57  C5     C6     N1     121.553  117.700  0.500    7.71  ?     
279   57  C6     C5     N7     136.782  132.300  0.700    6.40  ?     
280   57  N1     C2     N3     125.749  129.300  0.500   -7.10  ?     
281   57  N1     C6     N6     114.135  118.600  0.600   -7.44  ?     
282   57  "O4'"  "C1'"  "C2'"   99.303  105.900  0.800   -8.25  ?     
283   57  "O4'"  "C1'"  N9     104.270  108.000  0.700   -5.33  ?     
284   58  P      "O3'"  "C3'"  112.576  119.700  1.200   -5.94  Y     
285   58  C4     C5     C6     124.062  118.000  0.600   10.10  ?     
286   58  C5     C6     N1     118.772  123.700  0.600   -8.21  ?     
287   58  C6     C5     C7     119.775  122.900  0.600   -5.21  ?     
288   58  N1     C2     N3     117.654  114.600  0.600    5.09  ?     
289   58  N3     C2     O2     115.298  122.300  0.600  -11.67  ?     
290   58  N3     C4     C5     111.320  115.200  0.600   -6.47  ?     
291   58  "O4'"  "C1'"  N1     115.143  108.000  0.700   10.20  ?     
292   59  C2     N3     C4     122.151  127.200  0.600   -8.41  ?     
293   59  C5     C4     O4     131.133  124.900  0.700    8.90  ?     
294   59  C6     C5     C7     118.988  122.900  0.600   -6.52  ?     
295   59  C6     N1     C2     118.071  121.300  0.500   -6.46  ?     
296   59  N1     C2     N3     120.106  114.600  0.600    9.18  ?     
297   59  N3     C2     O2     118.068  122.300  0.600   -7.05  ?     
298   59  N3     C4     O4     112.247  119.900  0.600  -12.76  ?     
299   59  "O4'"  "C1'"  "C2'"  113.155  105.900  0.800    9.07  ?     
300   59  "O4'"  "C4'"  "C3'"  110.786  106.000  0.600    7.98  ?     
301   59  "O5'"  P      OP2    101.095  105.700  0.900   -5.12  ?     
302   60  P      "O3'"  "C3'"  125.948  119.700  1.200    5.21  Y     
303   60  C4     C5     N7     107.785  110.800  0.400   -7.54  ?     
304   60  C5     C6     O6     131.796  128.600  0.600    5.33  ?     
305   60  C8     N9     C4     103.780  106.400  0.400   -6.55  ?     
306   60  N1     C2     N2     111.588  116.200  0.900   -5.12  ?     
307   60  N1     C6     O6     115.113  119.900  0.600   -7.98  ?     
308   60  N3     C4     C5     122.742  128.600  0.500  -11.71  ?     
309   60  N7     C8     N9     116.013  113.100  0.500    5.83  ?     
310   60  N9     C4     C5     108.788  105.400  0.400    8.47  ?     
311   60  "O4'"  "C1'"  "C2'"  101.586  105.900  0.800   -5.39  ?     
312   60  "O4'"  "C4'"  "C3'"   98.412  106.000  0.600  -12.65  ?     
313   61  C2     N3     C4     119.888  127.200  0.600  -12.19  ?     
314   61  C5     C6     N1     119.429  123.700  0.600   -7.12  ?     
315   61  N1     C2     N3     118.789  114.600  0.600    6.98  ?     
316   61  N3     C4     C5     119.935  115.200  0.600    7.89  ?     
317   61  N3     C4     O4     114.674  119.900  0.600   -8.71  ?     
318   61  "O4'"  "C4'"  "C3'"  109.588  106.000  0.600    5.98  ?     
319   62  C2     N3     C4     122.766  127.200  0.600   -7.39  ?     
320   62  C4     C5     C7     123.555  119.000  0.600    7.59  ?     
321   62  C6     C5     C7     119.802  122.900  0.600   -5.16  ?     
322   62  C6     N1     C2     117.673  121.300  0.500   -7.25  ?     
323   62  N1     C2     N3     119.278  114.600  0.600    7.80  ?     
324   62  N3     C2     O2     116.368  122.300  0.600   -9.89  ?     
325   62  N3     C4     O4     115.456  119.900  0.600   -7.41  ?     
326   62  "O4'"  "C1'"  N1     112.339  108.000  0.700    6.20  ?     
327   64  C2     N3     C4     113.270  110.600  0.500    5.34  ?     
328   64  C4     C5     C6     113.631  117.000  0.500   -6.74  ?     
329   64  C5     C6     N1     120.924  117.700  0.500    6.45  ?     
330   64  C5     N7     C8     106.665  103.900  0.500    5.53  ?     
331   64  C8     N9     C4     108.274  105.800  0.400    6.18  ?     
332   64  N1     C6     N6     113.483  118.600  0.600   -8.53  ?     
