data_1A19

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1A19
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1A19
_pdbx_vrpt_summary.PDB_deposition_date         1997-12-25
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2021-11-03
_pdbx_vrpt_summary.report_creation_date        2021-10-23:17:33
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  BARSTAR
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.76  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
#
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   7.95  141614     ?     ?  
2  2  1  14.33    1277  2.74  2.78  
3  1  2   6.00  138981     ?     ?  
4  2  2  10.02    1257  2.74  2.78  
5  1  3   0.31  138945     ?     ?  
6  2  3   0.48    1257  2.74  2.78  
7  1  4  27.67  127900     ?     ?  
8  2  4  33.97    1207  2.74  2.78  
#
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   3.49  
 2  4  2  A  1  1  A   4.93  
 3  5  3  A  1  1  A   0.43  
 4  6  3  A  1  1  A   0.56  
 5  7  4  A  1  1  A  17.39  
 6  8  4  A  1  1  A  20.80  
 7  3  2  B  1  1  B  14.01  
 8  4  2  B  1  1  B  24.82  
 9  5  3  B  1  1  B   0.22  
10  6  3  B  1  1  B   0.32  
11  7  4  B  1  1  B  44.79  
12  8  4  B  1  1  B  52.94  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.59  0.43  732  990  
2  1  1  B  B  0.60  0.45  732  990  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.30
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       26.62
_pdbx_vrpt_summary_geometry.clashscore                     21.28
_pdbx_vrpt_summary_geometry.num_H_reduce                   1428
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1464
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.44
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1980
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.60
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            126.985
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         63.692
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.12(2.79A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4796
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.377
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.512
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.353
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.923
_pdbx_vrpt_summary_diffraction.twin_fraction             -k,-h,-l:0.022
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               9.96
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[63.015,63.015,64.882,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.029
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.16% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         85.26
_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     5.06
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.76
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        10.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
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_clashes
  1  1  1  A   2  LYS  A   1  .  ?        ?  
  2  1  1  A   3  LYS  A   2  .  ?        4  
  3  1  1  A   4  ALA  A   3  .  ?        ?  
  4  1  1  A   5  VAL  A   4  .  ?        ?  
  5  1  1  A   6  ILE  A   5  .  ?        2  
  6  1  1  A   7  ASN  A   6  .  ?        2  
  7  1  1  A   8  GLY  A   7  .  ?        3  
  8  1  1  A   9  GLU  A   8  .  ?        2  
  9  1  1  A  10  GLN  A   9  .  ?        1  
 10  1  1  A  11  ILE  A  10  .  ?        2  
 11  1  1  A  12  ARG  A  11  .  ?        1  
 12  1  1  A  13  SER  A  12  .  ?        1  
 13  1  1  A  14  ILE  A  13  .  ?        2  
 14  1  1  A  15  SER  A  14  .  ?        ?  
 15  1  1  A  16  ASP  A  15  .  ?        1  
 16  1  1  A  17  LEU  A  16  .  ?        ?  
 17  1  1  A  18  HIS  A  17  .  ?        ?  
 18  1  1  A  19  GLN  A  18  .  ?        ?  
 19  1  1  A  20  THR  A  19  .  ?        ?  
 20  1  1  A  21  LEU  A  20  .  ?        2  
 21  1  1  A  22  LYS  A  21  .  ?        1  
 22  1  1  A  23  LYS  A  22  .  ?        ?  
 23  1  1  A  24  GLU  A  23  .  ?        ?  
 24  1  1  A  25  LEU  A  24  .  ?        ?  
 25  1  1  A  26  ALA  A  25  .  ?        ?  
 26  1  1  A  27  LEU  A  26  .  ?        1  
 27  1  1  A  28  PRO  A  27  .  ?        2  
 28  1  1  A  29  GLU  A  28  .  ?        ?  
 29  1  1  A  30  TYR  A  29  .  ?        1  
 30  1  1  A  31  TYR  A  30  .  ?        3  
 31  1  1  A  32  GLY  A  31  .  ?        ?  
 32  1  1  A  33  GLU  A  32  .  ?        1  
 33  1  1  A  34  ASN  A  33  .  ?        4  
 34  1  1  A  35  LEU  A  34  .  ?        1  
 35  1  1  A  36  ASP  A  35  .  ?        1  
 36  1  1  A  37  ALA  A  36  .  ?        3  
 37  1  1  A  38  LEU  A  37  .  ?        ?  
 38  1  1  A  39  TRP  A  38  .  ?        1  
 39  1  1  A  40  ASP  A  39  .  ?        ?  
 40  1  1  A  41  CYS  A  40  .  ?        ?  
 41  1  1  A  42  LEU  A  41  .  ?        ?  
 42  1  1  A  43  THR  A  42  .  ?        1  
 43  1  1  A  44  GLY  A  43  .  ?        ?  
 44  1  1  A  45  TRP  A  44  .  ?        1  
 45  1  1  A  46  VAL  A  45  .  ?        ?  
 46  1  1  A  47  GLU  A  46  .  ?        ?  
 47  1  1  A  48  TYR  A  47  .  ?        ?  
 48  1  1  A  49  PRO  A  48  .  ?        ?  
 49  1  1  A  50  LEU  A  49  .  ?        ?  
 50  1  1  A  51  VAL  A  50  .  ?        ?  
 51  1  1  A  52  LEU  A  51  .  ?        2  
 52  1  1  A  53  GLU  A  52  .  ?        ?  
 53  1  1  A  54  TRP  A  53  .  ?        ?  
 54  1  1  A  55  ARG  A  54  .  ?        ?  
 55  1  1  A  56  GLN  A  55  .  ?        ?  
 56  1  1  A  57  PHE  A  56  .  ?        ?  
 57  1  1  A  58  GLU  A  57  .  ?        ?  
 58  1  1  A  59  GLN  A  58  .  ?        ?  
 59  1  1  A  60  SER  A  59  .  ?        3  
 60  1  1  A  61  LYS  A  60  .  ?        4  
 61  1  1  A  62  GLN  A  61  .  ?        ?  
 62  1  1  A  63  LEU  A  62  .  ?        ?  
 63  1  1  A  64  THR  A  63  .  ?        ?  
 64  1  1  A  65  GLU  A  64  .  ?        ?  
 65  1  1  A  66  ASN  A  65  .  ?        1  
 66  1  1  A  67  GLY  A  66  .  ?        ?  
 67  1  1  A  68  ALA  A  67  .  ?        ?  
 68  1  1  A  69  GLU  A  68  .  ?        3  
 69  1  1  A  70  SER  A  69  .  ?        1  
 70  1  1  A  71  VAL  A  70  .  ?        ?  
 71  1  1  A  72  LEU  A  71  .  ?        ?  
