data_1ULY

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1ULY
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1ULY
_pdbx_vrpt_summary.PDB_deposition_date         2003-09-17
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-12-27
_pdbx_vrpt_summary.report_creation_date        2023-12-20:00:50
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "hypothetical protein PH1932"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.5  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1    9.18  141614     ?     ?  
 2  2  1   16.82    5346  2.50  2.50  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5231  2.50  2.50  
 5  1  3    8.81  138945     ?     ?  
 6  2  3   17.77    5233  2.50  2.50  
 7  1  4   71.70  127900     ?     ?  
 8  2  4   73.81    4559  2.50  2.50  
 9  1  5   19.18  130704     ?     ?  
10  2  5   31.97    4661  2.50  2.50  
#
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  5  3  A  1  1  A    8.81  
4  6  3  A  1  1  A   17.77  
5  7  4  A  1  1  A   71.70  
6  8  4  A  1  1  A   73.81  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.50
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.40
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1595
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2127
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       9.20
_pdbx_vrpt_summary_geometry.clashscore                     19.84
_pdbx_vrpt_summary_geometry.num_H_reduce                   1645
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1595
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.40
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2127
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.50
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 100.997
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            44.087
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         28.208
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.17(2.50A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7410
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.322
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.369
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.483
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.318
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.909
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               22.66
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[26.223,26.223,32.702,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.228
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.73% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.54
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1350
_pdbx_vrpt_summary_diffraction.percent_free_reflections  18.22
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.62
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        10.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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  ALA  A    2  .  ?        1  
  2  1  1  A    3  LYS  A    3  .  ?        6  
  3  1  1  A    4  LYS  A    4  .  ?        3  
  4  1  1  A    5  VAL  A    5  .  ?        ?  
  5  1  1  A    6  LYS  A    6  .  ?        2  
  6  1  1  A    7  VAL  A    7  .  ?        ?  
  7  1  1  A    8  ILE  A    8  .  ?        2  
  8  1  1  A    9  THR  A    9  .  ?        2  
  9  1  1  A   10  ASP  A   10  .  ?        1  
 10  1  1  A   11  PRO  A   11  .  ?        1  
 11  1  1  A   12  GLU  A   12  .  ?        1  
 12  1  1  A   13  VAL  A   13  .  ?        3  
 13  1  1  A   14  ILE  A   14  .  ?        1  
 14  1  1  A   15  LYS  A   15  .  ?        ?  
 15  1  1  A   16  VAL  A   16  .  ?        1  
 16  1  1  A   17  MSE  A   17  .  ?        2  
 17  1  1  A   18  LEU  A   18  .  ?        2  
 18  1  1  A   19  GLU  A   19  .  ?        ?  
 19  1  1  A   20  ASP  A   20  .  ?        ?  
 20  1  1  A   21  THR  A   21  .  ?        ?  
 21  1  1  A   22  ARG  A   22  .  ?        2  
 22  1  1  A   23  ARG  A   23  .  ?        ?  
 23  1  1  A   24  LYS  A   24  .  ?        ?  
 24  1  1  A   25  ILE  A   25  .  ?        ?  
 25  1  1  A   26  LEU  A   26  .  ?        ?  
 26  1  1  A   27  LYS  A   27  .  ?        ?  
 27  1  1  A   28  LEU  A   28  .  ?        2  
 28  1  1  A   29  LEU  A   29  .  ?        1  
 29  1  1  A   30  ARG  A   30  .  ?        ?  
 30  1  1  A   31  ASN  A   31  .  ?        ?  
 31  1  1  A   32  LYS  A   32  .  ?        ?  
 32  1  1  A   33  GLU  A   33  .  ?        1  
 33  1  1  A   34  MSE  A   34  .  ?        ?  
 34  1  1  A   35  THR  A   35  .  ?        ?  
 35  1  1  A   36  ILE  A   36  .  ?        ?  
 36  1  1  A   37  SER  A   37  .  ?        1  
 37  1  1  A   38  GLN  A   38  .  ?        ?  
 38  1  1  A   39  LEU  A   39  .  ?        ?  
 39  1  1  A   40  SER  A   40  .  ?        1  
 40  1  1  A   41  GLU  A   41  .  ?        ?  
 41  1  1  A   42  ILE  A   42  .  ?        ?  
 42  1  1  A   43  LEU  A   43  .  ?        2  
 43  1  1  A   44  GLY  A   44  .  ?        ?  
 44  1  1  A   45  LYS  A   45  .  ?        ?  
 45  1  1  A   46  THR  A   46  .  ?        8  
 46  1  1  A   47  PRO  A   47  .  ?        ?  
 47  1  1  A   48  GLN  A   48  .  ?        5  
 48  1  1  A   49  THR  A   49  .  ?        3  
 49  1  1  A   50  ILE  A   50  .  ?        ?  
 50  1  1  A   51  TYR  A   51  .  ?        ?  
 51  1  1  A   52  HIS  A   52  .  ?        ?  
 52  1  1  A   53  HIS  A   53  .  ?        ?  
 53  1  1  A   54  ILE  A   54  .  ?        ?  
 54  1  1  A   55  GLU  A   55  .  ?        ?  
 55  1  1  A   56  LYS  A   56  .  ?        ?  
 56  1  1  A   57  LEU  A   57  .  ?        2  
 57  1  1  A   58  LYS  A   58  .  ?        ?  
 58  1  1  A   59  GLU  A   59  .  ?        ?  
 59  1  1  A   60  ALA  A   60  .  ?        ?  
 60  1  1  A   61  GLY  A   61  .  ?        ?  
 61  1  1  A   62  LEU  A   62  .  ?        2  
 62  1  1  A   63  VAL  A   63  .  ?        ?  
 63  1  1  A   64  GLU  A   64  .  ?        2  
 64  1  1  A   65  VAL  A   65  .  ?        ?  
 65  1  1  A   66  LYS  A   66  .  ?        2  
 66  1  1  A   67  ARG  A   67  .  ?        1  
 67  1  1  A   68  THR  A   68  .  ?        ?  
 68  1  1  A   69  GLU  A   69  .  ?        ?  
 69  1  1  A   70  MSE  A   70  .  ?        1  
 70  1  1  A   71  LYS  A   71  .  ?        ?  
 71  1  1  A   72  GLY  A   72  .  ?        1  
 72  1  1  A   73  ASN  A   73  .  ?        ?  
 73  1  1  A   74  LEU  A   74  .  ?        ?  
 74  1  1  A   75  VAL  A   75  .  ?        ?  
 75  1  1  A   76  GLU  A   76  .  ?        ?  
 76  1  1  A   77  LYS  A   77  .  ?        ?  
 77  1  1  A   78  TYR  A   78  .  ?        ?  
 78  1  1  A   79  TYR  A   79  .  ?        ?  
 79  1  1  A   80  GLY  A   80  .  ?        ?  