333   64  N7     C8     N9     111.176  113.800  0.500   -5.25  ?     
334   64  "O4'"  "C4'"  "C3'"  109.016  106.000  0.600    5.03  ?     
335   65  C4     C5     C6     111.851  117.000  0.500  -10.30  ?     
336   65  C5     C6     N1     120.391  117.700  0.500    5.38  ?     
337   65  C6     C5     N7     138.230  132.300  0.700    8.47  ?     
338   65  C6     N1     C2     115.521  118.600  0.600   -5.13  ?     
339   65  N1     C2     N3     132.203  129.300  0.500    5.80  ?     
340   65  N3     C4     N9     122.993  127.400  0.800   -5.51  ?     
341   65  "O4'"  "C1'"  N9     112.662  108.000  0.700    6.66  ?     
342   65  "O4'"  "C4'"  "C3'"  102.189  104.500  0.400   -5.78  ?     
343   67  C2     N3     C4     115.352  110.600  0.500    9.50  ?     
344   67  C5     C6     N1     121.051  117.700  0.500    6.70  ?     
345   67  C8     N9     C4     103.311  105.800  0.400   -6.22  ?     
346   67  N1     C2     N3     124.094  129.300  0.500  -10.41  ?     
347   67  N1     C6     N6     115.036  118.600  0.600   -5.94  ?     
348   67  N9     "C1'"  "C2'"  122.951  112.600  1.900    5.45  ?     
349   67  N9     C4     C5     109.340  105.800  0.400    8.85  ?     
350   67  "O4'"  "C1'"  "C2'"  110.118  105.900  0.800    5.27  ?     
351   67  "O4'"  "C1'"  N9     114.472  108.000  0.700    9.25  ?     
352   68  C2     N3     C4     114.446  110.600  0.500    7.69  ?     
353   68  C4     C5     C6     111.221  117.000  0.500  -11.56  ?     
354   68  C5     C6     N1     122.643  117.700  0.500    9.89  ?     
355   68  C6     C5     N7     136.829  132.300  0.700    6.47  ?     
356   68  C8     N9     C4     107.879  105.800  0.400    5.20  ?     
357   68  N1     C2     N3     126.309  129.300  0.500   -5.98  ?     
358   68  N1     C6     N6     113.090  118.600  0.600   -9.18  ?     
359   68  "O4'"  "C4'"  "C3'"  111.820  106.000  0.600    9.70  ?     
360   69  C4     C5     C6     123.779  118.000  0.600    9.63  ?     
361   69  C5     C6     N1     119.983  123.700  0.600   -6.20  ?     
362   69  C6     C5     C7     116.699  122.900  0.600  -10.34  ?     
363   69  N1     C2     N3     117.734  114.600  0.600    5.22  ?     
364   69  N3     C4     C5     110.995  115.200  0.600   -7.01  ?     
365   69  "O4'"  "C1'"  N1     103.363  108.000  0.700   -6.62  ?     
366   70  C5     C4     O4     131.968  124.900  0.700   10.10  ?     
367   70  C6     C5     C7     119.881  122.900  0.600   -5.03  ?     
368   70  N3     C2     O2     117.875  122.300  0.600   -7.38  ?     
369   70  N3     C4     O4     113.258  119.900  0.600  -11.07  ?     
370   71  P      "O3'"  "C3'"  128.679  119.700  1.200    7.48  Y     
371   71  C2     N3     C4     117.119  111.900  0.500   10.44  ?     
372   71  C5     C6     O6     121.582  128.600  0.600  -11.70  ?     
373   71  N1     C2     N2     111.341  116.200  0.900   -5.40  ?     
374   71  N1     C2     N3     119.858  123.900  0.600   -6.74  ?     
375   71  N1     C6     O6     124.976  119.900  0.600    8.46  ?     
376   71  N3     C2     N2     128.694  119.900  0.700   12.56  ?     
377   71  N3     C4     C5     125.012  128.600  0.500   -7.17  ?     
378   71  N3     C4     N9     130.941  126.000  0.600    8.23  ?     
379   72  "C4'"  "C3'"  "C2'"  111.507  103.100  0.900    9.34  ?     
380   72  C4     C5     C6     123.790  118.000  0.600    9.65  ?     
381   72  "C5'"  "C4'"  "C3'"  123.804  114.100  1.800    5.39  ?     
382   72  C6     C5     C7     117.031  122.900  0.600   -9.78  ?     
383   72  C6     N1     C2     115.322  121.300  0.500  -11.96  ?     
384   72  N1     C2     N3     120.455  114.600  0.600    9.76  ?     
385   72  N3     C2     O2     116.955  122.300  0.600   -8.91  ?     
386   72  N3     C4     C5     109.368  115.200  0.600   -9.72  ?     