 72  1  1  A  73  GLN  A  72  .  ?        ?  
 73  1  1  A  74  VAL  A  73  .  ?        ?  
 74  1  1  A  75  PHE  A  74  .  ?        ?  
 75  1  1  A  76  ARG  A  75  .  ?        ?  
 76  1  1  A  77  GLU  A  76  .  ?        ?  
 77  1  1  A  78  ALA  A  77  .  ?        ?  
 78  1  1  A  79  LYS  A  78  .  ?        ?  
 79  1  1  A  80  ALA  A  79  .  ?        ?  
 80  1  1  A  81  GLU  A  80  .  ?        ?  
 81  1  1  A  82  GLY  A  81  .  ?        ?  
 82  1  1  A  83  ALA  A  82  .  ?        ?  
 83  1  1  A  84  ASP  A  83  .  ?        ?  
 84  1  1  A  85  ILE  A  84  .  ?        ?  
 85  1  1  A  86  THR  A  85  .  ?        ?  
 86  1  1  A  87  ILE  A  86  .  ?        ?  
 87  1  1  A  88  ILE  A  87  .  ?        ?  
 88  1  1  A  89  LEU  A  88  .  ?        ?  
 89  1  1  A  90  SER  A  89  .  ?        ?  
 90  1  1  B   2  LYS  B   1  .  ?        ?  
 91  1  1  B   3  LYS  B   2  .  ?        4  
 92  1  1  B   4  ALA  B   3  .  ?        ?  
 93  1  1  B   5  VAL  B   4  .  ?        ?  
 94  1  1  B   6  ILE  B   5  .  ?        2  
 95  1  1  B   7  ASN  B   6  .  ?        3  
 96  1  1  B   8  GLY  B   7  .  ?        3  
 97  1  1  B   9  GLU  B   8  .  ?        3  
 98  1  1  B  10  GLN  B   9  .  ?        2  
 99  1  1  B  11  ILE  B  10  .  ?        2  
100  1  1  B  12  ARG  B  11  .  ?        ?  
101  1  1  B  13  SER  B  12  .  ?        1  
102  1  1  B  14  ILE  B  13  .  ?        2  
103  1  1  B  15  SER  B  14  .  ?        ?  
104  1  1  B  16  ASP  B  15  .  ?        1  
105  1  1  B  17  LEU  B  16  .  ?        ?  
106  1  1  B  18  HIS  B  17  .  ?        ?  
107  1  1  B  19  GLN  B  18  .  ?        ?  
108  1  1  B  20  THR  B  19  .  ?        ?  
109  1  1  B  21  LEU  B  20  .  ?        ?  
110  1  1  B  22  LYS  B  21  .  ?        1  
111  1  1  B  23  LYS  B  22  .  ?        ?  
112  1  1  B  24  GLU  B  23  .  ?        ?  
113  1  1  B  25  LEU  B  24  .  ?        ?  
114  1  1  B  26  ALA  B  25  .  ?        ?  
115  1  1  B  27  LEU  B  26  .  ?        1  
116  1  1  B  28  PRO  B  27  .  ?        1  
117  1  1  B  29  GLU  B  28  .  ?        ?  
118  1  1  B  30  TYR  B  29  .  ?        1  
119  1  1  B  31  TYR  B  30  .  ?        3  
120  1  1  B  32  GLY  B  31  .  ?        ?  
121  1  1  B  33  GLU  B  32  .  ?        1  
122  1  1  B  34  ASN  B  33  .  ?        5  
123  1  1  B  35  LEU  B  34  .  ?        1  
124  1  1  B  36  ASP  B  35  .  ?        1  
125  1  1  B  37  ALA  B  36  .  ?        4  
126  1  1  B  38  LEU  B  37  .  ?        ?  
127  1  1  B  39  TRP  B  38  .  ?        1  
128  1  1  B  40  ASP  B  39  .  ?        ?  
129  1  1  B  41  CYS  B  40  .  ?        ?  
130  1  1  B  42  LEU  B  41  .  ?        2  
131  1  1  B  43  THR  B  42  .  ?        1  
132  1  1  B  44  GLY  B  43  .  ?        ?  
133  1  1  B  45  TRP  B  44  .  ?        ?  
134  1  1  B  46  VAL  B  45  .  ?        ?  
135  1  1  B  47  GLU  B  46  .  ?        ?  
136  1  1  B  48  TYR  B  47  .  ?        ?  
137  1  1  B  49  PRO  B  48  .  ?        ?  
138  1  1  B  50  LEU  B  49  .  ?        ?  
139  1  1  B  51  VAL  B  50  .  ?        ?  
140  1  1  B  52  LEU  B  51  .  ?        2  
141  1  1  B  53  GLU  B  52  .  ?        ?  
142  1  1  B  54  TRP  B  53  .  ?        ?  
143  1  1  B  55  ARG  B  54  .  ?        ?  
144  1  1  B  56  GLN  B  55  .  ?        ?  
145  1  1  B  57  PHE  B  56  .  ?        ?  
146  1  1  B  58  GLU  B  57  .  ?        ?  
147  1  1  B  59  GLN  B  58  .  ?        ?  
148  1  1  B  60  SER  B  59  .  ?        3  
149  1  1  B  61  LYS  B  60  .  ?        7  
150  1  1  B  62  GLN  B  61  .  ?        ?  
151  1  1  B  63  LEU  B  62  .  ?        ?  
152  1  1  B  64  THR  B  63  .  ?        ?  
153  1  1  B  65  GLU  B  64  .  ?        ?  
154  1  1  B  66  ASN  B  65  .  ?        2  
155  1  1  B  67  GLY  B  66  .  ?        ?  
156  1  1  B  68  ALA  B  67  .  ?        ?  
157  1  1  B  69  GLU  B  68  .  ?        3  
158  1  1  B  70  SER  B  69  .  ?        1  
159  1  1  B  71  VAL  B  70  .  ?        ?  
160  1  1  B  72  LEU  B  71  .  ?        ?  
161  1  1  B  73  GLN  B  72  .  ?        ?  
162  1  1  B  74  VAL  B  73  .  ?        ?  
163  1  1  B  75  PHE  B  74  .  ?        ?  
164  1  1  B  76  ARG  B  75  .  ?        ?  
165  1  1  B  77  GLU  B  76  .  ?        ?  
166  1  1  B  78  ALA  B  77  .  ?        ?  
167  1  1  B  79  LYS  B  78  .  ?        ?  
168  1  1  B  80  ALA  B  79  .  ?        ?  
169  1  1  B  81  GLU  B  80  .  ?        ?  
170  1  1  B  82  GLY  B  81  .  ?        ?  
171  1  1  B  83  ALA  B  82  .  ?        ?  
