data_2DES

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2DES
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2DES
_pdbx_vrpt_summary.PDB_deposition_date         1993-03-16
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-14
_pdbx_vrpt_summary.report_creation_date        2024-02-07:03:16
_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      "DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')"  
2  non-polymer  "3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN"  
3  non-polymer  "SODIUM ION"  
4  non-polymer  "MAGNESIUM ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
E  3  
F  4  
G  3  
H  5  
I  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.5  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_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    6.18  141614     ?     ?  
2  2  1    0.95    3144  1.50  1.50  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    2884  1.50  1.50  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  3  2  B  1  1  B  100.00  
4  4  2  B  1  1  B  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  5.96  3.81  134  205  
2  1  1  B  B  5.71  4.55  134  205  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       24.16
_pdbx_vrpt_summary_geometry.num_H_reduce     203
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   268
_pdbx_vrpt_summary_geometry.bonds_RMSZ       4.19
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  410
_pdbx_vrpt_summary_geometry.angles_RMSZ      5.84
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 101.947
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            71.508
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         9.176
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.45(1.50A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3615
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.142
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.272
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.474
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.299
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.966
_pdbx_vrpt_summary_diffraction.DCC_R                     0.17
_pdbx_vrpt_summary_diffraction.EDS_R                     0.17
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               18.72
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[9.282,12.904,6.597,0.272,1.235,0.059]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.657
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.32% 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         9
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         65.43
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        10.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
#
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_symm_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
 1  1  1  A  1  DC   A   1  .  ?        2     4     2     ?     ?     ?     ?  
 2  1  1  A  2  DG   A   2  .  ?        6    17     ?     ?     ?     ?     ?  
 3  1  1  A  3  DT   A   3  .  ?        2    12     1     ?     ?     ?     ?  
 4  1  1  A  4  DA   A   4  .  ?        3    11     3     2     ?     ?     ?  
 5  1  1  A  5  DC   A   5  .  ?        5    12     ?     ?     ?     ?     ?  
 6  1  1  A  6  DG   A   6  .  ?        8    10     1     ?     ?     ?     ?  
 7  1  1  B  1  DC   B   7  .  ?        3     9     5     ?     ?     ?     ?  
 8  1  1  B  2  DG   B   8  .  ?       11    16     ?     ?     ?     ?     ?  
 9  1  1  B  3  DT   B   9  .  ?        4     9     1     ?     ?     ?     ?  
10  1  1  B  4  DA   B  10  .  ?        6     3     1     1     ?     ?     ?  
11  1  1  B  5  DC   B  11  .  ?        3    13     ?     ?     ?     ?     ?  
12  1  1  B  6  DG   B  12  .  ?        7    13     ?     ?     ?     ?     ?  
13  1  2  C  .  DMM  A  13  .  ?        ?     ?     5     ?    16    27     3  
14  1  2  D  .  DMM  A  14  .  ?        ?     ?     4     ?    16    17     1  
15  1  3  E  .  NA   A  17  .  ?        ?     ?     ?     ?     ?     ?     ?  
16  1  4  F  .  MG   B  15  .  ?        ?     ?     ?     ?     ?     ?     ?  
17  1  3  G  .  NA   B  16  .  ?        ?     ?     ?     ?     ?     ?     ?  
18  1  5  H  .  HOH  A  18  .  ?        ?     ?     ?     1     ?     ?     ?  
19  1  5  H  .  HOH  A  20  .  ?        ?     ?     ?     ?     ?     ?     ?  
20  1  5  H  .  HOH  A  22  .  ?        ?     ?     ?     ?     ?     ?     ?  
21  1  5  H  .  HOH  A  23  .  ?        ?     ?     ?     ?     ?     ?     ?  
22  1  5  H  .  HOH  A  24  .  ?        ?     ?     ?     ?     ?     ?     ?  
23  1  5  H  .  HOH  A  25  .  ?        ?     ?     1     ?     ?     ?     ?  
24  1  5  H  .  HOH  A  26  .  ?        ?     ?     ?     ?     ?     ?     ?  
25  1  5  H  .  HOH  A  27  .  ?        ?     ?     ?     ?     ?     ?     ?  
26  1  5  H  .  HOH  A  29  .  ?        ?     ?     ?     ?     ?     ?     ?  
27  1  5  H  .  HOH  A  31  .  ?        ?     ?     ?     ?     ?     ?     ?  
28  1  5  H  .  HOH  A  36  .  ?        ?     ?     ?     ?     ?     ?     ?  
29  1  5  H  .  HOH  A  37  .  ?        ?     ?     ?     ?     ?     ?     ?  
30  1  5  H  .  HOH  A  40  .  ?        ?     ?     ?     ?     ?     ?     ?  
31  1  5  H  .  HOH  A  42  .  ?        ?     ?     ?     ?     ?     ?     ?  
32  1  5  H  .  HOH  A  43  .  ?        ?     ?     ?     ?     ?     ?     ?  
33  1  5  H  .  HOH  A  45  .  ?        ?     ?     ?     ?     ?     ?     ?  
34  1  5  H  .  HOH  A  47  .  ?        ?     ?     ?     ?     ?     ?     ?  
35  1  5  H  .  HOH  A  48  .  ?        ?     ?     ?     ?     ?     ?     ?  
36  1  5  H  .  HOH  A  55  .  ?        ?     ?     ?     ?     ?     ?     ?  
37  1  5  H  .  HOH  A  57  .  ?        ?     ?     ?     ?     ?     ?     ?  
38  1  5  H  .  HOH  A  60  .  ?        ?     ?     ?     ?     ?     ?     ?  
39  1  5  H  .  HOH  A  63  .  ?        ?     ?     ?     ?     ?     ?     ?  
40  1  5  H  .  HOH  A  64  .  ?        ?     ?     1     ?     ?     ?     ?  
41  1  5  H  .  HOH  A  67  .  ?        ?     ?     ?     ?     ?     ?     ?  
42  1  5  H  .  HOH  A  69  .  ?        ?     ?     ?     ?     ?     ?     ?  
43  1  5  H  .  HOH  A  70  .  ?        ?     ?     ?     ?     ?     ?     ?  
44  1  5  H  .  HOH  A  72  .  ?        ?     ?     ?     ?     ?     ?     ?  