387   72  "O4'"  "C1'"  "C2'"  111.478  105.900  0.800    6.97  ?     
388   72  "O4'"  "C1'"  N1     114.185  108.000  0.700    8.84  ?     
389   72  "O4'"  "C4'"  "C3'"  101.617  104.500  0.400   -7.21  ?     
390   73  "C1'"  "O4'"  "C4'"  103.662  110.100  1.000   -6.44  ?     
391   73  C5     C6     N1     120.676  123.700  0.600   -5.04  ?     
392   73  N1     C2     N3     117.839  114.600  0.600    5.40  ?     
393   73  N3     C4     O4     116.436  119.900  0.600   -5.77  ?     
394   73  "O4'"  "C4'"  "C3'"  109.874  106.000  0.600    6.46  ?     
395   74  "C1'"  "O4'"  "C4'"  102.726  110.100  1.000   -7.37  ?     
396   74  C4     C5     C6     112.824  117.000  0.500   -8.35  ?     
397   74  C4     C5     N7     106.500  110.700  0.500   -8.40  ?     
398   74  C5     C6     N1     121.940  117.700  0.500    8.48  ?     
399   74  C5     N7     C8     107.295  103.900  0.500    6.79  ?     
400   74  C6     C5     N7     140.659  132.300  0.700   11.94  ?     
401   74  C6     N1     C2     115.268  118.600  0.600   -5.55  ?     
402   74  N1     C6     N6     110.585  118.600  0.600  -13.36  ?     
403   74  N9     C4     C5     107.896  105.800  0.400    5.24  ?     
404   74  "O4'"  "C1'"  "C2'"  110.177  105.900  0.800    5.35  ?     
405   74  "O4'"  "C4'"  "C3'"  112.615  106.000  0.600   11.03  ?     
406   75  "C1'"  "O4'"  "C4'"  103.805  110.100  1.000   -6.29  ?     
407   75  C4     C5     C6     111.957  117.000  0.500  -10.09  ?     
408   75  C5     C6     N1     122.393  117.700  0.500    9.39  ?     
409   75  C5     C6     N6     128.300  123.700  0.800    5.75  ?     
410   75  C6     C5     N7     137.230  132.300  0.700    7.04  ?     
411   75  N1     C2     N3     125.070  129.300  0.500   -8.46  ?     
412   75  N1     C6     N6     108.893  118.600  0.600  -16.18  ?     
413   75  "O4'"  "C1'"  N9     111.519  108.000  0.700    5.03  ?     
414   76  P      "O3'"  "C3'"  127.735  119.700  1.200    6.70  Y     
415   76  C2     N3     C4     115.862  119.900  0.500   -8.08  ?     
416   76  C4     C5     C6     121.001  117.400  0.500    7.20  ?     
417   76  C5     C6     N1     117.245  121.000  0.500   -7.51  ?     
418   76  N1     C2     N3     123.713  119.200  0.700    6.45  ?     
419   76  N1     C2     O2     123.115  118.900  0.600    7.03  ?     
420   76  N3     C2     O2     113.074  121.900  0.700  -12.61  ?     
421   76  "O4'"  "C1'"  N1     103.148  108.000  0.700   -6.93  ?     
422   77  P      "O3'"  "C3'"  127.777  119.700  1.200    6.73  Y     
423   77  C4     C5     C6     112.564  117.000  0.500   -8.87  ?     
424   77  C5     C6     N1     121.900  117.700  0.500    8.40  ?     
425   77  C5     N7     C8     100.949  103.900  0.500   -5.90  ?     
426   77  N1     C2     N3     124.203  129.300  0.500  -10.20  ?     
427   77  N1     C6     N6     112.840  118.600  0.600   -9.60  ?     
428   77  "O4'"  "C1'"  N9     111.948  108.000  0.700    5.64  ?     
429   77  "O4'"  "C4'"  "C3'"  113.242  106.000  0.600   12.07  ?     
430   78  C4     C5     N7     107.205  110.700  0.500   -6.99  ?     
431   78  C8     N9     C4     102.883  105.800  0.400   -7.29  ?     
432   78  N9     C4     C5     109.388  105.800  0.400    8.97  ?     
433   78  "O4'"  "C1'"  "C2'"  101.852  105.900  0.800   -5.06  ?     
434   79  C5     C6     N1     119.792  123.700  0.600   -6.51  ?     
435   79  N3     C2     O2     116.345  122.300  0.600   -9.93  ?     
436   79  "O4'"  "C1'"  N1     111.801  108.000  0.700    5.43  ?     
437   80  C6     C5     C7     118.985  122.900  0.600   -6.53  ?     
438   80  N1     C2     N3     117.924  114.600  0.600    5.54  ?     
439   80  N3     C2     O2     118.716  122.300  0.600   -5.97  ?     