172  1  1  B  84  ASP  B  83  .  ?        ?  
173  1  1  B  85  ILE  B  84  .  ?        ?  
174  1  1  B  86  THR  B  85  .  ?        ?  
175  1  1  B  87  ILE  B  86  .  ?        ?  
176  1  1  B  88  ILE  B  87  .  ?        ?  
177  1  1  B  89  LEU  B  88  .  ?        ?  
178  1  1  B  90  SER  B  89  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.cis_peptide
_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  OUTLIER       ?      ?  ?           ?  ?     15  51.560   9  0.76  11  0.29  molprobity  1.000  
  2    2  mtpp     -112.7  128.4  Favored     ?  ?     13  59.840   9  0.64  11  0.62  molprobity  1.000  
  3    3  ?        -121.0  147.7  Favored     ?  ?      5  36.430   5  0.55   7  0.49  molprobity  1.000  
  4    4  t        -137.0  121.8  Favored     ?  ?      9  31.350   7  0.46  10  0.98  molprobity  1.000  
  5    5  mt       -118.9  126.9  Favored     ?  ?     11  34.740   8  0.67  11  0.76  molprobity  1.000  
  6    6  OUTLIER  -114.2  106.0  Favored     ?  ?      6  49.930   8  0.52  11  0.64  molprobity  1.000  
  7    7  ?         -54.1   -4.8  Allowed     ?  ?      3  57.260   4  0.37   5  0.20  molprobity  1.000  
  8    8  tt0       -62.0  -39.2  Favored     ?  ?      6  71.560   9  0.52  12  0.40  molprobity  1.000  
  9    9  OUTLIER  -100.9  -20.7  Favored     ?  ?      8  63.220   9  0.40  12  0.72  molprobity  1.000  
 10   10  mp        -66.9   76.2  OUTLIER     ?  ?     11  54.760   8  0.35  11  0.80  molprobity  1.000  
 11   11  mpp_?     -72.6  -17.8  Favored     ?  ?     13  71.110  11  0.32  14  0.31  molprobity  1.000  
 12   12  p        -145.3  162.1  Favored     ?  ?      5  64.580   6  0.37   8  0.60  molprobity  1.000  
 13   13  tp        -67.6  -11.4  Favored     ?  ?     11  61.610   8  0.28  11  0.45  molprobity  1.000  
 14   14  OUTLIER   -92.3  -25.8  Favored     ?  ?      5  65.720   6  0.32   8  0.74  molprobity  1.000  
 15   15  m-20      -63.1  -43.4  Favored     ?  ?      4  59.350   8  0.36  11  1.05  molprobity  1.000  
 16   16  OUTLIER   -52.4  -49.4  Favored     ?  ?     11  42.700   8  0.32  11  0.87  molprobity  1.000  
 17   17  m-70      -74.0  -30.2  Favored     ?  ?      7  39.840  11  0.30  15  0.40  molprobity  1.000  
 18   18  tp-100    -67.0  -37.1  Favored     ?  ?      8  55.960   9  0.35  12  0.56  molprobity  1.000  
 19   19  m         -74.0  -46.6  Favored     ?  ?      7  45.800   7  0.31  10  0.68  molprobity  1.000  
 20   20  OUTLIER   -58.8  -45.7  Favored     ?  ?     11  37.680   8  0.35  11  0.73  molprobity  1.000  
 21   21  tttt      -48.8  -48.6  Favored     ?  ?     13  42.620   9  0.59  11  0.36  molprobity  1.000  
 22   22  OUTLIER   -76.5  -45.8  Favored     ?  ?     13  51.920   9  0.52  11  0.73  molprobity  1.000  
 23   23  mm-40     -62.4  -41.5  Favored     ?  ?      6  45.470   9  0.47  12  0.47  molprobity  1.000  
 24   24  mt        -96.7    4.3  Favored     ?  ?     11  27.330   8  0.32  11  0.76  molprobity  1.000  
 25   25  ?          48.6   44.0  Favored     ?  ?      5  27.570   5  0.36   7  0.30  molprobity  1.000  
 26   26  OUTLIER   -58.4  172.6  Allowed     ?  ?     11  28.910   8  0.29  12  0.60  molprobity  1.000  
 27   27  Cg_exo    -66.2  156.8  Favored     ?  ?      7  37.400   8  0.54  11  0.38  molprobity  1.000  
 28   28  tt0       -57.4  -30.6  Favored     ?  ?      6  61.910   9  0.57  12  0.42  molprobity  1.000  
 29   29  p90       -89.9    6.3  Favored     ?  ?      9  41.610  13  0.34  18  0.46  molprobity  1.000  
 30   30  t80       -39.8  115.2  Allowed     ?  ?      9  43.240  13  0.46  18  0.35  molprobity  1.000  
 31   31  ?         -74.4    2.9  Favored     ?  ?      3  52.770   4  0.22   5  0.86  molprobity  1.000  
 32   32  mt-10      51.3   66.1  Allowed     ?  ?      6  49.280   9  0.68  12  0.40  molprobity  1.000  
 33   33  p30      -161.8  146.2  Favored     1  ?      6  50.450   8  0.30  11  0.46  molprobity  1.000  
 34   34  mt        -48.0  -34.5  Favored     ?  ?     11  44.730   8  0.41  11  0.76  molprobity  1.000  
 35   35  OUTLIER   -66.9  -41.0  Favored     ?  ?      4  62.710   8  0.39  11  0.31  molprobity  1.000  
 36   36  ?         -75.6  -22.6  Favored     ?  ?      5  49.020   5  0.22   7  0.41  molprobity  1.000  
 37   37  tp        -75.9  -48.1  Favored     ?  ?     11  34.030   8  0.39  11  0.75  molprobity  1.000  
 38   38  t-105     -51.5  -54.0  Favored     ?  ?     10  47.290  16  0.48  23  0.51  molprobity  1.000  
 39   39  m-20      -55.9  -46.2  Favored     ?  ?      4  55.000   8  0.35  11  0.37  molprobity  1.000  
 40   40  m         -60.3  -34.6  Favored     ?  ?      5  43.420   6  0.66   8  0.61  molprobity  1.000  
 41   41  OUTLIER   -74.5  -30.7  Favored     ?  ?     11  36.100   8  0.35  11  0.77  molprobity  1.000  
 42   42  p         -96.1   22.7  Favored     ?  ?      7  51.780   7  0.27  10  1.11  molprobity  1.000  
 43   43  ?        -176.2  -39.6  OUTLIER     ?  ?      3  51.180   4  0.36   5  0.68  molprobity  1.000  