 80  1  1  A   81  ARG  A   81  .  ?        1  
 81  1  1  A   82  THR  A   82  .  ?        1  
 82  1  1  A   83  ALA  A   83  .  ?        ?  
 83  1  1  A   84  ASP  A   84  .  ?        2  
 84  1  1  A   85  VAL  A   85  .  ?        ?  
 85  1  1  A   86  PHE  A   86  .  ?        ?  
 86  1  1  A   87  TYR  A   87  .  ?        ?  
 87  1  1  A   88  ILE  A   88  .  ?        ?  
 88  1  1  A   89  ASN  A   89  .  ?        3  
 89  1  1  A   90  LEU  A   90  .  ?        1  
 90  1  1  A   91  TYR  A   91  .  ?        ?  
 91  1  1  A   92  LEU  A   92  .  ?        3  
 92  1  1  A   93  GLY  A   93  .  ?        ?  
 93  1  1  A   94  ASP  A   94  .  ?        ?  
 94  1  1  A   95  GLU  A   95  .  ?        ?  
 95  1  1  A   96  GLU  A   96  .  ?        ?  
 96  1  1  A   97  LEU  A   97  .  ?        ?  
 97  1  1  A   98  ARG  A   98  .  ?        ?  
 98  1  1  A   99  TYR  A   99  .  ?        ?  
 99  1  1  A  100  ILE  A  100  .  ?        1  
100  1  1  A  101  ALA  A  101  .  ?        ?  
101  1  1  A  102  ARG  A  102  .  ?        1  
102  1  1  A  103  SER  A  103  .  ?        ?  
103  1  1  A  104  ARG  A  104  .  ?        1  
104  1  1  A  105  LEU  A  105  .  ?        ?  
105  1  1  A  106  LYS  A  106  .  ?        1  
106  1  1  A  107  THR  A  107  .  ?        ?  
107  1  1  A  108  LYS  A  108  .  ?        ?  
108  1  1  A  109  ILE  A  109  .  ?        ?  
109  1  1  A  110  ASP  A  110  .  ?        ?  
110  1  1  A  111  ILE  A  111  .  ?        ?  
111  1  1  A  112  PHE  A  112  .  ?        ?  
112  1  1  A  113  LYS  A  113  .  ?        ?  
113  1  1  A  114  ARG  A  114  .  ?        6  
114  1  1  A  115  LEU  A  115  .  ?        ?  
115  1  1  A  116  GLY  A  116  .  ?        ?  
116  1  1  A  117  TYR  A  117  .  ?        ?  
117  1  1  A  118  GLN  A  118  .  ?        ?  
118  1  1  A  119  PHE  A  119  .  ?        1  
119  1  1  A  120  GLU  A  120  .  ?        1  
120  1  1  A  121  GLU  A  121  .  ?        ?  
121  1  1  A  122  ASN  A  122  .  ?        1  
122  1  1  A  123  GLU  A  123  .  ?        1  
123  1  1  A  124  LEU  A  124  .  ?        3  
124  1  1  A  125  LEU  A  125  .  ?        ?  
125  1  1  A  126  ASN  A  126  .  ?        ?  
126  1  1  A  127  ILE  A  127  .  ?        4  
127  1  1  A  128  MSE  A  128  .  ?        1  
128  1  1  A  129  ASP  A  129  .  ?        ?  
129  1  1  A  130  ARG  A  130  .  ?        ?  
130  1  1  A  131  MSE  A  131  .  ?        1  
131  1  1  A  132  SER  A  132  .  ?        ?  
132  1  1  A  133  GLN  A  133  .  ?        ?  
133  1  1  A  134  LYS  A  134  .  ?        1  
134  1  1  A  135  GLU  A  135  .  ?        3  
135  1  1  A  136  PHE  A  136  .  ?        ?  
136  1  1  A  137  ASP  A  137  .  ?        ?  
137  1  1  A  138  ALA  A  138  .  ?        1  
138  1  1  A  139  THR  A  139  .  ?        ?  
139  1  1  A  140  VAL  A  140  .  ?        1  
140  1  1  A  141  ARG  A  141  .  ?        ?  
141  1  1  A  142  ILE  A  142  .  ?        5  
142  1  1  A  143  SER  A  143  .  ?        1  
143  1  1  A  144  LYS  A  144  .  ?        ?  
144  1  1  A  145  TYR  A  145  .  ?        ?  
145  1  1  A  146  ILE  A  146  .  ?        1  
146  1  1  A  147  GLU  A  147  .  ?        1  
147  1  1  A  148  GLU  A  148  .  ?        ?  
148  1  1  A  149  LYS  A  149  .  ?        ?  
149  1  1  A  150  GLU  A  150  .  ?        2  
150  1  1  A  151  ASP  A  151  .  ?        ?  
151  1  1  A  152  ALA  A  152  .  ?        ?  
152  1  1  A  153  LEU  A  153  .  ?        ?  
153  1  1  A  154  LYS  A  154  .  ?        ?  
154  1  1  A  155  ASP  A  155  .  ?        ?  
155  1  1  A  156  PHE  A  156  .  ?        ?  
156  1  1  A  157  SER  A  157  .  ?        ?  
157  1  1  A  158  ASN  A  158  .  ?        ?  
158  1  1  A  159  GLU  A  159  .  ?        ?  
159  1  1  A  160  ASP  A  160  .  ?        ?  
160  1  1  A  161  ILE  A  161  .  ?        ?  
161  1  1  A  162  ILE  A  162  .  ?        ?  
162  1  1  A  163  HIS  A  163  .  ?        ?  
163  1  1  A  164  ALA  A  164  .  ?        ?  
164  1  1  A  165  ILE  A  165  .  ?        2  
165  1  1  A  166  GLU  A  166  .  ?        ?  
166  1  1  A  167  TRP  A  167  .  ?        ?  
167  1  1  A  168  LEU  A  168  .  ?        ?  
168  1  1  A  169  SER  A  169  .  ?        ?  
169  1  1  A  170  THR  A  170  .  ?        ?  
170  1  1  A  171  ALA  A  171  .  ?        ?  
171  1  1  A  172  GLU  A  172  .  ?        ?  
172  1  1  A  173  LEU  A  173  .  ?        2  
173  1  1  A  174  ALA  A  174  .  ?        ?  
174  1  1  A  175  ARG  A  175  .  ?        ?  
175  1  1  A  176  ASP  A  176  .  ?        ?  
176  1  1  A  177  GLU  A  177  .  ?        ?  
177  1  1  A  178  GLU  A  178  .  ?        1  
178  1  1  A  179  TYR  A  179  .  ?        ?  
179  1  1  A  180  LEU  A  180  .  ?        ?  
180  1  1  A  181  GLU  A  181  .  ?        ?  
181  1  1  A  182  LEU  A  182  .  ?        ?  