440   80  "O4'"  "C1'"  "C2'"  110.295  105.900  0.800    5.49  ?     
441   80  "O4'"  "C1'"  N1     112.408  108.000  0.700    6.30  ?     
442   81  "C1'"  "O4'"  "C4'"  103.641  110.100  1.000   -6.46  ?     
443   81  C5     C6     N1     115.757  111.500  0.500    8.51  ?     
444   81  C5     N7     C8     100.132  104.300  0.500   -8.34  ?     
445   81  C6     N1     C2     120.670  125.100  0.600   -7.38  ?     
446   81  C8     N9     C4     103.509  106.400  0.400   -7.23  ?     
447   81  N1     C6     O6     112.694  119.900  0.600  -12.01  ?     
448   81  N3     C2     N2     115.138  119.900  0.700   -6.80  ?     
449   81  N9     C4     C5     108.576  105.400  0.400    7.94  ?     
450   82  P      "O3'"  "C3'"  128.454  119.700  1.200    7.29  Y     
451   82  "C4'"  "C3'"  "C2'"  109.073  103.100  0.900    6.64  ?     
452   82  C4     C5     C6     123.657  118.000  0.600    9.43  ?     
453   82  C5     C6     N1     119.840  123.700  0.600   -6.43  ?     
454   82  C6     C5     C7     118.848  122.900  0.600   -6.75  ?     
455   82  N1     C2     N3     117.977  114.600  0.600    5.63  ?     
456   82  "O4'"  "C4'"  "C3'"  100.054  106.000  0.600   -9.91  ?     
457   83  C2     N3     C4     124.162  127.200  0.600   -5.06  ?     
458   83  N3     C2     O2     117.668  122.300  0.600   -7.72  ?     
459   83  N3     C4     O4     115.646  119.900  0.600   -7.09  ?     
460   83  "O4'"  "C1'"  "C2'"  101.852  105.900  0.800   -5.06  ?     
461   85  C5     C6     N1     121.141  117.700  0.500    6.88  ?     
462   85  N1     C6     N6     114.872  118.600  0.600   -6.21  ?     
463   86  C4     C5     C6     112.429  117.000  0.500   -9.14  ?     
464   86  C5     C6     N1     122.203  117.700  0.500    9.01  ?     
465   86  C5     C6     N6     129.131  123.700  0.800    6.79  ?     
466   86  C6     C5     N7     136.923  132.300  0.700    6.60  ?     
467   86  N1     C6     N6     108.600  118.600  0.600  -16.67  ?     
468   86  N7     C8     N9     116.419  113.800  0.500    5.24  ?     
469   86  "O4'"  "C1'"  N9     112.901  108.000  0.700    7.00  ?     
470   87  C5     C4     N4     115.893  120.200  0.700   -6.15  ?     
471   87  N1     C2     O2     124.362  118.900  0.600    9.10  ?     
472   87  N3     C2     O2     114.834  121.900  0.700  -10.09  ?     
473   87  N3     C4     C5     124.316  121.900  0.400    6.04  ?     
474   88  C4     C5     C6     111.934  117.000  0.500  -10.13  ?     
475   88  C4     C5     N7     114.591  110.700  0.500    7.78  ?     
476   88  C6     N1     C2     123.474  118.600  0.600    8.12  ?     
477   88  N1     C2     N3     126.430  129.300  0.500   -5.74  ?     
478   88  N1     C6     N6     115.319  118.600  0.600   -5.47  ?     
479   88  N7     C8     N9     110.689  113.800  0.500   -6.22  ?     
480   89  C2     N3     C4     115.437  110.600  0.500    9.67  ?     
481   89  C5     C6     N1     121.573  117.700  0.500    7.75  ?     
482   89  C5     C6     N6     129.397  123.700  0.800    7.12  ?     
483   89  C6     C5     N7     136.262  132.300  0.700    5.66  ?     
484   89  N1     C6     N6     108.670  118.600  0.600  -16.55  ?     
485   89  N3     C4     C5     122.209  126.800  0.700   -6.56  ?     
486   90  "C4'"  "C3'"  "C2'"  107.657  103.100  0.900    5.06  ?     
487   90  C5     C6     N1     120.481  123.700  0.600   -5.37  ?     
488   90  C6     C5     C7     118.520  122.900  0.600   -7.30  ?     
489   90  N1     C2     N3     117.888  114.600  0.600    5.48  ?     
490   90  N3     C2     O2     118.391  122.300  0.600   -6.51  ?     
491   90  "O4'"  "C1'"  N1     113.302  108.000  0.700    7.57  ?     
492   91  P      "O3'"  "C3'"  126.638  119.700  1.200    5.78  Y     
493   91  "C4'"  "C3'"  "C2'"   98.597  103.100  0.900   -5.00  ?     
494   91  C4     C5     C7     122.240  119.000  0.600    5.40  ?     