45  1  5  H  .  HOH  A  73  .  ?        ?     ?     ?     ?     ?     ?     ?  
46  1  5  H  .  HOH  A  74  .  ?        ?     ?     ?     ?     ?     ?     ?  
47  1  5  H  .  HOH  A  75  .  ?        ?     ?     ?     ?     ?     ?     ?  
48  1  5  H  .  HOH  A  77  .  ?        ?     ?     ?     ?     ?     ?     ?  
49  1  5  H  .  HOH  A  78  .  ?        ?     ?     ?     ?     ?     ?     ?  
50  1  5  H  .  HOH  A  79  .  ?        ?     ?     ?     ?     ?     ?     ?  
51  1  5  H  .  HOH  A  80  .  ?        ?     ?     ?     ?     ?     ?     ?  
52  1  5  H  .  HOH  A  81  .  ?        ?     ?     ?     ?     ?     ?     ?  
53  1  5  H  .  HOH  A  84  .  ?        ?     ?     1     ?     ?     ?     ?  
54  1  5  H  .  HOH  A  85  .  ?        ?     ?     ?     ?     ?     ?     ?  
55  1  5  H  .  HOH  A  86  .  ?        ?     ?     ?     ?     ?     ?     ?  
56  1  5  H  .  HOH  A  87  .  ?        ?     ?     ?     ?     ?     ?     ?  
57  1  5  H  .  HOH  A  88  .  ?        ?     ?     ?     ?     ?     ?     ?  
58  1  5  H  .  HOH  A  89  .  ?        ?     ?     ?     ?     ?     ?     ?  
59  1  5  H  .  HOH  A  90  .  ?        ?     ?     ?     ?     ?     ?     ?  
60  1  5  H  .  HOH  A  91  .  ?        ?     ?     ?     ?     ?     ?     ?  
61  1  5  H  .  HOH  A  92  .  ?        ?     ?     ?     ?     ?     ?     ?  
62  1  5  H  .  HOH  A  93  .  ?        ?     ?     ?     ?     ?     ?     ?  
63  1  5  H  .  HOH  A  95  .  ?        ?     ?     ?     ?     ?     ?     ?  
64  1  5  H  .  HOH  A  96  .  ?        ?     ?     ?     ?     ?     ?     ?  
65  1  5  I  .  HOH  B  19  .  ?        ?     ?     ?     2     ?     ?     ?  
66  1  5  I  .  HOH  B  21  .  ?        ?     ?     ?     ?     ?     ?     ?  
67  1  5  I  .  HOH  B  28  .  ?        ?     ?     ?     ?     ?     ?     ?  
68  1  5  I  .  HOH  B  30  .  ?        ?     ?     ?     ?     ?     ?     ?  
69  1  5  I  .  HOH  B  32  .  ?        ?     ?     ?     ?     ?     ?     ?  
70  1  5  I  .  HOH  B  33  .  ?        ?     ?     ?     ?     ?     ?     ?  
71  1  5  I  .  HOH  B  34  .  ?        ?     ?     ?     ?     ?     ?     ?  
72  1  5  I  .  HOH  B  35  .  ?        ?     ?     ?     ?     ?     ?     ?  
73  1  5  I  .  HOH  B  38  .  ?        ?     ?     ?     ?     ?     ?     ?  
74  1  5  I  .  HOH  B  39  .  ?        ?     ?     ?     ?     ?     ?     ?  
75  1  5  I  .  HOH  B  41  .  ?        ?     ?     ?     ?     ?     ?     ?  
76  1  5  I  .  HOH  B  44  .  ?        ?     ?     ?     ?     ?     ?     ?  
77  1  5  I  .  HOH  B  46  .  ?        ?     ?     ?     ?     ?     ?     ?  
78  1  5  I  .  HOH  B  49  .  ?        ?     ?     ?     ?     ?     ?     ?  
79  1  5  I  .  HOH  B  50  .  ?        ?     ?     ?     ?     ?     ?     ?  
80  1  5  I  .  HOH  B  51  .  ?        ?     ?     ?     ?     ?     ?     ?  
81  1  5  I  .  HOH  B  52  .  ?        ?     ?     ?     ?     ?     ?     ?  
82  1  5  I  .  HOH  B  53  .  ?        ?     ?     ?     ?     ?     ?     ?  
83  1  5  I  .  HOH  B  54  .  ?        ?     ?     ?     ?     ?     ?     ?  
84  1  5  I  .  HOH  B  56  .  ?        ?     ?     ?     ?     ?     ?     ?  
85  1  5  I  .  HOH  B  58  .  ?        ?     ?     ?     ?     ?     ?     ?  
86  1  5  I  .  HOH  B  59  .  ?        ?     ?     ?     ?     ?     ?     ?  
87  1  5  I  .  HOH  B  61  .  ?        ?     ?     ?     ?     ?     ?     ?  
88  1  5  I  .  HOH  B  62  .  ?        ?     ?     ?     ?     ?     ?     ?  
89  1  5  I  .  HOH  B  65  .  ?        ?     ?     ?     ?     ?     ?     ?  
90  1  5  I  .  HOH  B  66  .  ?        ?     ?     ?     ?     ?     ?     ?  
91  1  5  I  .  HOH  B  68  .  ?        ?     ?     ?     ?     ?     ?     ?  
92  1  5  I  .  HOH  B  71  .  ?        ?     ?     ?     ?     ?     ?     ?  
93  1  5  I  .  HOH  B  76  .  ?        ?     ?     ?     ?     ?     ?     ?  
94  1  5  I  .  HOH  B  82  .  ?        ?     ?     ?     ?     ?     ?     ?  
95  1  5  I  .  HOH  B  83  .  ?        ?     ?     ?     ?     ?     ?     ?  
96  1  5  I  .  HOH  B  94  .  ?        ?     ?     ?     ?     ?     ?     ?  