182  1  1  A  183  LEU  A  183  .  ?        ?  
183  1  1  A  184  LYS  A  184  .  ?        ?  
184  1  1  A  185  ARG  A  185  .  ?        2  
185  1  1  A  186  LEU  A  186  .  ?        ?  
186  1  1  A  187  GLY  A  187  .  ?        1  
187  1  1  A  188  SER  A  188  .  ?        ?  
188  1  1  A  189  ILE  A  189  .  ?        4  
189  1  1  A  190  LEU  A  190  .  ?        ?  
190  1  1  A  191  LYS  A  191  .  ?        1  
191  1  2  B    .  HOH  A  193  .  ?        ?  
192  1  2  B    .  HOH  A  194  .  ?        ?  
193  1  2  B    .  HOH  A  195  .  ?        ?  
194  1  2  B    .  HOH  A  196  .  ?        ?  
195  1  2  B    .  HOH  A  197  .  ?        ?  
196  1  2  B    .  HOH  A  198  .  ?        ?  
197  1  2  B    .  HOH  A  199  .  ?        ?  
198  1  2  B    .  HOH  A  200  .  ?        ?  
199  1  2  B    .  HOH  A  201  .  ?        ?  
200  1  2  B    .  HOH  A  202  .  ?        ?  
201  1  2  B    .  HOH  A  203  .  ?        ?  
202  1  2  B    .  HOH  A  204  .  ?        ?  
203  1  2  B    .  HOH  A  205  .  ?        ?  
204  1  2  B    .  HOH  A  206  .  ?        ?  
205  1  2  B    .  HOH  A  207  .  ?        ?  
206  1  2  B    .  HOH  A  208  .  ?        ?  
207  1  2  B    .  HOH  A  209  .  ?        ?  
208  1  2  B    .  HOH  A  210  .  ?        ?  
209  1  2  B    .  HOH  A  211  .  ?        ?  
210  1  2  B    .  HOH  A  212  .  ?        ?  
211  1  2  B    .  HOH  A  213  .  ?        ?  
212  1  2  B    .  HOH  A  214  .  ?        ?  
213  1  2  B    .  HOH  A  215  .  ?        ?  
214  1  2  B    .  HOH  A  216  .  ?        ?  
215  1  2  B    .  HOH  A  217  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?           ?     4  47.640     5  0.71     7  0.21  molprobity  1.000  
  2    2  OUTLIER  -101.0   -26.0  Favored     ?    13  45.590     9  0.29    11  0.50  molprobity  1.000  
  3    3  mttm      -78.8   -46.6  Favored     ?    13  39.140     9  0.26    11  0.41  molprobity  1.000  
  4    4  t        -131.1   144.7  Favored     ?     9  28.110     7  0.32    10  0.63  molprobity  1.000  
  5    5  tttt     -143.4   124.2  Favored     ?    13  26.520     9  0.27    11  0.44  molprobity  1.000  
  6    6  t         -96.9   127.9  Favored     ?     9  25.210     7  0.25    10  0.60  molprobity  1.000  
  7    7  mt       -110.5   123.5  Favored     ?    11  27.060     8  0.34    11  0.60  molprobity  1.000  
  8    8  p        -118.2    -1.1  Favored     ?     7  33.570     7  0.23    10  0.60  molprobity  1.000  
  9    9  t0        -80.3   105.5  Favored     ?     4  33.070     8  0.32    12  0.66  molprobity  1.000  
 10   10  Cg_exo    -46.0   -36.9  Favored     ?     7  35.170     8  0.18    11  0.59  molprobity  1.000  
 11   11  mm-40     -69.3   -41.4  Favored     ?     6  38.410     9  0.31    12  0.52  molprobity  1.000  
 12   12  OUTLIER   -73.0   -41.9  Favored     ?     9  22.740     7  0.53    10  0.50  molprobity  1.000  
 13   13  mt        -53.2   -47.8  Favored     ?    11  19.550     8  0.22    11  0.68  molprobity  1.000  
 14   14  mttt      -57.3   -40.8  Favored     ?    13  26.710     9  0.22    11  0.24  molprobity  1.000  
 15   15  t         -66.2   -40.2  Favored     ?     9  26.130     6  0.38     7  0.79  molprobity  1.000  
 16   16  ptm       -78.3    -7.8  Favored     ?     9  25.250     8  1.83    10  0.77  molprobity  1.000  
 17   17  mp        -77.8   -26.6  Favored     ?    11  35.640     8  0.18    11  0.45  molprobity  1.000  
 18   18  tm-20     -47.7   137.6  Favored     ?     6  36.120     9  0.29    12  0.60  molprobity  1.000  
 19   19  OUTLIER   -52.6   -54.6  Favored     ?     4  37.540     8  0.16    11  0.73  molprobity  1.000  
 20   20  m         -63.9   -40.0  Favored     ?     7  28.300     7  0.24    10  0.63  molprobity  1.000  
 21   21  OUTLIER   -57.3   -42.9  Favored     ?    13  27.490    11  0.21    14  0.41  molprobity  1.000  
 22   22  mtt-85    -56.7   -54.0  Favored     ?    13  40.030    11  0.25    14  0.43  molprobity  1.000  
 23   23  mttm      -56.0   -40.4  Favored     ?    13  27.470     9  0.25    11  0.27  molprobity  1.000  
 24   24  mt        -60.2   -51.5  Favored     ?    11  16.150     8  0.17    11  0.54  molprobity  1.000  
 25   25  mt        -57.7   -44.2  Favored     ?    11  19.790     8  0.24    11  0.35  molprobity  1.000  
 26   26  tttp      -59.2   -45.4  Favored     ?    13  32.540     9  0.30    11  0.48  molprobity  1.000  
 27   27  mt        -62.2   -43.6  Favored     ?    11  24.300     8  0.18    11  0.85  molprobity  1.000  
 28   28  OUTLIER   -63.4    -9.4  Favored     ?    11  21.820     8  0.30    11  0.60  molprobity  1.000  
 29   29  mtp180    -71.2   -31.2  Favored     ?    13  40.680    11  0.22    14  0.33  molprobity  1.000  
 30   30  m-80      -65.3   -39.0  Favored     ?     6  31.610     8  0.20    11  0.42  molprobity  1.000  
 31   31  ptmt      173.0   167.8  Allowed     ?    13  36.280     9  0.23    11  0.44  molprobity  1.000  
 32   32  pt-20     -73.9   135.3  Favored     ?     6  34.990     8  0.26     9  0.48  molprobity  1.000  
 33   33  mtt      -129.8   161.8  Favored     ?     9  19.970     8  1.85    10  0.57  molprobity  1.000  
 34   34  p         -92.5   170.5  Favored     ?     7  20.380     7  0.20    10  0.76  molprobity  1.000  
 35   35  mt        -60.5   -33.9  Favored     ?    11  19.840     8  0.17    11  0.45  molprobity  1.000  