495   91  C6     C5     C7     117.607  122.900  0.600   -8.82  ?     
496   91  N1     C2     N3     118.666  114.600  0.600    6.78  ?     
497   91  N3     C2     O2     118.167  122.300  0.600   -6.89  ?     
498   91  "O4'"  "C1'"  N1     117.640  108.000  0.700   13.77  ?     
499   91  "O4'"  "C4'"  "C3'"  111.424  106.000  0.600    9.04  ?     
500   92  "C4'"  "C3'"  "C2'"   95.711  103.100  0.900   -8.21  ?     
501   92  C8     N9     C4     103.386  106.400  0.400   -7.54  ?     
502   93  P      "O3'"  "C3'"  129.694  119.700  1.200    8.33  Y     
503   93  C2     N3     C4     121.701  127.200  0.600   -9.16  ?     
504   93  "C4'"  "C3'"  "C2'"   97.465  103.100  0.900   -6.26  ?     
505   93  C6     N1     C2     117.464  121.300  0.500   -7.67  ?     
506   93  N1     C2     N3     120.341  114.600  0.600    9.57  ?     
507   93  N3     C2     O2     116.179  122.300  0.600  -10.20  ?     
508   93  "O4'"  "C1'"  "C2'"  101.568  105.900  0.800   -5.42  ?     
509   93  "O4'"  "C4'"  "C3'"  110.468  106.000  0.600    7.45  ?     
510   94  C4     C5     C7     123.518  119.000  0.600    7.53  ?     
511   94  C5     C4     O4     128.664  124.900  0.700    5.38  ?     
512   94  C6     C5     C7     115.232  122.900  0.600  -12.78  ?     
513   94  N1     C2     O2     127.640  123.100  0.800    5.67  ?     
514   94  N3     C2     O2     118.290  122.300  0.600   -6.68  ?     
515   95  C2     N3     C4     106.577  110.600  0.500   -8.05  ?     
516   95  C4     C5     C6     113.318  117.000  0.500   -7.36  ?     
517   95  C4     C5     N7     114.146  110.700  0.500    6.89  ?     
518   95  N3     C4     C5     132.221  126.800  0.700    7.75  ?     
519   95  N9     C4     C5     102.171  105.800  0.400   -9.07  ?     
520   96  P      "O3'"  "C3'"  126.123  119.700  1.200    5.35  Y     
521   96  C4     C5     C6     111.568  117.000  0.500  -10.87  ?     
522   96  C5     C6     N1     122.767  117.700  0.500   10.13  ?     
523   96  C5     C6     N6     127.722  123.700  0.800    5.03  ?     
524   96  C5     N7     C8     100.383  103.900  0.500   -7.03  ?     
525   96  C6     C5     N7     136.198  132.300  0.700    5.57  ?     
526   96  N1     C6     N6     109.029  118.600  0.600  -15.95  ?     
527   96  "O4'"  "C1'"  "C2'"   98.924  105.900  0.800   -8.72  ?     
528   96  "O4'"  "C1'"  N9     114.303  108.000  0.700    9.01  ?     
529   97  C5     C4     N4     123.825  120.200  0.700    5.18  ?     
530   97  N3     C2     O2     117.750  121.900  0.700   -5.93  ?     
531   97  N3     C4     C5     124.543  121.900  0.400    6.61  ?     
532   97  N3     C4     N4     111.029  118.000  0.700   -9.96  ?     
533   97  "O4'"  "C1'"  N1     112.136  108.000  0.700    5.91  ?     
534   97  "O4'"  "C4'"  "C3'"  109.850  106.000  0.600    6.42  ?     
535   98  "C4'"  "C3'"  "C2'"   97.835  103.100  0.900   -5.85  ?     
536   98  C5     N7     C8     101.096  103.900  0.500   -5.61  ?     
537   98  "O4'"  "C4'"  "C3'"  111.356  106.000  0.600    8.93  ?     
538   99  C2     N3     C4     114.469  110.600  0.500    7.74  ?     
539   99  "C3'"  "C2'"  "C1'"  110.283  102.500  1.200    6.49  ?     
540   99  "C4'"  "C3'"  "C2'"   97.903  103.100  0.900   -5.77  ?     
541   99  C4     C5     N7     107.216  110.700  0.500   -6.97  ?     
542   99  C5     C6     N1     120.721  117.700  0.500    6.04  ?     
543   99  C6     C5     N7     136.204  132.300  0.700    5.58  ?     
544   99  C8     N9     C4     101.480  105.800  0.400  -10.80  ?     
545   99  N1     C6     N6     113.067  118.600  0.600   -9.22  ?     
546   99  N3     C4     C5     121.631  126.800  0.700   -7.38  ?     
547   99  N7     C8     N9     116.650  113.800  0.500    5.70  ?     