#
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.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  14.700    18  2.95    28  5.28  molprobity  1.000  
 2   2     9  13.320    25  4.20    39  6.81  molprobity  1.000  
 3   3    12  12.370    22  3.11    34  4.58  molprobity  1.000  
 4   4    11   9.870    24  3.69    37  5.58  molprobity  1.000  
 5   5    11   8.740    21  4.03    32  6.30  molprobity  1.000  
 6   6    10  10.330    24  4.39    35  6.69  molprobity  1.000  
 7   7    12  10.750    18  3.50    28  4.98  molprobity  1.000  
 8   8     8  10.040    25  6.70    39  7.77  molprobity  1.000  
 9   9    12  12.380    22  3.43    34  5.27  molprobity  1.000  
10  10    11  10.030    24  3.85    37  3.03  molprobity  1.000  
11  11    11  10.350    21  3.78    32  6.14  molprobity  1.000  
12  12    10  12.740    24  4.62    35  5.73  molprobity  1.000  
13  13    37  10.340    49  2.81    64  3.29  mogul       1.000  
14  14    37   9.040    49  2.61    64  2.82  mogul       1.000  
15  15     ?  39.930     ?     ?     ?     ?  ?           1.000  
16  16     ?  31.030     ?     ?     ?     ?  ?           1.000  
17  17     ?  32.450     ?     ?     ?     ?  ?           1.000  
18  18     ?  13.130     ?     ?     ?     ?  ?           1.000  
19  19     ?  16.330     ?     ?     ?     ?  ?           1.000  
20  20     ?  20.450     ?     ?     ?     ?  ?           1.000  
21  21     ?  20.860     ?     ?     ?     ?  ?           1.000  
22  22     ?  21.020     ?     ?     ?     ?  ?           1.000  
23  23     ?  21.440     ?     ?     ?     ?  ?           1.000  
24  24     ?  22.120     ?     ?     ?     ?  ?           1.000  
25  25     ?  22.600     ?     ?     ?     ?  ?           1.000  
26  26     ?  22.960     ?     ?     ?     ?  ?           1.000  
27  27     ?  23.070     ?     ?     ?     ?  ?           1.000  
28  28     ?  25.460     ?     ?     ?     ?  ?           1.000  
29  29     ?  26.710     ?     ?     ?     ?  ?           1.000  
30  30     ?  27.820     ?     ?     ?     ?  ?           1.000  
31  31     ?  29.320     ?     ?     ?     ?  ?           1.000  
32  32     ?  29.500     ?     ?     ?     ?  ?           1.000  
33  33     ?  30.440     ?     ?     ?     ?  ?           1.000  
34  34     ?  30.570     ?     ?     ?     ?  ?           1.000  
35  35     ?  30.760     ?     ?     ?     ?  ?           1.000  
36  36     ?  31.970     ?     ?     ?     ?  ?           1.000  
37  37     ?  32.080     ?     ?     ?     ?  ?           1.000  
38  38     ?  32.860     ?     ?     ?     ?  ?           1.000  
39  39     ?  33.130     ?     ?     ?     ?  ?           1.000  
40  40     ?  33.320     ?     ?     ?     ?  ?           1.000  
41  41     ?  34.760     ?     ?     ?     ?  ?           1.000  
42  42     ?  35.260     ?     ?     ?     ?  ?           1.000  
43  43     ?  35.940     ?     ?     ?     ?  ?           1.000  
44  44     ?  37.460     ?     ?     ?     ?  ?           1.000  
45  45     ?  37.650     ?     ?     ?     ?  ?           1.000  
46  46     ?  37.910     ?     ?     ?     ?  ?           1.000  
47  47     ?  38.250     ?     ?     ?     ?  ?           1.000  
48  48     ?  38.580     ?     ?     ?     ?  ?           1.000  
49  49     ?  38.600     ?     ?     ?     ?  ?           1.000  
50  50     ?  38.750     ?     ?     ?     ?  ?           1.000  
51  51     ?  38.890     ?     ?     ?     ?  ?           1.000  
52  52     ?  39.390     ?     ?     ?     ?  ?           1.000  
53  53     ?  39.830     ?     ?     ?     ?  ?           1.000  
54  54     ?  39.920     ?     ?     ?     ?  ?           1.000  
55  55     ?  39.960     ?     ?     ?     ?  ?           1.000  
56  56     ?  40.230     ?     ?     ?     ?  ?           1.000  
57  57     ?  40.630     ?     ?     ?     ?  ?           1.000  
58  58     ?  40.750     ?     ?     ?     ?  ?           1.000  
59  59     ?  40.940     ?     ?     ?     ?  ?           1.000  
60  60     ?  41.030     ?     ?     ?     ?  ?           1.000  
61  61     ?  41.930     ?     ?     ?     ?  ?           1.000  
62  62     ?  41.990     ?     ?     ?     ?  ?           1.000  
63  63     ?  44.200     ?     ?     ?     ?  ?           1.000  
64  64     ?  44.980     ?     ?     ?     ?  ?           1.000  
65  65     ?  14.660     ?     ?     ?     ?  ?           1.000  
66  66     ?  18.640     ?     ?     ?     ?  ?           1.000  
67  67     ?  22.600     ?     ?     ?     ?  ?           1.000  
68  68     ?  23.040     ?     ?     ?     ?  ?           1.000  
69  69     ?  24.140     ?     ?     ?     ?  ?           1.000  
70  70     ?  24.170     ?     ?     ?     ?  ?           1.000  
71  71     ?  24.540     ?     ?     ?     ?  ?           1.000  
72  72     ?  24.910     ?     ?     ?     ?  ?           1.000  
73  73     ?  27.000     ?     ?     ?     ?  ?           1.000  
74  74     ?  27.100     ?     ?     ?     ?  ?           1.000  
75  75     ?  28.650     ?     ?     ?     ?  ?           1.000  
76  76     ?  30.320     ?     ?     ?     ?  ?           1.000  
77  77     ?  30.530     ?     ?     ?     ?  ?           1.000  
78  78     ?  30.800     ?     ?     ?     ?  ?           1.000  
79  79     ?  30.900     ?     ?     ?     ?  ?           1.000  
80  80     ?  31.100     ?     ?     ?     ?  ?           1.000  
81  81     ?  31.130     ?     ?     ?     ?  ?           1.000  