 36   36  m         -67.0   -53.0  Favored     ?     5  20.300     6  0.34     8  0.24  molprobity  1.000  
 37   37  mt-30     -55.1   -49.7  Favored     ?     8  23.760     9  0.20    12  0.36  molprobity  1.000  
 38   38  mm?       -54.2   -47.8  Favored     ?    11  26.750     8  0.22    11  1.12  molprobity  1.000  
 39   39  t         -50.5   -53.3  Favored     ?     5  27.010     6  0.23     8  0.39  molprobity  1.000  
 40   40  tp10      -59.0   -40.6  Favored     ?     6  37.280     9  0.27    12  0.39  molprobity  1.000  
 41   41  mt        -74.0   -42.1  Favored     ?    11  26.590     8  0.20    11  0.63  molprobity  1.000  
 42   42  OUTLIER   -83.2    -3.3  Favored     ?    11  22.690     8  0.16    11  0.85  molprobity  1.000  
 43   43  ?          61.3    22.8  Favored     ?     3  21.850     4  0.28     5  0.52  molprobity  1.000  
 44   44  OUTLIER  -109.8   149.1  Favored     ?    13  27.490     9  0.28    11  0.42  molprobity  1.000  
 45   45  m         -63.3   148.5  Favored     ?     7  25.890     7  0.43    11  0.51  molprobity  1.000  
 46   46  Cg_exo    -58.4   -42.4  Favored     ?     7  25.860     8  0.19    11  0.66  molprobity  1.000  
 47   47  OUTLIER   -63.6   -39.8  Favored     1     8  33.850     9  0.22    12  0.39  molprobity  1.000  
 48   48  OUTLIER   -65.6   -44.3  Favored     ?     7  25.280     7  0.44    10  0.52  molprobity  1.000  
 49   49  mm        -62.4   -38.9  Favored     ?    11  22.550     8  0.23    11  0.66  molprobity  1.000  
 50   50  t80       -53.2   -45.0  Favored     ?     9  18.950    13  0.25    18  0.32  molprobity  1.000  
 51   51  m80       -69.0   -39.5  Favored     ?     7  27.760    11  0.14    15  0.20  molprobity  1.000  
 52   52  m-70      -62.9   -50.6  Favored     ?     7  25.380    11  0.14    15  0.31  molprobity  1.000  
 53   53  mm        -58.4   -41.5  Favored     ?    11  17.630     8  0.20    11  0.46  molprobity  1.000  
 54   54  mm-40     -57.9   -46.6  Favored     ?     6  30.320     9  0.21    12  0.45  molprobity  1.000  
 55   55  mptt      -61.1   -48.2  Favored     ?    13  34.180     9  0.27    11  0.44  molprobity  1.000  
 56   56  mt        -62.7   -36.4  Favored     ?    11  24.690     8  0.21    11  0.52  molprobity  1.000  
 57   57  tttt      -65.6   -48.3  Favored     ?    13  31.160     9  0.29    11  0.60  molprobity  1.000  
 58   58  tt0       -63.6   -24.0  Favored     ?     6  36.680     9  0.22    12  0.32  molprobity  1.000  
 59   59  ?         -91.0     2.8  Favored     ?     5  22.740     5  0.22     7  0.34  molprobity  1.000  
 60   60  ?          72.7    10.6  Favored     ?     3  20.430     4  0.30     5  0.15  molprobity  1.000  
 61   61  mt        -83.2   -26.7  Favored     ?    11  22.050     8  0.22    11  0.53  molprobity  1.000  
 62   62  m        -136.1   162.8  Favored     ?     9  21.290     7  0.33    10  0.69  molprobity  1.000  
 63   63  pt-20    -151.2   161.4  Favored     ?     6  26.260     9  0.37    12  0.41  molprobity  1.000  
 64   64  t         -81.4   118.5  Favored     ?     9  20.150     7  0.22    10  0.60  molprobity  1.000  
 65   65  mmtp      -86.8   -26.2  Favored     ?    13  31.710     9  0.19    11  0.35  molprobity  1.000  
 66   66  ptt-85    178.6   159.5  Allowed     ?    13  32.860    11  0.24    14  0.41  molprobity  1.000  
 67   67  p        -119.3   157.5  Favored     ?     7  34.700     7  0.27    10  0.75  molprobity  1.000  
 68   68  tt0      -149.5   138.5  Favored     ?     6  36.790     8  0.21     9  0.29  molprobity  1.000  
 69   69  tpt       -79.7    84.7  Favored     ?     9  37.030     8  1.86    10  0.66  molprobity  1.000  
 70   70  mttt      -84.5    77.9  Favored     ?    13  31.870     9  0.24    11  0.43  molprobity  1.000  
 71   71  ?          80.0  -111.2  Favored     ?     3  32.820     4  0.33     5  0.41  molprobity  1.000  
 72   72  p-10     -101.5     6.2  Favored     ?     6  33.740     8  0.30    11  0.34  molprobity  1.000  
 73   73  tp       -133.0   124.9  Favored     ?    11  32.200     8  0.21    11  0.55  molprobity  1.000  
 74   74  t         -86.7   114.7  Favored     ?     9  28.690     7  0.15    10  0.73  molprobity  1.000  
 75   75  mt-10    -112.1   155.2  Favored     ?     6  29.100     9  0.28    12  0.63  molprobity  1.000  
 76   76  mttt     -105.5   141.4  Favored     ?    13  24.750     9  0.26    11  0.40  molprobity  1.000  
 77   77  m-85     -101.5   120.7  Favored     ?     9  27.230    13  0.38    18  0.50  molprobity  1.000  
 78   78  m-85     -100.8   141.8  Favored     ?     9  22.800    13  0.36    18  0.41  molprobity  1.000  
 79   79  ?        -137.1   152.3  Favored     ?     3  28.020     4  0.38     5  0.91  molprobity  1.000  
 80   80  mtp85     -62.1   151.6  Favored     ?    13  22.700    11  0.16    14  0.55  molprobity  1.000  
 81   81  m         -76.8   -17.3  Favored     ?     7  28.960     7  0.32    10  0.50  molprobity  1.000  
 82   82  ?        -155.2   149.6  Favored     ?     5  22.760     5  0.26     7  0.26  molprobity  1.000  
 83   83  m-20      -62.1   -39.4  Favored     ?     4  32.360     8  0.16    11  0.33  molprobity  1.000  
 84   84  t        -138.1   139.8  Favored     ?     9  23.580     7  0.26    10  0.61  molprobity  1.000  
 85   85  m-85     -113.5   141.4  Favored     ?     9  20.880    12  0.58    16  0.54  molprobity  1.000  
 86   86  m-85     -123.5   132.3  Favored     ?     9  23.320    13  0.33    18  0.45  molprobity  1.000  