 44   44  t-105     -84.5  -55.9  Favored     ?  ?     10  47.460  16  0.32  23  0.39  molprobity  1.000  
 45   45  t         -56.9  142.4  Favored     ?  ?      9  45.230   7  0.54  10  0.79  molprobity  1.000  
 46   46  OUTLIER  -103.7  124.1  Favored     ?  ?      6  67.680   9  0.47  12  0.48  molprobity  1.000  
 47   47  m-85      -98.8  161.4  Favored     ?  Y      9  48.790  13  0.46  19  0.46  molprobity  1.000  
 48   48  Cg_exo    -63.0  149.9  Favored     ?  ?      7  46.610   8  0.27  11  0.53  molprobity  1.000  
 49   49  tp       -135.8  129.1  Favored     ?  ?     11  27.610   8  0.29  11  0.62  molprobity  1.000  
 50   50  OUTLIER  -119.2  115.6  Favored     ?  ?      9  24.170   7  0.92  10  1.03  molprobity  1.000  
 51   51  tp       -104.2  119.0  Favored     ?  ?     11  27.660   8  0.29  11  0.65  molprobity  1.000  
 52   52  tt0      -105.0  118.6  Favored     ?  ?      6  36.570   9  0.86  12  0.68  molprobity  1.000  
 53   53  t90      -108.8   92.2  Favored     ?  ?     10  45.980  16  0.43  23  0.26  molprobity  1.000  
 54   54  mtt85     -72.9  134.3  Favored     ?  ?     13  51.980  11  0.36  14  0.54  molprobity  1.000  
 55   55  mp0        51.2   57.2  Favored     ?  ?      8  71.900   9  0.33  12  0.39  molprobity  1.000  
 56   56  t80       -58.1  -19.9  Favored     ?  ?      9  64.070  12  0.72  16  0.25  molprobity  1.000  
 57   57  OUTLIER   -57.7  -62.4  Allowed     ?  ?      6  79.510   9  0.47  12  0.48  molprobity  1.000  
 58   58  OUTLIER   -51.2  -64.5  Allowed     1  ?      8  80.470   9  0.32  12  0.51  molprobity  1.000  
 59   59  p         -47.2  -16.4  OUTLIER     ?  ?      5  72.540   6  0.35   8  0.32  molprobity  1.000  
 60   60  tppp?     -89.2  -52.3  Favored     ?  ?     13  81.210   9  0.32  11  0.44  molprobity  1.000  
 61   61  pt20      -69.6  -46.5  Favored     ?  ?      8  95.890   9  0.27  12  0.45  molprobity  1.000  
 62   62  mm?       -76.4   33.1  Allowed     ?  ?     11  94.290   8  0.20  11  0.48  molprobity  1.000  
 63   63  p        -155.1   23.7  Allowed     ?  ?      7  95.330   7  0.26  10  0.62  molprobity  1.000  
 64   64  mt-10      57.9   28.6  Favored     ?  ?      6  96.040   9  0.47  12  0.35  molprobity  1.000  
 65   65  OUTLIER    69.9   19.5  Favored     ?  ?      6  87.680   8  0.15  11  0.42  molprobity  1.000  
 66   66  ?         -79.9    0.5  Favored     ?  ?      3  70.830   4  0.35   5  0.44  molprobity  1.000  
 67   67  ?         -84.7  -23.1  Favored     ?  ?      5  55.390   5  0.36   7  0.28  molprobity  1.000  
 68   68  tp10      -70.7  -30.1  Favored     ?  ?      6  46.810   9  0.27  12  0.51  molprobity  1.000  
 69   69  OUTLIER   -73.2  -43.6  Favored     ?  ?      5  46.950   6  0.23   8  0.53  molprobity  1.000  
 70   70  t         -55.2  -56.4  Favored     ?  ?      9  38.160   7  0.23  10  0.62  molprobity  1.000  
 71   71  tp        -54.5  -33.6  Favored     ?  ?     11  33.920   8  0.34  11  0.46  molprobity  1.000  
 72   72  tp-100    -71.2  -26.4  Favored     ?  ?      8  49.250   9  0.41  12  0.33  molprobity  1.000  
 73   73  t         -68.9  -40.6  Favored     ?  ?      9  29.690   7  0.46  10  0.86  molprobity  1.000  
 74   74  m-85      -68.6  -40.5  Favored     ?  ?      9  24.710  12  0.54  16  0.35  molprobity  1.000  
 75   75  mmm-85    -66.4  -20.4  Favored     ?  ?     13  40.220  11  0.26  14  0.63  molprobity  1.000  
 76   76  mm-40     -85.5  -43.8  Favored     ?  ?      6  47.950   9  0.21  12  0.32  molprobity  1.000  
 77   77  ?         -56.6  -47.9  Favored     ?  ?      5  33.140   5  0.35   7  0.67  molprobity  1.000  
 78   78  OUTLIER   -53.3  -47.5  Favored     ?  ?     13  44.790   9  0.23  11  0.56  molprobity  1.000  
 79   79  ?         -56.7  -60.0  Favored     ?  ?      5  50.930   5  0.19   7  0.22  molprobity  1.000  
 80   80  OUTLIER   -51.4  -33.8  Favored     ?  ?      6  61.440   9  0.29  12  0.48  molprobity  1.000  
 81   81  ?         156.1  -32.4  Allowed     ?  ?      3  52.360   4  0.25   5  1.10  molprobity  1.000  
 82   82  ?         -36.9  139.9  Allowed     ?  ?      5  47.480   5  0.33   7  0.35  molprobity  1.000  
 83   83  t70       -86.5   83.3  Favored     ?  ?      4  50.460   8  0.45  11  0.56  molprobity  1.000  
 84   84  mt       -119.5  140.8  Favored     ?  ?     11  33.460   8  0.43  11  0.68  molprobity  1.000  
 85   85  m        -121.2  130.8  Favored     ?  ?      7  26.700   7  0.39  10  1.10  molprobity  1.000  
 86   86  mt       -118.5  112.7  Favored     ?  ?     11  22.000   8  0.34  11  0.59  molprobity  1.000  
 87   87  mt       -101.9  113.7  Favored     ?  ?     11  22.230   8  0.30  11  0.79  molprobity  1.000  
 88   88  OUTLIER   -96.6   81.6  Favored     ?  ?     11  31.320   8  0.27  11  1.12  molprobity  1.000  
 89   89  p             ?      ?  ?           ?  ?      5  45.190   6  0.74   5  0.49  molprobity  1.000  
 90   90  OUTLIER       ?      ?  ?           ?  ?     15  46.620   9  0.83  11  0.39  molprobity  1.000  
 91   91  mtpp     -111.8  133.1  Favored     ?  ?     13  56.730   9  0.53  11  0.45  molprobity  1.000  