82  82     ?  31.450     ?     ?     ?     ?  ?           1.000  
83  83     ?  31.630     ?     ?     ?     ?  ?           1.000  
84  84     ?  32.050     ?     ?     ?     ?  ?           1.000  
85  85     ?  32.380     ?     ?     ?     ?  ?           1.000  
86  86     ?  32.770     ?     ?     ?     ?  ?           1.000  
87  87     ?  33.080     ?     ?     ?     ?  ?           1.000  
88  88     ?  33.110     ?     ?     ?     ?  ?           1.000  
89  89     ?  34.010     ?     ?     ?     ?  ?           1.000  
90  90     ?  34.190     ?     ?     ?     ?  ?           1.000  
91  91     ?  34.990     ?     ?     ?     ?  ?           1.000  
92  92     ?  36.010     ?     ?     ?     ?  ?           1.000  
93  93     ?  38.480     ?     ?     ?     ?  ?           1.000  
94  94     ?  39.390     ?     ?     ?     ?  ?           1.000  
95  95     ?  39.680     ?     ?     ?     ?  ?           1.000  
96  96     ?  43.900     ?     ?     ?     ?  ?           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   1  "H5''"   1  0.64  2.32  
 2   1  C6       1  0.64  2.32  
 3   3  "H2'"    2  0.58  2.39  
 4   4  N3       3  0.82  1.95  
 5   4  C2       4  0.64  2.33  
 6   4  C8       2  0.58  2.39  
 7   6  N2       5  0.48  2.46  
 8   7  "H5'"    6  0.72  1.54  
 9   7  "H5'"    7  0.61  2.34  
10   7  H6       6  0.72  1.54  
11   7  C6       7  0.61  2.34  
12   7  "H2'"    8  0.52  2.10  
13   9  "H2''"   9  0.43  2.18  
14  10  "O5'"    9  0.43  2.18  
15  13  H213    10  0.91  1.69  
16  13  H331    11  0.56  2.05  
17  13  H733    12  0.51  1.91  
18  13  O6      13  0.42  2.36  
19  13  O8      13  0.42  2.36  
20  14  H632     3  0.82  1.95  
21  14  H632     4  0.64  2.33  
22  14  O17      8  0.52  2.10  
23  14  H733    12  0.51  1.91  
24  23  O       11  0.56  2.05  
25  40  O       10  0.91  1.69  
26  53  O        5  0.48  2.46  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1   4  OP2  0  1_555  0.64  1.56  
2   4  P    1  1_555  0.08  2.12  
3  10  OP2  2  1_555  0.22  1.98  
4  18  O    2  1_455  0.22  1.98  
5  65  O    0  1_655  0.64  1.56  
6  65  O    1  1_655  0.08  2.12  
#
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
 1   1  "C3'"  "O3'"  1.365  1.435  0.013   -5.41  
 2   1  "C4'"  "C3'"  1.579  1.529  0.010    5.02  
 3   2  C2     N2     1.232  1.341  0.010  -10.87  
 4   2  C6     N1     1.332  1.391  0.007   -8.42  
 5   2  N1     C2     1.332  1.373  0.008   -5.14  
 6   2  N3     C4     1.310  1.350  0.007   -5.72  
 7   2  N7     C5     1.353  1.388  0.006   -5.80  
 8   2  P      "O5'"  1.645  1.593  0.010    5.16  
 9   3  "C4'"  "C3'"  1.588  1.529  0.010    5.85  
10   3  P      OP1    1.385  1.485  0.017   -5.87  
11   4  "C2'"  "C1'"  1.595  1.519  0.010    7.63  
12   4  "C5'"  "C4'"  1.445  1.509  0.011   -5.81  
13   4  C5     C6     1.462  1.406  0.009    6.22  
14   5  "C2'"  "C1'"  1.620  1.519  0.010   10.13  
15   5  "C3'"  "O3'"  1.353  1.435  0.013   -6.34  
16   5  "C4'"  "C3'"  1.597  1.529  0.010    6.78  
17   5  N3     C4     1.374  1.335  0.007    5.60  
18   5  P      OP1    1.396  1.485  0.017   -5.25  
19   6  C2     N2     1.234  1.341  0.010  -10.67  
20   6  "C3'"  "O3'"  1.362  1.435  0.013   -5.65  
21   6  C5     C4     1.342  1.379  0.007   -5.25  
22   6  C6     N1     1.348  1.391  0.007   -6.11  
23   6  N1     C2     1.330  1.373  0.008   -5.42  
24   6  N7     C5     1.347  1.388  0.006   -6.78  
25   6  N9     C8     1.319  1.374  0.007   -7.89  
26   6  "O4'"  "C1'"  1.495  1.418  0.012    6.45  
27   7  "C2'"  "C1'"  1.574  1.519  0.010    5.54  
28   7  "C4'"  "C3'"  1.606  1.529  0.010    7.71  
29   7  N3     C4     1.382  1.335  0.007    6.69  
30   8  "C2'"  "C1'"  1.602  1.519  0.010    8.30  
31   8  C2     N2     1.221  1.341  0.010  -11.96  
32   8  C2     N3     1.369  1.323  0.008    5.74  
33   8  "C4'"  "O4'"  1.389  1.446  0.010   -5.67  
34   8  C6     N1     1.278  1.391  0.007  -16.08  
35   8  N7     C5     1.326  1.388  0.006  -10.37  
36   8  N9     C4     1.434  1.375  0.008    7.36  
37   8  N9     C8     1.282  1.374  0.007  -13.17  
38   8  "O4'"  "C1'"  1.358  1.418  0.012   -5.01  
39   8  P      "O5'"  1.675  1.593  0.010    8.15  
40   8  P      OP2    1.381  1.485  0.017   -6.14  
41   9  "C3'"  "O3'"  1.338  1.435  0.013   -7.43  
42   9  "C4'"  "O4'"  1.392  1.446  0.010   -5.38  
43   9  "C5'"  "C4'"  1.564  1.509  0.011    5.03  
44   9  P      OP1    1.397  1.485  0.017   -5.18  
45  10  "C1'"  N9     1.386  1.468  0.014   -5.85  
46  10  "C2'"  "C1'"  1.580  1.519  0.010    6.14  
47  10  "C3'"  "O3'"  1.364  1.435  0.013   -5.44  
48  10  "C4'"  "C3'"  1.600  1.529  0.010    7.08  
49  10  "C4'"  "O4'"  1.371  1.446  0.010   -7.47  
50  10  N3     C4     1.380  1.344  0.006    5.98  
51  11  "C2'"  "C1'"  1.592  1.519  0.010    7.27  
52  11  C4     C5     1.373  1.425  0.008   -6.56  
53  11  N3     C4     1.407  1.335  0.007   10.27  
54  12  C2     N2     1.245  1.341  0.010   -9.57  
55  12  "C4'"  "C3'"  1.598  1.529  0.010    6.95  
56  12  "C5'"  "C4'"  1.438  1.509  0.011   -6.45  
57  12  C6     N1     1.308  1.391  0.007  -11.80  
58  12  N1     C2     1.329  1.373  0.008   -5.51  
59  12  N7     C5     1.351  1.388  0.006   -6.17  
60  12  N9     C8     1.331  1.374  0.007   -6.21  
#
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  C2     N3     C4     126.550  119.900  0.500   13.30  ?     