 87   87  pt       -124.4   162.5  Favored     ?    11  25.370     8  0.33    11  0.72  molprobity  1.000  
 88   88  t30      -131.3   109.3  Favored     ?     6  35.990     8  0.43    11  0.58  molprobity  1.000  
 89   89  mt        -77.3    -5.0  Favored     ?    11  31.860     8  0.26    11  0.53  molprobity  1.000  
 90   90  m-85     -113.5    59.5  Allowed     ?     9  23.650    13  0.33    18  0.45  molprobity  1.000  
 91   91  mt       -105.0    24.2  Favored     ?    11  40.730     8  0.15    11  0.56  molprobity  1.000  
 92   92  ?          79.7    -4.0  Favored     ?     3  31.020     4  0.34     5  0.49  molprobity  1.000  
 93   93  t70       -77.6   118.3  Favored     ?     4  25.030     8  0.15    11  0.41  molprobity  1.000  
 94   94  tt0       -51.8   -51.5  Favored     ?     6  29.280     9  0.21    12  0.52  molprobity  1.000  
 95   95  tt0       -61.2   -36.7  Favored     ?     6  26.820     9  0.25    12  0.31  molprobity  1.000  
 96   96  mt        -65.2   -39.1  Favored     ?    11  23.880     8  0.18    11  0.59  molprobity  1.000  
 97   97  mmm-85    -60.3   -39.7  Favored     ?    13  18.350    11  0.24    14  0.46  molprobity  1.000  
 98   98  m-85      -73.9   -23.5  Favored     ?     9  24.860    13  0.40    18  0.36  molprobity  1.000  
 99   99  mt        -74.1   -42.8  Favored     ?    11  22.390     8  0.20    11  0.78  molprobity  1.000  
100  100  ?         -58.9   -45.2  Favored     ?     5  20.430     5  0.19     7  0.43  molprobity  1.000  
101  101  OUTLIER   -68.5   -29.9  Favored     ?    13  24.910    11  0.15    14  0.34  molprobity  1.000  
102  102  m         -67.2   -40.9  Favored     ?     5  26.530     6  0.21     8  0.57  molprobity  1.000  
103  103  mtp180    -68.7   -42.5  Favored     ?    13  35.960    11  0.21    14  0.44  molprobity  1.000  
104  104  mt        -67.9   -27.4  Favored     ?    11  20.060     8  0.26    11  0.39  molprobity  1.000  
105  105  mtpt      -74.3   -32.4  Favored     ?    13  24.620     9  0.27    11  0.22  molprobity  1.000  
106  106  m         -60.6   -40.8  Favored     ?     7  22.410     7  0.32    10  0.63  molprobity  1.000  
107  107  mtmm      -70.6   -27.4  Favored     ?    13  31.710     9  0.30    11  0.39  molprobity  1.000  
108  108  mt        -71.2   -35.6  Favored     ?    11  23.990     8  0.19    11  0.46  molprobity  1.000  
109  109  m-20      -63.5   -38.8  Favored     ?     4  32.330     8  0.13    11  0.69  molprobity  1.000  
110  110  mt        -62.2   -41.8  Favored     ?    11  19.800     8  0.18    11  0.48  molprobity  1.000  
111  111  m-85      -61.5   -54.4  Favored     ?     9  23.540    12  0.53    16  0.28  molprobity  1.000  
112  112  mttm      -59.3   -40.3  Favored     ?    13  28.520     9  0.29    11  0.36  molprobity  1.000  
113  113  OUTLIER   -61.4   -30.9  Favored     ?    13  35.340    11  0.23    14  0.46  molprobity  1.000  
114  114  mt        -86.2     1.3  Favored     ?    11  30.580     8  0.19    11  0.50  molprobity  1.000  
115  115  ?          97.0     4.5  Favored     ?     3  28.420     4  0.25     5  0.92  molprobity  1.000  
116  116  m-85      -80.4   130.3  Favored     ?     9  31.180    13  0.31    18  0.33  molprobity  1.000  
117  117  mt-30    -111.7   135.4  Favored     ?     8  34.260     9  0.22    12  0.31  molprobity  1.000  
118  118  p90      -174.1   173.9  Favored     ?     9  27.920    12  0.63    16  0.39  molprobity  1.000  
119  119  tm-20     -89.7   101.3  Favored     ?     6  31.890     9  0.23    12  0.60  molprobity  1.000  
120  120  pm0       -50.0   -33.9  Favored     ?     6  35.330     9  0.17    12  0.74  molprobity  1.000  
121  121  m-80      -63.5   -45.5  Favored     ?     6  32.190     8  0.20    11  0.29  molprobity  1.000  
122  122  tt0       -66.8   -46.4  Favored     ?     6  32.490     9  0.23    12  0.32  molprobity  1.000  
123  123  OUTLIER   -56.4   -51.2  Favored     ?    11  25.950     8  0.20    11  0.50  molprobity  1.000  
124  124  tp        -53.1   -42.8  Favored     ?    11  23.940     8  0.22    11  0.31  molprobity  1.000  
125  125  m-20      -63.6   -45.2  Favored     ?     6  31.400     8  0.19    11  0.35  molprobity  1.000  
126  126  mt        -66.6   -36.5  Favored     ?    11  26.940     7  0.12     8  0.54  molprobity  1.000  
127  127  mtp       -70.6   -41.9  Favored     ?     9  15.080     8  1.81    10  0.42  molprobity  1.000  
128  128  t70       -64.0   -40.4  Favored     ?     4  23.380     8  0.17    11  0.41  molprobity  1.000  
129  129  mtt180    -68.8   -45.1  Favored     ?    13  33.170    10  0.17    11  0.41  molprobity  1.000  
130  130  mtp       -60.5   -44.6  Favored     ?     9  10.010     8  1.77    10  0.52  molprobity  1.000  
131  131  t         -64.9   -37.2  Favored     ?     5  21.010     6  0.31     8  0.33  molprobity  1.000  
132  132  tt0       -65.5   -44.0  Favored     ?     8  16.540     9  0.27    12  0.41  molprobity  1.000  
133  133  mmtt      -61.4   -43.8  Favored     ?    13  24.680     9  0.29    11  0.54  molprobity  1.000  
134  134  mt-10     -64.3   -45.0  Favored     ?     6  33.920     9  0.18    12  0.36  molprobity  1.000  
135  135  m-85      -62.8   -42.3  Favored     ?     9  23.900    12  0.56    16  0.31  molprobity  1.000  
136  136  m-20      -64.9   -37.3  Favored     ?     4  21.740     8  0.17    11  0.38  molprobity  1.000  
137  137  ?         -70.9   -42.0  Favored     ?     5  19.050     5  0.20     7  0.28  molprobity  1.000  