 92   92  ?        -125.8  147.8  Favored     ?  ?      5  40.550   5  0.26   7  0.50  molprobity  1.000  
 93   93  t        -137.6  122.6  Favored     ?  ?      9  31.880   7  0.63  10  1.02  molprobity  1.000  
 94   94  mt       -119.4  125.5  Favored     ?  ?     11  35.120   8  0.30  11  0.65  molprobity  1.000  
 95   95  OUTLIER  -113.1  105.5  Favored     ?  ?      6  49.410   8  0.19  11  0.64  molprobity  1.000  
 96   96  ?         -52.6   -7.6  Allowed     ?  ?      3  49.820   4  0.68   5  0.52  molprobity  1.000  
 97   97  OUTLIER   -58.9  -39.9  Favored     ?  ?      6  66.450   9  0.53  12  0.29  molprobity  1.000  
 98   98  OUTLIER  -103.3  -15.2  Favored     ?  ?      8  61.780   9  0.26  12  0.76  molprobity  1.000  
 99   99  mp        -69.6   77.3  Allowed     ?  ?     11  50.730   8  0.35  11  0.91  molprobity  1.000  
100  100  OUTLIER   -75.2  -17.6  Favored     ?  ?     13  67.120  11  0.36  14  0.34  molprobity  1.000  
101  101  p        -145.9  160.1  Favored     ?  ?      5  61.660   6  0.33   8  0.59  molprobity  1.000  
102  102  tp        -65.7  -11.7  Favored     ?  ?     11  58.500   8  0.46  11  0.55  molprobity  1.000  
103  103  OUTLIER   -92.1  -25.4  Favored     ?  ?      5  61.350   6  0.37   8  0.83  molprobity  1.000  
104  104  m-20      -62.5  -45.7  Favored     ?  ?      4  61.180   8  0.49  11  1.07  molprobity  1.000  
105  105  OUTLIER   -50.7  -48.0  Favored     ?  ?     11  39.160   8  0.34  11  0.90  molprobity  1.000  
106  106  m-70      -76.0  -32.5  Favored     ?  ?      7  31.360  11  0.24  15  0.32  molprobity  1.000  
107  107  tp-100    -64.8  -37.9  Favored     ?  ?      8  50.290   9  0.47  12  0.53  molprobity  1.000  
108  108  m         -71.4  -48.8  Favored     ?  ?      7  37.950   7  0.28  10  0.62  molprobity  1.000  
109  109  OUTLIER   -58.5  -43.6  Favored     ?  ?     11  35.580   8  0.32  11  0.74  molprobity  1.000  
110  110  tttt      -51.8  -49.8  Favored     ?  ?     13  42.490   9  0.34  11  0.36  molprobity  1.000  
111  111  OUTLIER   -74.0  -48.1  Favored     ?  ?     13  54.320   9  0.42  11  0.58  molprobity  1.000  
112  112  mm-40     -58.8  -46.6  Favored     ?  ?      6  45.950   9  0.42  12  0.31  molprobity  1.000  
113  113  mt        -92.4    3.5  Favored     ?  ?     11  29.960   8  0.17  11  0.54  molprobity  1.000  
114  114  ?          47.8   40.8  Favored     ?  ?      5  31.690   5  0.27   7  0.30  molprobity  1.000  
115  115  OUTLIER   -54.3  176.2  Allowed     ?  ?     11  30.400   8  0.20  12  0.48  molprobity  1.000  
116  116  Cg_exo    -72.2  156.6  Favored     ?  ?      7  40.110   8  0.29  11  0.44  molprobity  1.000  
117  117  tt0       -54.5  -28.7  Favored     ?  ?      6  60.290   9  0.46  12  0.61  molprobity  1.000  
118  118  p90       -90.9    5.0  Favored     ?  ?      9  50.240  13  0.83  18  0.66  molprobity  1.000  
119  119  t80       -38.8  107.8  Allowed     ?  ?      9  42.850  13  0.28  18  0.38  molprobity  1.000  
120  120  ?         -68.0    0.0  Favored     ?  ?      3  52.530   4  0.34   5  0.90  molprobity  1.000  
121  121  mt-10      53.3   64.3  Allowed     ?  ?      6  53.180   9  0.48  12  0.56  molprobity  1.000  
122  122  OUTLIER  -160.1  142.5  Favored     1  ?      6  50.350   8  0.41  11  0.49  molprobity  1.000  
123  123  mt        -45.8  -34.5  Favored     ?  ?     11  41.820   8  0.41  11  0.72  molprobity  1.000  
124  124  OUTLIER   -66.1  -44.5  Favored     ?  ?      4  59.510   8  0.33  11  0.45  molprobity  1.000  
125  125  ?         -71.2  -25.3  Favored     ?  ?      5  44.360   5  0.59   7  0.47  molprobity  1.000  
126  126  tp        -74.6  -43.2  Favored     ?  ?     11  31.750   8  0.28  11  0.58  molprobity  1.000  
127  127  t-105     -55.0  -55.9  Favored     ?  ?     10  36.770  16  0.40  23  0.50  molprobity  1.000  
128  128  m-20      -53.6  -46.5  Favored     ?  ?      4  50.210   8  0.69  11  0.58  molprobity  1.000  
129  129  m         -60.7  -36.4  Favored     ?  ?      5  40.450   6  0.66   8  0.48  molprobity  1.000  
130  130  OUTLIER   -70.9  -33.3  Favored     ?  ?     11  31.490   8  0.30  11  0.78  molprobity  1.000  
131  131  p         -93.8   21.9  Favored     ?  ?      7  44.860   7  0.30  10  1.20  molprobity  1.000  
132  132  ?        -175.0  -35.0  OUTLIER     ?  ?      3  48.520   4  0.40   5  1.00  molprobity  1.000  
133  133  t-105     -91.9  -52.8  Favored     ?  ?     10  49.500  16  0.38  23  0.28  molprobity  1.000  
134  134  t         -56.5  142.2  Favored     ?  ?      9  50.990   7  0.47  10  0.69  molprobity  1.000  
135  135  OUTLIER  -104.5  127.7  Favored     ?  ?      6  67.740   9  0.52  12  0.48  molprobity  1.000  
136  136  m-85     -103.1  161.6  Favored     ?  Y      9  43.900  13  0.42  19  0.52  molprobity  1.000  
137  137  Cg_exo    -60.8  151.2  Favored     ?  ?      7  40.970   8  0.17  11  0.40  molprobity  1.000  
138  138  tp       -138.8  125.6  Favored     ?  ?     11  24.170   8  0.22  11  0.40  molprobity  1.000  