  2   1  N3     C4     C5     114.643  121.900  0.400  -18.14  ?     
  3   1  N3     C4     N4     122.593  118.000  0.700    6.56  ?     
  4   1  "O4'"  "C4'"  "C3'"  100.838  106.000  0.600   -8.60  ?     
  5   2  P      "O3'"  "C3'"  129.767  119.700  1.200    8.39  Y     
  6   2  C4     C5     C6     114.453  118.800  0.600   -7.24  ?     
  7   2  C5     C6     N1     119.779  111.500  0.500   16.56  ?     
  8   2  C5     C6     O6     123.077  128.600  0.600   -9.21  ?     
  9   2  C6     C5     N7     135.109  130.400  0.600    7.85  ?     
 10   2  C6     N1     C2     118.121  125.100  0.600  -11.63  ?     
 11   2  C8     N9     C4     109.286  106.400  0.400    7.21  ?     
 12   2  N1     C2     N2     121.838  116.200  0.900    6.26  ?     
 13   2  N1     C2     N3     127.508  123.900  0.600    6.01  ?     
 14   2  N3     C2     N2     110.593  119.900  0.700  -13.30  ?     
 15   2  N3     C4     N9     129.444  126.000  0.600    5.74  ?     
 16   2  N7     C8     N9     109.874  113.100  0.500   -6.45  ?     
 17   2  "O4'"  "C1'"  "C2'"  101.797  105.900  0.800   -5.13  ?     
 18   2  "O4'"  "C1'"  N9     115.705  108.000  0.700   11.01  ?     
 19   2  "O4'"  "C4'"  "C3'"  101.494  106.000  0.600   -7.51  ?     
 20   2  "O5'"  P      OP1    122.969  110.700  1.200   10.22  ?     
 21   2  "O5'"  P      OP2     93.117  105.700  0.900  -13.98  ?     
 22   3  OP1    P      "O3'"   93.917  105.200  2.200   -5.13  Y     
 23   3  P      "O3'"  "C3'"  113.358  119.700  1.200   -5.29  Y     
 24   3  "C4'"  "C3'"  "C2'"  108.478  103.100  0.900    5.97  ?     
 25   3  "C4'"  "C3'"  "O3'"   94.008  109.700  2.500   -6.28  ?     
 26   3  C4     C5     C7     122.971  119.000  0.600    6.62  ?     
 27   3  C5     C6     N1     120.626  123.700  0.600   -5.12  ?     
 28   3  C6     C5     C7     119.809  122.900  0.600   -5.15  ?     
 29   3  N3     C4     C5     118.688  115.200  0.600    5.81  ?     
 30   3  "O4'"  "C1'"  "C2'"  113.875  105.900  0.800    9.97  ?     
 31   3  "O4'"  "C1'"  N1     100.951  108.000  0.700  -10.07  ?     
 32   3  "O5'"  P      OP2    118.424  110.700  1.200    6.44  ?     
 33   3  OP1    P      OP2    128.574  119.600  1.500    5.98  ?     
 34   4  C4     C5     N7     114.494  110.700  0.500    7.59  ?     
 35   4  C5     C6     N1     114.634  117.700  0.500   -6.13  ?     
 36   4  C6     N1     C2     126.682  118.600  0.600   13.47  ?     
 37   4  N1     C2     N3     122.170  129.300  0.500  -14.26  ?     
 38   4  N1     C6     N6     123.233  118.600  0.600    7.72  ?     
 39   4  N9     C4     C5     102.919  105.800  0.400   -7.20  ?     
 40   4  "O4'"  "C1'"  "C2'"   96.790  105.900  0.800  -11.39  ?     
 41   4  "O4'"  "C1'"  N9     103.143  108.000  0.700   -6.94  ?     
 42   4  "O5'"  "C5'"  "C4'"  123.544  111.000  2.500    5.02  ?     
 43   4  "O5'"  P      OP2    125.267  110.700  1.200   12.14  ?     
 44   4  P      "O5'"  "C5'"  133.096  120.900  1.600    7.62  ?     
 45   5  "O3'"  P      "O5'"  113.747  104.000  1.900    5.13  Y     
 46   5  P      "O3'"  "C3'"  134.454  119.700  1.200   12.29  Y     
 47   5  "C1'"  "O4'"  "C4'"  103.235  110.100  1.000   -6.87  ?     
 48   5  C2     N3     C4     126.431  119.900  0.500   13.06  ?     
 49   5  C5     C6     N1     124.836  121.000  0.500    7.67  ?     
 50   5  C6     N1     C2     117.305  120.300  0.400   -7.49  ?     
 51   5  N3     C2     O2     126.079  121.900  0.700    5.97  ?     
 52   5  N3     C4     C5     114.064  121.900  0.400  -19.59  ?     
 53   5  N3     C4     N4     124.313  118.000  0.700    9.02  ?     
 54   5  "O4'"  "C1'"  N1     113.420  108.000  0.700    7.74  ?     
 55   5  "O5'"  P      OP2    118.132  110.700  1.200    6.19  ?     
 56   5  P      "O5'"  "C5'"  129.038  120.900  1.600    5.09  ?     
 57   6  C2     N3     C4     107.797  111.900  0.500   -8.21  ?     
 58   6  C5     C6     N1     117.697  111.500  0.500   12.39  ?     