138  138  m         -66.9   -37.6  Favored     ?     7  18.690     7  0.14    10  0.53  molprobity  1.000  
139  139  t         -67.1   -42.9  Favored     ?     9  19.340     7  0.29    10  0.81  molprobity  1.000  
140  140  OUTLIER   -55.8   -49.1  Favored     ?    13  37.250    11  0.17    14  0.54  molprobity  1.000  
141  141  OUTLIER   -81.4   -30.2  Favored     ?    11  20.700     8  0.44    11  0.54  molprobity  1.000  
142  142  p         -68.0   -24.9  Favored     ?     5  20.570     6  0.29     8  0.32  molprobity  1.000  
143  143  mttm      -71.2   -42.5  Favored     ?    13  28.300     9  0.24    11  0.34  molprobity  1.000  
144  144  t80       -64.8   -32.2  Favored     ?     9  25.450    13  0.30    18  0.31  molprobity  1.000  
145  145  mm        -69.2   -44.1  Favored     ?    11  27.820     8  0.22    11  0.87  molprobity  1.000  
146  146  tt0       -54.6   -36.2  Favored     ?     6  39.960     9  0.25    12  0.63  molprobity  1.000  
147  147  pt-20     -87.8   -11.1  Favored     ?     6  38.650     9  0.28    12  0.41  molprobity  1.000  
148  148  mptt     -110.5    21.0  Favored     ?    13  34.770     9  0.29    11  0.38  molprobity  1.000  
149  149  mt-10     -53.5   -38.6  Favored     ?     6  38.560     9  0.16    12  0.54  molprobity  1.000  
150  150  m-20      -57.5   -32.1  Favored     ?     4  42.710     8  0.19    11  0.39  molprobity  1.000  
151  151  ?         -79.9    -6.4  Favored     ?     5  34.290     5  0.17     7  0.33  molprobity  1.000  
152  152  mp       -116.2     6.6  Favored     ?    11  36.750     8  0.21    11  0.74  molprobity  1.000  
153  153  ptmm?     -49.7   -25.6  Favored     ?    13  43.240     9  0.23    11  0.40  molprobity  1.000  
154  154  p-10      -88.5    14.1  Favored     ?     4  44.870     8  0.23    11  0.65  molprobity  1.000  
155  155  m-85     -124.2   150.5  Favored     ?     9  30.410    12  0.56    16  0.40  molprobity  1.000  
156  156  p         -73.1   153.3  Favored     ?     5  28.550     6  0.23     8  0.48  molprobity  1.000  
157  157  m-20      -65.0   -26.2  Favored     ?     6  29.400     8  0.23    11  0.26  molprobity  1.000  
158  158  tt0       -66.3   -46.9  Favored     ?     6  36.420     9  0.24    12  0.26  molprobity  1.000  
159  159  m-20      -63.5   -40.3  Favored     ?     4  27.920     8  0.18    11  0.40  molprobity  1.000  
160  160  mt        -63.7   -44.0  Favored     ?    11  22.500     8  0.17    11  0.48  molprobity  1.000  
161  161  mt        -59.2   -49.8  Favored     ?    11  17.320     8  0.20    11  0.50  molprobity  1.000  
162  162  m80       -65.5   -28.7  Favored     ?     7  32.670    11  0.17    15  0.24  molprobity  1.000  
163  163  ?         -68.5   -41.5  Favored     ?     5  19.560     5  0.18     7  0.43  molprobity  1.000  
164  164  mt        -60.7   -37.9  Favored     ?    11  16.100     8  0.19    11  0.42  molprobity  1.000  
165  165  mt-10     -59.9   -49.1  Favored     ?     6  32.250     9  0.14    12  0.35  molprobity  1.000  
166  166  m95       -61.9   -48.3  Favored     ?    10  17.880    16  0.27    23  0.20  molprobity  1.000  
167  167  mt        -62.0   -38.4  Favored     ?    11  20.470     8  0.23    11  0.52  molprobity  1.000  
168  168  t         -68.4   -39.3  Favored     ?     5  24.600     6  0.23     8  0.30  molprobity  1.000  
169  169  m         -66.3   -41.5  Favored     ?     7  20.790     7  0.28    10  0.54  molprobity  1.000  
170  170  ?         -60.8   -33.1  Favored     ?     5  22.630     5  0.17     7  0.45  molprobity  1.000  
171  171  mm-40     -65.9   -56.8  Favored     ?     6  32.740     9  0.17    12  0.34  molprobity  1.000  
172  172  mt        -54.1   -33.6  Favored     ?    11  20.620     8  0.27    11  0.37  molprobity  1.000  
173  173  ?         -64.6   -19.8  Favored     ?     5  20.660     5  0.21     7  0.38  molprobity  1.000  
174  174  mtm-85    -92.2    -1.9  Favored     ?    13  24.890    11  0.25    14  0.39  molprobity  1.000  
175  175  t0        -99.3   101.7  Favored     ?     4  28.330     8  0.18    11  0.33  molprobity  1.000  
176  176  mt-10     -58.1   -32.3  Favored     ?     6  36.180     9  0.24    12  0.42  molprobity  1.000  
177  177  tt0       -63.8   -43.6  Favored     ?     6  30.370     9  0.24    12  0.61  molprobity  1.000  
178  178  t80       -61.4   -47.4  Favored     ?     9  20.880    13  0.42    18  0.34  molprobity  1.000  
179  179  mt        -55.9   -43.7  Favored     ?    11  25.740     8  0.18    11  0.39  molprobity  1.000  
180  180  tt0       -64.6   -41.5  Favored     ?     6  27.520     9  0.16    12  0.30  molprobity  1.000  
181  181  mt        -63.1   -40.6  Favored     ?    11  18.370     8  0.21    11  0.44  molprobity  1.000  
182  182  tp        -62.4   -38.3  Favored     ?    11  16.490     8  0.19    11  0.39  molprobity  1.000  
183  183  mtmm      -73.0   -34.5  Favored     ?    13  29.690     9  0.29    11  0.24  molprobity  1.000  
184  184  OUTLIER   -63.9   -42.7  Favored     ?    13  31.900    11  0.27    14  0.48  molprobity  1.000  
185  185  tp        -56.8   -43.5  Favored     ?    11  21.510     8  0.28    11  0.51  molprobity  1.000  
186  186  ?         -61.2   -26.1  Favored     ?     3  24.630     4  0.29     5  0.17  molprobity  1.000  
187  187  m         -86.6   -39.1  Favored     ?     5  31.050     6  0.29     8  0.41  molprobity  1.000  