139  139  OUTLIER  -117.8  115.3  Favored     ?  ?      9  22.620   7  1.02  10  1.03  molprobity  1.000  
140  140  tp       -106.0  121.3  Favored     ?  ?     11  28.910   8  0.42  11  0.85  molprobity  1.000  
141  141  tt0      -105.4  114.7  Favored     ?  ?      6  28.930   9  0.41  12  0.37  molprobity  1.000  
142  142  t90      -104.5   95.4  Favored     ?  ?     10  37.570  16  0.29  23  0.29  molprobity  1.000  
143  143  mtt85     -75.3  136.4  Favored     ?  ?     13  50.550  11  0.37  14  0.51  molprobity  1.000  
144  144  mp0        48.5   60.3  Favored     ?  ?      8  67.940   9  0.41  12  0.43  molprobity  1.000  
145  145  t80       -59.4  -21.9  Favored     ?  ?      9  61.450  12  0.56  16  0.24  molprobity  1.000  
146  146  OUTLIER   -56.4  -63.3  Allowed     ?  ?      6  80.230   9  0.48  12  0.38  molprobity  1.000  
147  147  OUTLIER   -50.7  -65.1  Allowed     1  ?      8  77.190   9  0.29  12  0.53  molprobity  1.000  
148  148  p         -45.7  -20.0  Allowed     ?  ?      5  71.000   6  0.50   8  0.40  molprobity  1.000  
149  149  tppp?     -85.3  -53.5  Favored     ?  ?     13  77.460   9  0.26  11  0.40  molprobity  1.000  
150  150  pt20      -69.0  -43.2  Favored     ?  ?      8  91.060   9  0.43  12  0.52  molprobity  1.000  
151  151  mm?       -79.1   30.3  Allowed     ?  ?     11  92.760   8  0.25  11  0.57  molprobity  1.000  
152  152  p        -152.1   23.2  Allowed     ?  ?      7  94.650   7  0.24  10  0.70  molprobity  1.000  
153  153  mt-10      59.4   24.9  Favored     ?  ?      6  96.780   9  0.35  12  0.32  molprobity  1.000  
154  154  OUTLIER    73.3   19.3  Favored     ?  ?      6  86.980   8  0.16  11  0.41  molprobity  1.000  
155  155  ?         -81.0    2.3  Favored     ?  ?      3  65.330   4  0.34   5  0.43  molprobity  1.000  
156  156  ?         -86.1  -25.2  Favored     ?  ?      5  49.500   5  0.63   7  0.39  molprobity  1.000  
157  157  tp10      -67.7  -26.1  Favored     ?  ?      6  41.600   9  0.59  12  0.50  molprobity  1.000  
158  158  OUTLIER   -77.2  -43.7  Favored     ?  ?      5  42.610   6  0.37   8  0.54  molprobity  1.000  
159  159  t         -55.5  -52.5  Favored     ?  ?      9  35.720   7  0.46  10  0.53  molprobity  1.000  
160  160  tp        -55.2  -34.5  Favored     ?  ?     11  28.690   8  0.40  11  0.54  molprobity  1.000  
161  161  tp-100    -71.3  -27.2  Favored     1  ?      8  42.240   9  0.25  12  0.31  molprobity  1.000  
162  162  t         -69.4  -42.9  Favored     ?  ?      9  25.520   7  0.53  10  0.78  molprobity  1.000  
163  163  m-85      -65.5  -43.6  Favored     ?  ?      9  19.610  12  0.78  16  0.47  molprobity  1.000  
164  164  mmm-85    -65.0  -19.0  Favored     ?  ?     13  36.310  11  0.33  14  0.76  molprobity  1.000  
165  165  mm-40     -88.3  -42.6  Favored     ?  ?      6  39.500   9  0.57  12  0.40  molprobity  1.000  
166  166  ?         -56.6  -50.2  Favored     ?  ?      5  34.530   5  0.18   7  0.66  molprobity  1.000  
167  167  OUTLIER   -49.4  -49.3  Favored     ?  ?     13  45.920   9  0.46  11  0.51  molprobity  1.000  
168  168  ?         -55.5  -58.5  Favored     ?  ?      5  40.870   5  0.48   7  0.45  molprobity  1.000  
169  169  OUTLIER   -53.4  -34.5  Favored     ?  ?      6  57.360   9  0.42  12  0.78  molprobity  1.000  
170  170  ?         159.4  -37.8  Allowed     ?  ?      3  47.910   4  0.35   5  0.88  molprobity  1.000  
171  171  ?         -35.1  139.7  Allowed     ?  ?      5  45.680   5  0.51   7  0.55  molprobity  1.000  
172  172  t70       -87.0   82.4  Favored     ?  ?      4  47.020   8  0.39  11  0.59  molprobity  1.000  
173  173  mt       -117.5  143.4  Favored     ?  ?     11  31.420   8  0.35  11  0.68  molprobity  1.000  
174  174  m        -125.2  128.0  Favored     ?  ?      7  23.230   7  0.59  10  1.02  molprobity  1.000  
175  175  mt       -120.1  114.0  Favored     ?  ?     11  21.790   8  0.54  11  0.61  molprobity  1.000  
176  176  mt       -101.0  108.7  Favored     ?  ?     11  22.550   8  0.61  11  0.89  molprobity  1.000  
177  177  OUTLIER   -92.9   82.7  Favored     ?  ?     11  26.810   8  0.39  11  1.19  molprobity  1.000  
178  178  p             ?      ?  ?           ?  ?      5  49.970   6  0.87   5  0.83  molprobity  1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
  1    2  HB3    1  0.50  2.26  
  2    2  HB3    2  0.50  1.77  
  3    2  NZ     1  0.50  2.26  
  4    2  HZ2    2  0.50  1.77  
  5    5  HD12   3  0.47  1.96  
  6    5  CD1    4  0.44  2.48  
  7    6  C      5  0.45  2.19  
  8    6  C      6  0.42  2.72  
  9    7  HA3    7  0.54  1.89  
 10    7  CA     8  0.54  2.37  
 11    7  HA2    9  0.40  2.03  
 12    8  H      5  0.45  2.19  
 13    8  N      6  0.42  2.72  
 14    9  O     10  0.44  2.51  
 15   10  O     11  0.52  2.10  
 16   10  HG22  11  0.52  2.10  
 17   11  N     10  0.44  2.51  
 18   12  O     12  0.44  2.18  
 19   13  HG13  13  0.65  1.96  
 20   13  O     13  0.65  1.96  
 21   15  HB2   12  0.44  2.18  
 22   20  HD12  14  0.47  1.79  