 59   6  C5     C6     O6     122.701  128.600  0.600   -9.83  ?     
 60   6  C6     N1     C2     116.984  125.100  0.600  -13.53  ?     
 61   6  C8     N9     C4     104.392  106.400  0.400   -5.02  ?     
 62   6  N1     C2     N2     124.483  116.200  0.900    9.20  ?     
 63   6  N1     C2     N3     131.960  123.900  0.600   13.43  ?     
 64   6  N3     C2     N2     103.412  119.900  0.700  -23.55  ?     
 65   6  N9     "C1'"  "C2'"  123.464  112.600  1.900    5.72  ?     
 66   6  "O4'"  "C1'"  N9     102.254  108.000  0.700   -8.21  ?     
 67   7  P      "O3'"  "C3'"  126.715  119.700  1.200    5.85  Y     
 68   7  "C5'"  "C4'"  "C3'"  124.177  114.100  1.800    5.60  ?     
 69   7  C5     C4     N4     124.705  120.200  0.700    6.44  ?     
 70   7  N1     C2     O2     126.905  118.900  0.600   13.34  ?     
 71   7  N3     C2     O2     115.605  121.900  0.700   -8.99  ?     
 72   7  N3     C4     C5     119.780  121.900  0.400   -5.30  ?     
 73   7  "O4'"  "C1'"  N1     102.500  108.000  0.700   -7.86  ?     
 74   7  "O4'"  "C4'"  "C3'"  100.627  106.000  0.600   -8.96  ?     
 75   7  "O5'"  "C5'"  "C4'"   95.915  111.000  2.500   -6.03  ?     
 76   8  "O3'"  P      "O5'"  115.783  104.000  1.900    6.20  Y     
 77   8  OP2    P      "O3'"   91.648  105.200  2.200   -6.16  Y     
 78   8  P      "O3'"  "C3'"  142.665  119.700  1.200   19.14  Y     
 79   8  C4     C5     C6     115.068  118.800  0.600   -6.22  ?     
 80   8  C4     N9     "C1'"  118.853  126.500  1.300   -5.88  ?     
 81   8  C5     C6     N1     118.895  111.500  0.500   14.79  ?     
 82   8  C5     C6     O6     122.703  128.600  0.600   -9.83  ?     
 83   8  C6     N1     C2     121.530  125.100  0.600   -5.95  ?     
 84   8  C8     N9     "C1'"  134.402  127.000  1.300    5.69  ?     
 85   8  N1     C2     N2     126.195  116.200  0.900   11.11  ?     
 86   8  N3     C2     N2     107.377  119.900  0.700  -17.89  ?     
 87   8  N9     C4     C5     103.022  105.400  0.400   -5.95  ?     
 88   8  "O4'"  "C1'"  N9     124.832  108.000  0.700   24.05  ?     
 89   8  "O5'"  P      OP2     97.357  105.700  0.900   -9.27  ?     
 90   8  OP1    P      OP2    132.954  119.600  1.500    8.90  ?     
 91   8  P      "O5'"  "C5'"  111.325  120.900  1.600   -5.99  ?     
 92   9  "O3'"  P      "O5'"  116.875  104.000  1.900    6.78  Y     
 93   9  P      "O3'"  "C3'"  112.105  119.700  1.200   -6.33  Y     
 94   9  "C4'"  "C3'"  "O3'"   96.162  109.700  2.500   -5.42  ?     
 95   9  "C5'"  "C4'"  "C3'"   99.028  114.100  1.800   -8.37  ?     
 96   9  N1     "C1'"  "C2'"  122.497  112.600  1.900    5.21  ?     
 97   9  "O4'"  "C1'"  N1      98.892  108.000  0.700  -13.01  ?     
 98   9  "O5'"  P      OP1     94.194  105.700  0.900  -12.78  ?     
 99   9  "O5'"  P      OP2    122.524  110.700  1.200    9.85  ?     
100   9  P      "O5'"  "C5'"  102.278  120.900  1.600  -11.64  ?     
101  10  "C4'"  "C3'"  "C2'"  108.592  103.100  0.900    6.10  ?     
102  10  N1     C2     N3     132.118  129.300  0.500    5.63  ?     
103  10  P      "O5'"  "C5'"  106.777  120.900  1.600   -8.83  ?     
104  11  "O3'"  P      "O5'"  117.266  104.000  1.900    6.98  Y     
105  11  C2     N3     C4     124.020  119.900  0.500    8.24  ?     
106  11  "C3'"  "C2'"  "C1'"   95.749  102.500  1.200   -5.63  ?     
107  11  C4     C5     C6     120.777  117.400  0.500    6.75  ?     
108  11  C5     C4     N4     126.777  120.200  0.700    9.40  ?     
109  11  "C5'"  "C4'"  "O4'"   98.643  109.300  1.900   -5.61  ?     
110  11  N1     C2     O2     122.587  118.900  0.600    6.14  ?     
111  11  N3     C4     C5     115.938  121.900  0.400  -14.90  ?     
112  11  "O4'"  "C1'"  "C2'"   99.581  105.900  0.800   -7.90  ?     
113  11  "O4'"  "C1'"  N1     114.105  108.000  0.700    8.72  ?     
114  11  "O5'"  P      OP1     98.036  105.700  0.900   -8.52  ?     
115  11  "O5'"  P      OP2    129.782  110.700  1.200   15.90  ?     
116  11  P      "O5'"  "C5'"  129.167  120.900  1.600    5.17  ?     
117  12  "C4'"  "C3'"  "C2'"   94.023  103.100  0.900  -10.09  ?     
118  12  C4     C5     C6     114.337  118.800  0.600   -7.44  ?     
119  12  C4     C5     N7     112.978  110.800  0.400    5.44  ?     
120  12  C5     C6     N1     118.762  111.500  0.500   14.52  ?     
121  12  C5     C6     O6     121.630  128.600  0.600  -11.62  ?     
122  12  C6     N1     C2     122.035  125.100  0.600   -5.11  ?     
123  12  N1     C2     N2     120.903  116.200  0.900    5.23  ?     
124  12  N3     C2     N2     114.675  119.900  0.700   -7.46  ?     