188  188  mt        -72.1   -39.2  Favored     ?    11  32.330     8  0.18    11  0.84  molprobity  1.000  
189  189  mt        -99.8    93.2  Favored     ?    11  31.850     8  0.26    11  0.96  molprobity  1.000  
190  190  OUTLIER       ?       ?  ?           ?    13  46.860     8  0.47     8  0.43  molprobity  1.000  
191  191  ?             ?       ?  ?           ?     ?  17.870     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?     ?  13.520     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?     ?  30.210     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?     ?  20.640     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?     ?  32.680     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?     ?  24.750     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?     ?  28.860     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?     ?  37.890     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?     ?  23.000     ?     ?     ?     ?  ?           1.000  
200  200  ?             ?       ?  ?           ?     ?  17.770     ?     ?     ?     ?  ?           1.000  
201  201  ?             ?       ?  ?           ?     ?  16.910     ?     ?     ?     ?  ?           1.000  
202  202  ?             ?       ?  ?           ?     ?  29.570     ?     ?     ?     ?  ?           1.000  
203  203  ?             ?       ?  ?           ?     ?  34.240     ?     ?     ?     ?  ?           1.000  
204  204  ?             ?       ?  ?           ?     ?  20.530     ?     ?     ?     ?  ?           1.000  
205  205  ?             ?       ?  ?           ?     ?  33.950     ?     ?     ?     ?  ?           1.000  
206  206  ?             ?       ?  ?           ?     ?  33.520     ?     ?     ?     ?  ?           1.000  
207  207  ?             ?       ?  ?           ?     ?  19.180     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?     ?  19.250     ?     ?     ?     ?  ?           1.000  
209  209  ?             ?       ?  ?           ?     ?  29.760     ?     ?     ?     ?  ?           1.000  
210  210  ?             ?       ?  ?           ?     ?  18.260     ?     ?     ?     ?  ?           1.000  
211  211  ?             ?       ?  ?           ?     ?  30.720     ?     ?     ?     ?  ?           1.000  
212  212  ?             ?       ?  ?           ?     ?  29.820     ?     ?     ?     ?  ?           1.000  
213  213  ?             ?       ?  ?           ?     ?  33.460     ?     ?     ?     ?  ?           1.000  
214  214  ?             ?       ?  ?           ?     ?  42.520     ?     ?     ?     ?  ?           1.000  
215  215  ?             ?       ?  ?           ?     ?  32.570     ?     ?     ?     ?  ?           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  HB3    1  0.43  2.38  
  2    2  HD2    2  0.61  2.00  
  3    2  HD2    3  0.42  2.40  
  4    2  O      2  0.61  2.00  
  5    2  HE3    4  0.42  1.91  
  6    2  HB3    4  0.42  1.91  
  7    2  C      3  0.42  2.40  
  8    3  HA     5  0.68  1.92  
  9    3  HB2    6  0.51  2.10  
 10    3  O      7  0.50  2.12  
 11    5  HA     8  0.51  2.10  
 12    5  NZ     9  0.43  2.33  
 13    7  HG21  10  0.64  2.27  
 14    7  HG21  11  0.52  1.89  
 15    8  O     12  0.54  2.08  
 16    8  O     13  0.50  2.11  
 17    9  HB3   14  0.60  1.81  
 18   10  HD3   13  0.50  2.11  
 19   11  O     15  0.50  2.11  
 20   12  CG2   10  0.64  2.27  
 21   12  HG13  14  0.60  1.81  
 22   12  HG22  11  0.52  1.89  
 23   13  O     16  0.58  2.03  
 24   15  HG23  15  0.50  2.11  
 25   16  HB3   17  0.64  2.27  
 26   16  HB3   18  0.55  1.88  
 27   17  HD13  16  0.58  2.03  
 28   17  HD23  19  0.45  1.98  
 29   21  HG2   20  0.54  1.89  
 30   21  HG3   21  0.51  1.93  
 31   27  HD11  22  0.61  1.83  
 32   27  CD1   23  0.44  2.47  
 33   28  HB3   24  0.49  1.93  
 34   32  OE2   25  0.47  2.47  
 35   36  O     26  0.43  2.19  
 36   39  HB3   26  0.43  2.19  
 37   42  HD13  22  0.61  1.83  
 38   42  HD13  23  0.44  2.47  
 39   45  HG21  27  0.89  1.36  
 40   45  HG21  28  0.64  2.12  
 41   45  HG21  29  0.45  1.95  
 42   45  CG2   30  0.81  2.10  
 43   45  O     31  0.75  1.87  
 44   45  HG22  32  0.70  1.72  
 45   45  HB    33  0.56  1.87  
 46   45  HB    34  0.55  2.36  
 47   47  HE21  27  0.89  1.36  
 48   47  HG3   30  0.81  2.10  
 49   47  HG3   32  0.70  1.72  
 50   47  HG3   29  0.45  1.95  
 51   47  NE2   28  0.64  2.12  
 52   48  HG23  31  0.75  1.87  
 53   48  HG22  33  0.56  1.87  
 54   48  CG2   34  0.55  2.36  
 55   56  HD21  20  0.54  1.89  
 56   56  HD11  21  0.51  1.93  
 57   61  CD1   17  0.64  2.27  
 58   61  HD11  18  0.55  1.88  
 59   63  HG3   35  0.47  1.95  
 60   63  CG    36  0.41  2.50  
 61   65  HE3   35  0.47  1.95  
 62   65  HE3   36  0.41  2.50  
 63   66  NH1   25  0.47  2.47  
 64   69  HE2   37  0.49  2.12  
 65   71  O     37  0.49  2.12  
 66   80  HG3   24  0.49  1.93  
 67   81  HG21   9  0.43  2.33  
 68   83  OD2    5  0.68  1.92  
 69   83  HB2    7  0.50  2.12  
 70   88  HB3   38  0.66  1.77  
 71   88  HB2   39  0.56  1.87  
 72   88  O     40  0.46  2.15  
 73   89  HD11  41  0.59  2.17  
 74   91  HD21  38  0.66  1.77  
 75   91  HD13  12  0.54  2.08  
 76   91  HG    40  0.46  2.15  
 77   99  HG21  19  0.45  1.98  
 78  101  O     42  0.48  2.14  
 79  103  NH1   41  0.59  2.17  
 80  105  HG3   42  0.48  2.14  
 81  113  HB2   43  0.83  1.44  
 82  113  HB2   44  0.59  2.16  
 83  113  HH11  43  0.83  1.44  