 23   20  HA    14  0.47  1.79  
 24   21  HD2   15  0.47  1.97  
 25   26  HB3   16  0.41  2.50  
 26   27  CD    16  0.41  2.50  
 27   27  HG3   17  0.41  2.56  
 28   29  O     18  0.42  2.56  
 29   30  CE2   19  0.54  2.43  
 30   30  HB3   15  0.47  1.97  
 31   30  C     18  0.42  2.56  
 32   32  HA    19  0.54  2.43  
 33   33  HD21  20  0.59  1.67  
 34   33  OD1   21  0.44  2.18  
 35   33  ND2   22  0.40  2.84  
 36   33  ND2   23  0.40  2.33  
 37   34  HD11  24  0.49  1.94  
 38   35  HB2   21  0.44  2.18  
 39   36  HB2   20  0.59  1.67  
 40   36  HB2   23  0.40  2.33  
 41   36  CB    22  0.40  2.84  
 42   38  O     25  0.61  2.01  
 43   42  HG23  25  0.61  2.01  
 44   44  CD2   17  0.41  2.56  
 45   51  HD11   3  0.47  1.96  
 46   51  HD11   4  0.44  2.48  
 47   59  HB3    7  0.54  1.89  
 48   59  HB3    8  0.54  2.37  
 49   59  HB3    9  0.40  2.03  
 50   60  HE2   26  0.89  1.52  
 51   60  CE    27  0.62  2.28  
 52   60  HD2   28  0.54  2.07  
 53   60  NZ    29  0.40  2.43  
 54   65  OD1   28  0.54  2.07  
 55   68  HB2   26  0.89  1.52  
 56   68  HB2   27  0.62  2.28  
 57   68  OE1   29  0.40  2.43  
 58   69  HB2   24  0.49  1.94  
 59   91  HZ2   30  0.56  1.70  
 60   91  HB3   30  0.56  1.70  
 61   91  HB3   31  0.48  2.27  
 62   91  NZ    31  0.48  2.27  
 63   94  HD12  32  0.71  1.72  
 64   94  CD1   33  0.65  2.26  
 65   95  C     34  0.50  2.15  
 66   95  C     35  0.48  2.66  
 67   95  O     36  0.45  2.50  
 68   96  CA    37  0.55  2.35  
 69   96  HA3   38  0.49  1.93  
 70   96  HA2   39  0.47  1.95  
 71   97  H     34  0.50  2.15  
 72   97  N     35  0.48  2.66  
 73   97  N     36  0.45  2.50  
 74   98  H     40  0.41  1.64  
 75   98  HG2   40  0.41  1.64  
 76   99  HG22  41  0.50  2.12  
 77   99  O     41  0.50  2.12  
 78  101  O     42  0.61  2.00  
 79  102  HG13  43  0.69  1.90  
 80  102  O     43  0.69  1.90  
 81  104  HB2   42  0.61  2.00  
 82  110  HD2   44  0.58  1.85  
 83  115  HB3   45  0.46  2.46  
 84  116  CD    45  0.46  2.46  
 85  118  O     46  0.41  2.58  
 86  119  CE2   47  0.62  2.34  
 87  119  HB3   44  0.58  1.85  
 88  119  C     46  0.41  2.58  
 89  121  HA    47  0.62  2.34  
 90  122  HD21  48  0.74  1.50  
 91  122  ND2   49  0.56  2.69  
 92  122  ND2   50  0.55  2.19  
 93  122  ND2   51  0.41  2.36  
 94  122  OD1   52  0.45  2.17  
 95  123  HD11  53  0.44  1.99  
 96  124  HB2   52  0.45  2.17  
 97  125  HB2   48  0.74  1.50  
 98  125  HB2   50  0.55  2.19  
 99  125  CB    49  0.56  2.69  
100  125  HB3   51  0.41  2.36  
101  127  O     54  0.42  2.20  
102  130  HD12  55  0.42  1.89  
103  130  HA    55  0.42  1.89  
104  131  HG23  54  0.42  2.20  
105  140  HD11  32  0.71  1.72  
106  140  HD11  33  0.65  2.26  
107  148  HB3   37  0.55  2.35  
108  148  HB3   38  0.49  1.93  
109  148  HB3   39  0.47  1.95  
110  149  HE2   56  0.91  1.52  
111  149  HE2   57  0.46  2.35  
112  149  CE    58  0.62  2.27  
113  149  HD2   59  0.53  2.08  
114  149  HD2   60  0.41  2.02  
115  149  HA    61  0.41  1.94  
116  149  HD3   61  0.41  1.94  
117  154  OD1   59  0.53  2.08  
118  154  HA    60  0.41  2.02  
119  157  HB2   56  0.91  1.52  
120  157  HB2   58  0.62  2.27  
121  157  CB    57  0.46  2.35  
122  158  HB2   53  0.44  1.99  
#
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   9  0.910  0.166  -0.621  
  2    2   9  0.709  0.329   1.237  
  3    3   5  0.938  0.159  -0.116  
  4    4   7  0.951  0.147  -0.506  
  5    5   8  0.915  0.171  -0.267  
  6    6   8  0.810  0.252   1.037  
  7    7   4  0.861  0.305   1.918  
  8    8   9  0.750  0.250   0.523  
  9    9   9  0.834  0.318   1.545  
 10   10   8  0.884  0.198   0.133  
 11   11  11  0.652  0.375   2.128  
 12   12   6  0.828  0.266   1.397  
 13   13   8  0.890  0.197   0.119  
 14   14   6  0.887  0.293   1.773  
 15   15   8  0.850  0.208   0.395  
 16   16   8  0.915  0.201   0.132  
 17   17  10  0.938  0.151  -0.329  
 18   18   9  0.827  0.346   1.896  
 19   19   7  0.910  0.156  -0.192  
 20   20   8  0.848  0.224   0.458  
 21   21   9  0.870  0.251   0.348  
 22   22   9  0.730  0.347   1.442  
 23   23   9  0.933  0.178  -0.343  
 24   24   8  0.948  0.090  -1.443  
 25   25   5  0.943  0.146  -0.304  
 26   26   8  0.937  0.143  -0.691  
 27   27   7  0.969  0.119  -0.689  
 28   28   9  0.774  0.225   0.223  
 29   29  12  0.966  0.104  -1.098  
 30   30  12  0.901  0.169  -0.107  
 31   31   4  0.935  0.214   0.709  
 32   32   9  0.889  0.158  -0.584  
 33   33   8  0.878  0.215   0.529  
 34   34   8  0.897  0.214   0.316  
 35   35   8  0.858  0.243   0.862  
 36   36   5  0.851  0.305   1.997  
 37   37   8  0.940  0.183  -0.123  
 38   38  14  0.867  0.252   1.194  
 39   39   8  0.834  0.271   1.236  
 40   40   6  0.917  0.164   0.282  
 41   41   8  0.950  0.126  -0.932  
 42   42   7  0.884  0.197   0.405  
 43   43   4  0.875  0.192   0.417  
 44   44  14  0.925  0.159  -0.205  
 45   45   7  0.883  0.201   0.286  
 46   46   9  0.758  0.395   2.268  