548   99  N9     C4     C5     108.562  105.800  0.400    6.91  ?     
549   99  "O4'"  "C1'"  "C2'"  101.781  105.900  0.800   -5.15  ?     
550   99  "O4'"  "C4'"  "C3'"  112.974  106.000  0.600   11.62  ?     
551  100  C2     N3     C4     124.084  127.200  0.600   -5.19  ?     
552  100  C6     C5     C7     119.777  122.900  0.600   -5.21  ?     
553  100  C6     N1     C2     118.800  121.300  0.500   -5.00  ?     
554  100  N3     C2     O2     117.912  122.300  0.600   -7.31  ?     
555  100  N3     C4     O4     115.533  119.900  0.600   -7.28  ?     
556  100  "O4'"  "C4'"  "C3'"  109.296  106.000  0.600    5.49  ?     
557  101  C4     C5     C6     122.929  118.000  0.600    8.21  ?     
558  101  C5     C6     N1     119.998  123.700  0.600   -6.17  ?     
559  101  C6     C5     C7     117.521  122.900  0.600   -8.96  ?     
560  101  N3     C2     O2     117.727  122.300  0.600   -7.62  ?     
561  101  "O4'"  "C4'"  "C3'"  111.911  106.000  0.600    9.85  ?     
562  102  C5     C6     N1     116.214  111.500  0.500    9.43  ?     
563  102  C6     N1     C2     121.760  125.100  0.600   -5.57  ?     
564  102  N1     C2     N3     126.967  123.900  0.600    5.11  ?     
565  102  N1     C6     O6     113.484  119.900  0.600  -10.69  ?     
566  102  N3     C2     N2     115.096  119.900  0.700   -6.86  ?     
567  102  N3     C4     C5     125.732  128.600  0.500   -5.74  ?     
568  103  P      "O3'"  "C3'"  126.394  119.700  1.200    5.58  Y     
569  103  "C1'"  "O4'"  "C4'"  104.561  110.100  1.000   -5.54  ?     
570  103  C2     N3     C4     123.918  127.200  0.600   -5.47  ?     
571  103  C4     C5     C6     124.296  118.000  0.600   10.49  ?     
572  103  C5     C4     O4     130.824  124.900  0.700    8.46  ?     
573  103  C6     C5     C7     119.050  122.900  0.600   -6.42  ?     
574  103  N3     C4     O4     116.729  119.900  0.600   -5.29  ?     
575  103  "O4'"  "C4'"  "C3'"  109.356  106.000  0.600    5.59  ?     
576  104  "C3'"  "C2'"  "C1'"   94.741  102.500  1.200   -6.47  ?     
577  104  "C4'"  "C3'"  "C2'"  111.289  103.100  0.900    9.10  ?     
578  104  C4     C5     C6     123.617  118.000  0.600    9.36  ?     
579  104  C5     C4     O4     131.065  124.900  0.700    8.81  ?     
580  104  C5     C6     N1     119.806  123.700  0.600   -6.49  ?     
581  104  C6     C5     C7     116.457  122.900  0.600  -10.74  ?     
582  104  N3     C2     O2     118.764  122.300  0.600   -5.89  ?     
583  104  N3     C4     C5     111.245  115.200  0.600   -6.59  ?     
584  104  "O4'"  "C1'"  "C2'"  112.090  105.900  0.800    7.74  ?     
#
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   42  C5D  N4   1.41  1.35     69  0.01   4.79  0.02  
 2   42  C8D  C7   1.35  1.40  10000  0.02  -2.35  0.00  
 3   42  C9   C8D  1.44  1.38  10000  0.02   3.26  0.00  
 4   42  C18  N19  1.53  1.46   9848  0.03   2.24  0.00  
 5   42  C23  N24  1.54  1.47   3364  0.02   3.01  0.00  
 6   42  C36  N24  1.36  1.40   2654  0.02  -2.13  0.00  
 7   42  C26  C34  1.33  1.41   7015  0.02  -4.08  0.00  
 8   42  C32  C31  1.41  1.36  10000  0.02   2.26  0.00  
 9   42  C35  C36  1.53  1.48   5595  0.02   2.14  0.00  
10   63  C9   C9A  1.35  1.39   5293  0.02  -2.46  0.00  
11   63  C11  N10  1.49  1.45     42  0.01   2.98  0.02  
12   63  O13  C8D  1.42  1.37  10000  0.02   2.22  0.00  
13   63  C15  N16  1.55  1.47  10000  0.02   3.67  0.00  
14   63  C18  N19  1.55  1.46   9848  0.03   3.21  0.00  