125  12  N3     C4     N9     130.806  126.000  0.600    8.01  ?     
126  12  N9     C4     C5     102.493  105.400  0.400   -7.27  ?     
127  12  "O4'"  "C4'"  "C3'"  100.236  106.000  0.600   -9.61  ?     
128  12  "O5'"  P      OP1     97.055  105.700  0.900   -9.61  ?     
129  12  "O5'"  P      OP2    121.103  110.700  1.200    8.67  ?     
#
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  13  C3     C4     1.44  1.39  10000  0.02   2.28  0.00  
 2  13  O4     C21    1.29  1.42  10000  0.03  -4.52  0.00  
 3  13  C5     C6     1.40  1.47   1928  0.02  -3.13  0.00  
 4  13  O6     C6     1.38  1.22   7563  0.02   8.56  0.00  
 5  13  C7     C6     1.37  1.47   1928  0.02  -4.44  0.00  
 6  13  O12    C12    1.47  1.43    467  0.02   2.39  0.00  
 7  13  O13    C13    1.36  1.21   5231  0.02   9.27  0.02  
 8  13  C18    C19    1.40  1.47   1928  0.02  -2.86  0.00  
 9  13  O19    C19    1.33  1.22   7563  0.02   5.85  0.00  
10  13  C20    C19    1.39  1.48   4297  0.02  -4.29  0.00  
11  13  "C4'"  "C3'"  1.61  1.53    199  0.02   3.75  0.00  
12  13  "C3'"  "N3'"  1.41  1.48    287  0.02  -2.96  0.00  
13  13  "O5'"  "C5'"  1.51  1.44    937  0.02   2.84  0.00  
14  13  O16    C23    1.48  1.41    204  0.03   2.37  0.01  
15  13  O23    C23    1.46  1.40    375  0.02   2.43  0.00  
16  13  O16    C63    1.58  1.44   1287  0.02   6.07  0.02  
17  14  C1     C20    1.36  1.39  10000  0.02  -2.16  0.00  
18  14  C5     C6     1.38  1.47   1928  0.02  -3.75  0.00  
19  14  O6     C6     1.38  1.22   7563  0.02   8.79  0.00  
20  14  C7     C6     1.41  1.47   1928  0.02  -2.56  0.00  
21  14  C9     C10    1.47  1.51    105  0.02  -2.11  0.00  
22  14  C11    C12    1.59  1.53     91  0.02   2.89  0.02  
23  14  O13    C13    1.38  1.21   5231  0.02  10.22  0.00  
24  14  C18    C19    1.40  1.47   1928  0.02  -3.09  0.00  
25  14  O19    C19    1.31  1.22   7563  0.02   4.86  0.00  
26  14  C20    C19    1.40  1.48   4297  0.02  -3.62  0.00  
27  14  "C2'"  "C1'"  1.56  1.51    457  0.02   2.43  0.00  
28  14  "C2'"  "C3'"  1.58  1.53    608  0.02   2.11  0.00  
29  14  "O5'"  "C5'"  1.49  1.44    937  0.02   2.22  0.00  
30  14  C53    "N3'"  1.42  1.47   2750  0.02  -2.45  0.00  
31  14  O16    C63    1.51  1.44   1287  0.02   2.96  0.00  
32  14  C53    C63    1.41  1.50   7316  0.04  -2.27  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  13  O4     C4     C3     115.39  124.37  10000  1.71  -5.24  0.08  
 2  13  O4     C4     C5     123.66  115.85   1438  1.39   5.61  0.91  
 3  13  C21    O4     C4     136.73  117.53  10000  1.51  12.72  1.10  
 4  13  C4     C5     C6     125.30  122.21    331  1.38   2.23  0.04  
 5  13  O6     C6     C7     118.17  121.43   1928  1.62  -2.01  0.06  
 6  13  C8     C9     C10    114.09  118.59     20  1.57  -2.87  2.45  
 7  13  C8     C9     C16    123.90  119.76     35  1.97   2.10  1.06  
 8  13  O13    C13    C12    125.95  122.09    113  1.61   2.40  0.43  
 9  13  C14    C13    C12    108.82  117.73     44  1.14  -7.82  5.64  
10  13  O13    C13    C14    125.23  119.71     95  1.90   2.91  2.02  
11  13  C17    C18    C19    116.00  120.45    187  1.68  -2.66  0.38  
12  13  C20    C19    C18    114.78  118.00    921  1.58  -2.04  0.05  
13  13  C1     C20    C5     123.11  120.19   1879  1.44   2.03  0.00  
14  13  C1     C20    C19    112.58  119.25   3356  1.63  -4.11  0.12  
15  13  C5     C20    C19    124.27  120.71   1073  1.34   2.66  0.01  
16  13  "O5'"  "C1'"  "C2'"  123.32  110.87    276  1.51   8.25  8.12  
17  13  "C2'"  "C3'"  "N3'"  106.55  115.28    135  3.00  -2.91  1.47  
18  13  "O4'"  "C4'"  "C3'"  104.04  109.77    199  1.78  -3.21  0.33  
19  13  "O5'"  "C5'"  "C4'"  104.69  109.52    273  1.79  -2.70  1.03  
20  13  "C6'"  "C5'"  "C4'"  121.07  113.07    277  1.85   4.33  1.78  
21  13  "O5'"  "C5'"  "C6'"  101.98  106.70    937  2.16  -2.19  0.13  
22  13  C53    "N3'"  "C3'"  129.98  113.25    135  3.13   5.34  5.05  
23  13  C53    "N3'"  C33    112.28  108.19    248  0.99   4.15  0.68  
24  13  O23    C23    C33    104.07  108.45     31  1.39  -3.16  1.32  
25  13  O16    C63    C53    105.15  110.67     71  1.38  -3.98  2.81  
26  13  C63    C53    "N3'"  119.17  109.66    470  0.96   9.94  4.26  
27  13  C73    O23    C23    108.96  113.94    375  2.05  -2.43  0.07  
28  14  O4     C4     C3     113.49  124.37  10000  1.71  -6.35  0.26  
29  14  O4     C4     C5     124.50  115.85   1438  1.39   6.21  0.33  
30  14  O6     C6     C5     116.42  121.43   1928  1.62  -3.09  0.05  
31  14  C7     C6     C5     124.50  118.12    503  1.72   3.72  1.40  
32  14  C18    C7     C6     115.98  120.01    597  1.35  -2.98  0.07  