 47   47  12  0.881  0.209   0.503  
 48   48   7  0.905  0.250   1.196  
 49   49   8  0.963  0.181  -0.152  
 50   50   7  0.926  0.149  -0.477  
 51   51   8  0.949  0.143  -0.691  
 52   52   9  0.923  0.154  -0.632  
 53   53  14  0.825  0.258   1.284  
 54   54  11  0.815  0.252   0.595  
 55   55   9  0.778  0.300   1.319  
 56   56  11  0.919  0.239   0.811  
 57   57   9  0.762  0.278   0.860  
 58   58   9  0.654  0.296   1.269  
 59   59   6  0.805  0.329   2.274  
 60   60   9  0.760  0.375   1.762  
 61   61   9  0.430  0.642   5.610  
 62   62   8  0.788  0.168  -0.336  
 63   63   7  0.831  0.244   1.090  
 64   64   9  0.583  0.466   3.123  
 65   65   8  0.772  0.346   2.328  
 66   66   4  0.728  0.223   0.829  
 67   67   5  0.915  0.192   0.362  
 68   68   9  0.914  0.194  -0.150  
 69   69   6  0.866  0.174   0.116  
 70   70   7  0.848  0.252   1.034  
 71   71   8  0.905  0.238   0.657  
 72   72   9  0.795  0.316   1.519  
 73   73   7  0.918  0.206   0.359  
 74   74  11  0.972  0.091  -1.321  
 75   75  11  0.936  0.127  -0.964  
 76   76   9  0.846  0.235   0.343  
 77   77   5  0.915  0.251   1.216  
 78   78   9  0.890  0.160  -0.690  
 79   79   5  0.916  0.236   0.999  
 80   80   9  0.828  0.255   0.584  
 81   81   4  0.830  0.207   0.616  
 82   82   5  0.893  0.230   0.912  
 83   83   8  0.902  0.152  -0.352  
 84   84   8  0.949  0.146  -0.637  
 85   85   7  0.948  0.136  -0.484  
 86   86   8  0.937  0.142  -0.696  
 87   87   8  0.961  0.114  -1.111  
 88   88   8  0.955  0.109  -1.173  
 89   89   7  0.942  0.202   0.506  
 90   90   9  0.859  0.194  -0.302  
 91   91   9  0.876  0.240   0.222  
 92   92   5  0.981  0.096  -1.027  
 93   93   7  0.958  0.123  -0.858  
 94   94   8  0.953  0.137  -0.770  
 95   95   8  0.908  0.154  -0.309  
 96   96   4  0.965  0.149  -0.154  
 97   97   9  0.797  0.299   1.113  
 98   98   9  0.929  0.189  -0.074  
 99   99   8  0.865  0.232   0.637  
100  100  11  0.830  0.266   0.769  
101  101   6  0.851  0.211   0.631  
102  102   8  0.852  0.216   0.400  
103  103   6  0.851  0.272   1.481  
104  104   8  0.770  0.289   1.477  
105  105   8  0.901  0.201   0.132  
106  106  10  0.931  0.183   0.129  
107  107   9  0.876  0.234   0.491  
108  108   7  0.961  0.123  -0.673  
109  109   8  0.963  0.112  -1.130  
110  110   9  0.899  0.246   0.291  
111  111   9  0.741  0.358   1.568  
112  112   9  0.876  0.200  -0.078  
113  113   8  0.946  0.089  -1.457  
114  114   5  0.965  0.199   0.463  
115  115   8  0.959  0.136  -0.790  
116  116   7  0.907  0.176   0.131  
117  117   9  0.702  0.272   0.788  
118  118  12  0.802  0.199   0.351  
119  119  12  0.947  0.138  -0.579  
120  120   4  0.886  0.253   1.227  
121  121   9  0.873  0.185  -0.259  
122  122   8  0.874  0.206   0.405  
123  123   8  0.962  0.146  -0.648  
124  124   8  0.862  0.222   0.582  
125  125   5  0.919  0.211   0.637  
126  126   8  0.927  0.143  -0.691  
127  127  14  0.963  0.120  -0.791  
128  128   8  0.892  0.201   0.302  
129  129   6  0.909  0.167   0.332  
130  130   8  0.943  0.127  -0.918  
131  131   7  0.928  0.185   0.230  
132  132   4  0.871  0.200   0.523  
133  133  14  0.927  0.177   0.066  
134  134   7  0.926  0.170  -0.169  
135  135   9  0.805  0.372   1.992  
136  136  12  0.927  0.159  -0.259  
137  137   7  0.926  0.145  -0.315  
138  138   8  0.966  0.129  -0.889  
139  139   7  0.970  0.112  -1.019  
140  140   8  0.924  0.159  -0.464  
141  141   9  0.945  0.189  -0.211  
142  142  14  0.957  0.118  -0.821  
143  143  11  0.914  0.235   0.383  
144  144   9  0.876  0.214   0.240  
145  145  11  0.914  0.182  -0.010  
146  146   9  0.628  0.307   1.209  
147  147   9  0.806  0.246   0.641  
148  148   6  0.871  0.271   1.467  
149  149   9  0.751  0.419   2.263  
150  150   9  0.814  0.315   1.507  
151  151   8  0.856  0.284   1.309  
152  152   7  0.796  0.266   1.411  
153  153   9  0.673  0.520   3.773  
154  154   8  0.771  0.330   2.109  
155  155   4  0.887  0.247   1.147  
156  156   5  0.953  0.199   0.463  
157  157   9  0.946  0.152  -0.656  
158  158   6  0.972  0.080  -1.194  
159  159   7  0.947  0.135  -0.682  
160  160   8  0.931  0.221   0.416  
161  161   9  0.844  0.231   0.453  
162  162   7  0.960  0.181  -0.007  
163  163  11  0.943  0.129  -0.774  
164  164  11  0.903  0.168  -0.453  
165  165   9  0.927  0.164  -0.511  
166  166   5  0.910  0.197   0.434  
167  167   9  0.912  0.200  -0.234  
168  168   5  0.962  0.110  -0.825  
169  169   9  0.894  0.224   0.211  
170  170   4  0.937  0.103  -0.765  
171  171   5  0.970  0.121  -0.666  
172  172   8  0.908  0.173  -0.072  
173  173   8  0.955  0.151  -0.563  
174  174   7  0.955  0.097  -1.052  
175  175   8  0.946  0.161  -0.415  
176  176   8  0.980  0.093  -1.422  
177  177   8  0.966  0.115  -1.088  
178  178   7  0.935  0.177   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  eds          2.23.2                                                                Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