15   63  C21  C20  1.59  1.51   6043  0.04   2.03  0.00  
16   63  C36  N24  1.36  1.40   2654  0.02  -2.06  0.00  
17   63  C26  C34  1.36  1.41   7015  0.02  -2.52  0.00  
18   63  C28  C29  1.42  1.36  10000  0.02   2.51  0.00  
19   63  C31  C30  1.36  1.41  10000  0.02  -2.08  0.00  
20   63  C35  C34  1.37  1.41   7015  0.02  -2.28  0.00  
21   84  O2   C7   1.44  1.37  10000  0.02   4.26  0.00  
22   84  C3   N4   1.43  1.47   3415  0.02  -2.15  0.00  
23   84  C11  N10  1.43  1.45     42  0.01  -2.16  0.01  
24   84  C21  N16  1.55  1.46   9848  0.03   3.02  0.00  
25   84  C25  N24  1.33  1.40   2654  0.02  -3.56  0.00  
26   84  C27  C26  1.41  1.38  10000  0.02   2.03  0.00  
27   84  C31  C30  1.36  1.41  10000  0.02  -2.14  0.00  
28   84  C32  C31  1.41  1.36  10000  0.02   2.12  0.00  
29   84  C35  C34  1.36  1.41   7015  0.02  -2.48  0.00  
30  105  O2   C7   1.46  1.37  10000  0.02   5.52  0.00  
31  105  C1A  N4   1.42  1.47    305  0.02  -3.39  0.00  
32  105  C11  N10  1.48  1.45     42  0.01   2.02  0.01  
33  105  C17  N16  1.53  1.46   9848  0.03   2.35  0.00  
34  105  C36  N24  1.34  1.40   2654  0.02  -2.97  0.00  
35  105  C35  C36  1.52  1.48   5595  0.02   2.07  0.00  
36  105  C5A  C5D  1.57  1.50    296  0.02   4.33  0.00  
37  105  C5A  C9A  1.36  1.41   3878  0.02  -2.99  0.00  
#
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   21  C12  O2   C7   123.46  117.53  10000  1.51   3.93  0.04  
 2   21  C2D  C3   N4   106.97  103.25   2932  1.76   2.12  0.02  
 3   21  C3   N4   C5D  124.61  121.87     28  1.35   2.02  0.87  
 4   21  O5   C5D  N4   119.02  121.95     69  1.16  -2.52  0.29  
 5   21  C9   C9A  N10  114.55  119.42     38  1.87  -2.60  0.59  
 6   42  C12  O2   C7   124.05  117.53  10000  1.51   4.32  0.03  
 7   42  C2D  C3   N4   114.65  103.25   2932  1.76   6.50  0.29  
 8   42  C3   N4   C1A  105.38  111.52    225  1.67  -3.67  0.44  
 9   42  C3   N4   C5D  127.17  121.87     28  1.35   3.91  3.43  
10   42  O2   C7   C6D  118.49  124.12  10000  1.72  -3.27  0.00  
11   42  C6D  C7   C8D  123.81  119.84  10000  1.33   2.99  0.00  
12   42  C9A  C9   C8D  124.90  119.49    608  1.96   2.76  0.99  
13   42  C14  C15  N16  108.11  113.84   1605  2.52  -2.27  0.09  
14   42  C15  N16  C21  105.93  111.23   2331  2.56  -2.07  0.12  
15   42  C1   C1A  N4   107.69  102.81    245  1.75   2.78  1.64  
16   42  C20  C21  N16  115.57  110.64   4680  2.05   2.40  0.04  
17   42  C22  C23  N24  105.02  111.90    205  1.80  -3.82  0.23  
18   42  C36  N24  C25  121.50  124.75   1178  1.18  -2.76  0.01  
19   42  C34  C26  C25  124.56  120.02   5592  1.41   3.22  0.02  
20   42  C27  C26  C34  116.96  120.10   6295  1.41  -2.23  0.00  
21   42  C28  C29  C30  115.35  120.44  10000  1.56  -3.26  0.01  
22   42  C31  C32  C33  124.43  120.99  10000  1.59   2.16  0.00  
23   42  C32  C33  C35  114.51  119.56   6207  1.80  -2.81  0.03  
24   42  C26  C34  C30  122.12  119.03   1882  1.41   2.19  0.02  
25   42  C35  C34  C26  116.30  120.95   2990  1.53  -3.03  0.00  
26   42  C33  C35  C34  123.14  120.10   6295  1.41   2.16  0.00  
27   42  C33  C35  C36  114.92  119.77   4979  1.52  -3.18  0.02  
28   42  O36  C36  N24  123.62  120.13   2654  1.42   2.46  0.00  
29   42  O36  C36  C35  117.91  122.66   5596  1.72  -2.76  0.01  
30   42  C9   C8D  C7   113.58  119.84  10000  1.33  -4.71  0.05  
31   42  O13  C8D  C7   121.63  115.73   7658  2.07   2.86  0.01  
32   63  C12  O2   C7   124.19  117.53  10000  1.51   4.42  0.01  