33  14  C11    C10    C9     116.80  110.68     46  2.37   2.59  0.84  
34  14  O12    C12    C11    118.18  109.41     79  2.26   3.88  4.49  
35  14  C14    C13    C12    121.22  117.73     44  1.14   3.06  0.36  
36  14  O19    C19    C20    116.22  120.91   4297  1.47  -3.20  0.01  
37  14  "O5'"  "C1'"  "C2'"  114.86  110.87    276  1.51   2.64  0.06  
38  14  "O4'"  "C4'"  "C3'"  116.48  109.77    199  1.78   3.76  0.80  
39  14  "O4'"  "C4'"  "C5'"   99.78  109.67    277  2.22  -4.46  1.68  
40  14  C53    "N3'"  C33    114.53  108.19    248  0.99   6.42  2.93  
41  14  O23    C23    C33    115.60  108.45     31  1.39   5.16  2.52  
42  14  C63    O16    C23    125.74  111.21    131  2.83   5.14  3.87  
43  14  C63    C53    "N3'"  121.49  109.66    470  0.96  12.36  6.58  
44  14  C73    O23    C23    120.64  113.94    375  2.05   3.28  0.61  
#
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  13  "C2'"  "C3'"  "N3'"  C33  -119.16   56.45   91  11.52  36.59  0.00  
2  13  "C4'"  "C3'"  "N3'"  C33     8.31  108.65   51  49.43  32.27  0.00  
3  13  O16    C23    O23    C73    32.42   34.66  125   7.41  22.85  0.00  
4  14  O13    C13    C14    O14    22.06   15.04   95   4.24   0.87  3.16  
#
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  16  0.950  0.080  -0.405  
 2   2  22  0.966  0.068  -0.569  
 3   3  20  0.966  0.067  -0.667  
 4   4  21  0.959  0.076  -0.402  
 5   5  19  0.986  0.049  -0.906  
 6   6  22  0.977  0.057  -0.781  
 7   7  16  0.968  0.065  -0.647  
 8   8  22  0.974  0.056  -0.801  
 9   9  20  0.967  0.067  -0.667  
10  10  21  0.954  0.073  -0.446  
11  11  19  0.974  0.063  -0.680  
12  12  22  0.972  0.064  -0.646  
13  13  46  0.965  0.066       ?  
14  14  46  0.972  0.059       ?  
15  15   1  0.720  0.266       ?  
16  16   1  0.975  0.071       ?  
17  17   1  0.892  0.172       ?  
18  18   1  0.978  0.060       ?  
19  19   1  0.988  0.051       ?  
20  20   1  0.981  0.097       ?  
21  21   1  0.958  0.069       ?  
22  22   1  0.931  0.105       ?  
23  23   1  0.979  0.081       ?  
24  24   1  0.976  0.072       ?  
25  25   1  0.980  0.080       ?  
26  26   1  0.961  0.068       ?  
27  27   1  0.977  0.072       ?  
28  28   1  0.921  0.105       ?  
29  29   1  0.957  0.091       ?  
30  30   1  0.941  0.126       ?  
31  31   1  0.971  0.063       ?  
32  32   1  0.943  0.095       ?  
33  33   1  0.960  0.046       ?  
34  34   1  0.908  0.144       ?  
35  35   1  0.847  0.147       ?  
36  36   1  0.861  0.115       ?  
37  37   1  0.920  0.082       ?  
38  38   1  0.767  0.156       ?  
39  39   1  0.941  0.134       ?  
40  40   1  0.764  0.240       ?  
41  41   1  0.964  0.133       ?  
42  42   1  0.883  0.102       ?  
43  43   1  0.811  0.194       ?  
44  44   1  0.911  0.136       ?  
45  45   1  0.888  0.107       ?  
46  46   1  0.907  0.228       ?  
47  47   1  0.946  0.095       ?  
48  48   1  0.892  0.109       ?  
49  49   1  0.842  0.144       ?  
50  50   1  0.738  0.167       ?  
51  51   1  0.815  0.286       ?  
52  52   1  0.674  0.239       ?  
53  53   1  0.839  0.259       ?  
54  54   1  0.527  0.335       ?  
55  55   1  0.875  0.184       ?  
56  56   1  0.428  0.563       ?  
57  57   1  0.910  0.121       ?  
58  58   1  0.819  0.217       ?  
59  59   1  0.694  0.217       ?  
60  60   1  0.948  0.159       ?  
61  61   1  0.673  0.156       ?  
62  62   1  0.674  0.289       ?  
63  63   1  0.728  0.179       ?  
64  64   1  0.773  0.148       ?  
65  65   1  0.970  0.040       ?  
66  66   1  0.978  0.049       ?  
67  67   1  0.953  0.074       ?  
68  68   1  0.875  0.109       ?  
69  69   1  0.947  0.110       ?  
70  70   1  0.964  0.083       ?  
71  71   1  0.958  0.072       ?  
72  72   1  0.861  0.151       ?  
73  73   1  0.958  0.121       ?  
74  74   1  0.963  0.212       ?  
75  75   1  0.972  0.062       ?  
76  76   1  0.886  0.174       ?  
77  77   1  0.812  0.122       ?  
78  78   1  0.780  0.142       ?  
79  79   1  0.904  0.152       ?  
80  80   1  0.955  0.086       ?  
81  81   1  0.938  0.086       ?  
82  82   1  0.938  0.081       ?  
83  83   1  0.902  0.098       ?  
84  84   1  0.888  0.193       ?  
85  85   1  0.487  0.222       ?  
86  86   1  0.465  0.228       ?  
87  87   1  0.881  0.143       ?  
88  88   1  0.933  0.103       ?  
89  89   1  0.707  0.475       ?  
90  90   1  0.852  0.128       ?  
91  91   1  0.909  0.102       ?  
92  92   1  0.740  0.147       ?  
93  93   1  0.810  0.190       ?  
94  94   1  0.828  0.132       ?  
95  95   1  0.830  0.173       ?  
96  96   1  0.836  0.157       ?  
#
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  
##