33   63  C3   N4   C5D  127.49  121.87     28  1.35   4.15  3.75  
34   63  O2   C7   C6D  120.44  124.12  10000  1.72  -2.14  0.00  
35   63  O2   C7   C8D  118.24  115.41  10000  1.39   2.03  0.01  
36   63  C15  N16  C21  105.69  111.23   2331  2.56  -2.17  0.01  
37   63  C20  N19  C18  103.99  108.83   6172  2.25  -2.15  0.00  
38   63  C22  N19  C20  119.03  111.23   2331  2.56   3.05  0.05  
39   63  C36  N24  C25  120.72  124.75   1178  1.18  -3.42  0.21  
40   63  C34  C26  C25  125.49  120.02   5592  1.41   3.88  0.06  
41   63  C27  C26  C34  115.62  120.10   6295  1.41  -3.18  0.01  
42   63  C31  C30  C34  123.35  118.27  10000  2.01   2.54  0.09  
43   63  C32  C31  C30  116.81  120.44  10000  1.56  -2.32  0.00  
44   63  C26  C34  C30  125.12  119.03   1882  1.41   4.32  0.27  
45   63  C35  C34  C26  117.15  120.95   2990  1.53  -2.48  0.05  
46   63  C35  C36  N24  121.55  117.03   2195  1.19   3.78  0.07  
47   63  O5   C5D  N4   119.43  121.95     69  1.16  -2.16  0.12  
48   84  C12  O2   C7   122.29  117.53  10000  1.51   3.15  0.01  
49   84  C2D  C3   N4   108.19  103.25   2932  1.76   2.81  0.11  
50   84  C3   N4   C5D  127.89  121.87     28  1.35   4.44  4.15  
51   84  O2   C7   C6D  119.33  124.12  10000  1.72  -2.78  0.01  
52   84  O2   C7   C8D  119.47  115.41  10000  1.39   2.92  0.01  
53   84  O13  C13  C14  118.89  108.33  10000  3.72   2.84  0.00  
54   84  C14  C15  N16  108.50  113.84   1605  2.52  -2.12  0.07  
55   84  C15  N16  C17  105.39  111.23   2331  2.56  -2.28  0.07  
56   84  C18  C17  N16  105.40  110.64   4680  2.05  -2.55  0.02  
57   84  C17  C18  N19  115.88  110.64   4680  2.05   2.55  0.03  
58   84  C6D  C5A  C9A  115.36  119.00    570  0.89  -4.08  0.02  
59   84  O5   C5D  N4   118.26  121.95     69  1.16  -3.17  0.32  
60   84  C9   C8D  C7   116.25  119.84  10000  1.33  -2.70  0.00  
61   84  C9   C9A  N10  113.59  119.42     38  1.87  -3.11  1.55  
62   84  C9   C9A  C5A  123.70  118.89    353  1.43   3.36  0.86  
63  105  C12  O2   C7   121.25  117.53  10000  1.51   2.47  0.00  
64  105  O2   C7   C6D  118.37  124.12  10000  1.72  -3.34  0.00  
65  105  C6D  C7   C8D  123.14  119.84  10000  1.33   2.49  0.00  
66  105  C9A  C9   C8D  124.59  119.49    608  1.96   2.60  0.69  
67  105  C1   C1A  N4   107.15  102.81    245  1.75   2.47  1.10  
68  105  C22  C23  N24  116.76  111.90    205  1.80   2.70  0.00  
69  105  C33  C35  C36  123.59  119.77   4979  1.52   2.51  0.01  
70  105  C34  C35  C36  117.17  120.02   5592  1.41  -2.02  0.00  
71  105  C35  C36  N24  119.77  117.03   2195  1.19   2.29  0.00  
72  105  C6D  C5A  C9A  115.06  119.00    570  0.89  -4.41  0.31  
73  105  C9   C8D  C7   112.18  119.84  10000  1.33  -5.76  0.07  
74  105  O13  C8D  C7   124.72  115.73   7658  2.07   4.35  0.06  
75  105  C9   C9A  N10  112.74  119.42     38  1.87  -3.56  2.40  
76  105  C9   C9A  C5A  122.49  118.89    353  1.43   2.51  0.01  
#
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   21  C7   C8D  O13  C13   143.66  29.94   9772  13.39  0.04  3.06  
2   42  C6D  C7   O2   C12    32.08  25.23  10000   8.92  0.10  2.87  
3   42  C8D  C7   O2   C12  -151.25  23.03  10000  10.28  0.03  2.91  
4  105  C6D  C7   O2   C12    34.21  27.24  10000   8.67  0.04  2.09  
5  105  C8D  C7   O2   C12  -139.78  33.88  10000   7.89  0.32  0.60  
6  105  C7   C8D  O13  C13   143.49  30.08   9772  13.33  0.00  3.06  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