 84  113  HH11  45  0.45  2.24  
 85  113  NH1   44  0.59  2.16  
 86  113  CB    45  0.45  2.24  
 87  118  CE1   46  0.44  2.52  
 88  119  OE1   47  0.50  2.11  
 89  121  HB2   47  0.50  2.11  
 90  122  OE2   48  0.60  2.01  
 91  123  HD22  49  0.47  1.97  
 92  123  HG    50  0.45  1.98  
 93  123  HD12  46  0.44  2.52  
 94  126  HD12  51  0.68  1.74  
 95  126  HD12  52  0.53  2.38  
 96  126  HD13  53  0.60  1.83  
 97  126  CD1   54  0.48  2.44  
 98  127  HG3   49  0.47  1.97  
 99  130  O     55  0.66  1.95  
100  133  HZ1   56  0.41  2.22  
101  134  HG3   55  0.66  1.95  
102  134  HG2   57  0.50  1.93  
103  134  HG2   58  0.49  2.43  
104  137  O     59  0.64  1.97  
105  139  HG21  39  0.56  1.87  
106  141  HD11  60  0.67  1.74  
107  141  HG23  59  0.64  1.97  
108  141  O     61  0.54  2.07  
109  141  CG1   62  0.51  2.41  
110  141  HG13  63  0.44  2.33  
111  142  N     63  0.44  2.33  
112  145  HG12  61  0.54  2.07  
113  146  OE2    8  0.51  2.10  
114  149  OE1    6  0.51  2.10  
115  149  CD     1  0.43  2.38  
116  164  HG12  60  0.67  1.74  
117  164  HG23  62  0.51  2.41  
118  172  HD11  57  0.50  1.93  
119  172  CD1   58  0.49  2.43  
120  177  CD    56  0.41  2.22  
121  184  HB3   53  0.60  1.83  
122  184  HB3   54  0.48  2.44  
123  186  O     64  0.67  1.94  
124  188  HD12  51  0.68  1.74  
125  188  HD11  48  0.60  2.01  
126  188  CD1   52  0.53  2.38  
127  188  HG21  50  0.45  1.98  
128  190  HD2   64  0.67  1.94  
#
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   5  0.798  0.303   2.501  
  2    2   9  0.715  0.339   1.741  
  3    3   9  0.934  0.212   0.167  
  4    4   7  0.907  0.180   0.337  
  5    5   9  0.927  0.160  -0.477  
  6    6   7  0.926  0.157  -0.049  
  7    7   8  0.936  0.126  -0.667  
  8    8   7  0.955  0.108  -0.714  
  9    9   8  0.917  0.151  -0.165  
 10   10   7  0.927  0.154   0.094  
 11   11   9  0.864  0.328   1.730  
 12   12   7  0.935  0.134  -0.434  
 13   13   8  0.919  0.147  -0.316  
 14   14   9  0.929  0.137  -0.762  
 15   15   7  0.956  0.147  -0.216  
 16   16   8  0.879  0.233       ?  
 17   17   8  0.931  0.143  -0.406  
 18   18   9  0.913  0.144  -0.555  
 19   19   8  0.923  0.172   0.131  
 20   20   7  0.878  0.153   0.016  
 21   21  11  0.921  0.164  -0.257  
 22   22  11  0.853  0.251   0.897  
 23   23   9  0.956  0.154  -0.551  
 24   24   8  0.919  0.161  -0.082  
 25   25   8  0.892  0.176   0.132  
 26   26   9  0.867  0.206   0.093  
 27   27   8  0.948  0.143  -0.406  
 28   28   8  0.916  0.156  -0.194  
 29   29  11  0.866  0.211   0.366  
 30   30   8  0.949  0.097  -0.925  
 31   31   9  0.911  0.158  -0.502  
 32   32   9  0.826  0.172  -0.207  
 33   33   8  0.951  0.179       ?  
 34   34   7  0.954  0.127  -0.406  
 35   35   8  0.925  0.164  -0.032  
 36   36   6  0.936  0.164   0.210  
 37   37   9  0.927  0.139  -0.503  
 38   38   8  0.903  0.181   0.214  
 39   39   6  0.979  0.139  -0.179  
 40   40   9  0.858  0.186  -0.034  
 41   41   8  0.946  0.169   0.052  
 42   42   8  0.930  0.161  -0.113  
 43   43   4  0.964  0.100  -0.666  
 44   44   9  0.933  0.187  -0.143  
 45   45   7  0.931  0.167   0.244  
 46   46   7  0.946  0.141  -0.109  
 47   47   9  0.860  0.196   0.272  
 48   48   7  0.957  0.149  -0.049  
 49   49   8  0.925  0.162  -0.065  
 50   50  12  0.963  0.127  -0.453  
 51   51  10  0.874  0.187   0.465  
 52   52  10  0.934  0.124  -0.483  
 53   53   8  0.950  0.165  -0.015  
 54   54   9  0.922  0.148  -0.506  
 55   55   9  0.917  0.230   0.390  
 56   56   8  0.931  0.164  -0.064  
 57   57   9  0.873  0.198  -0.006  
 58   58   9  0.835  0.248   0.737  
 59   59   5  0.905  0.149   0.005  
 60   60   4  0.975  0.111  -0.504  
 61   61   8  0.969  0.173   0.083  
 62   62   7  0.934  0.148  -0.199  
 63   63   9  0.950  0.127  -0.766  
 64   64   7  0.973  0.151  -0.149  
 65   65   9  0.931  0.241   0.527  
 66   66  11  0.947  0.219   0.472  
 67   67   7  0.905  0.237   1.380  
 68   68   9  0.909  0.219   0.376  
 69   69   8  0.714  0.292       ?  
 70   70   9  0.876  0.161  -0.465  
 71   71   4  0.941  0.096  -0.725  
 72   72   8  0.947  0.174   0.206  
 73   73   8  0.894  0.227   0.964  
 74   74   7  0.952  0.141  -0.317  
 75   75   9  0.901  0.130  -0.729  
 76   76   9  0.949  0.137  -0.762  
 77   77  12  0.925  0.170   0.302  
 78   78  12  0.950  0.134  -0.330  
 79   79   4  0.936  0.184   0.569  
 80   80  11  0.954  0.135  -0.642  
 81   81   7  0.930  0.172   0.325  
 82   82   5  0.943  0.110  -0.627  
 83   83   8  0.922  0.260   1.370  
 84   84   7  0.951  0.178   0.303  
 85   85  11  0.967  0.105  -0.891  
 86   86  12  0.961  0.105  -0.840  
 87   87   8  0.958  0.162  -0.065  
 88   88   8  0.900  0.182   0.323  
 89   89   8  0.924  0.172   0.067  
 90   90  12  0.939  0.129  -0.418  
 91   91   8  0.941  0.311   2.334  
 92   92   4  0.888  0.290   2.128  
 93   93   8  0.928  0.148  -0.207  
 94   94   9  0.930  0.147  -0.518  
 95   95   9  0.905  0.143  -0.568  
 96   96   8  0.942  0.174   0.100  
 97   97  11  0.971  0.125  -0.775  
 98   98  12  0.963  0.140  -0.225  
 99   99   8  0.954  0.170   0.069  
100  100   5  0.933  0.151   0.037  
101  101  11  0.919  0.211   0.366  
102  102   6  0.950  0.156   0.085  
103  103  11  0.875  0.231   0.631  
104  104   8  0.959  0.191   0.377  
105  105   9  0.943  0.142  -0.700  
106  106   7  0.950  0.115  -0.601  
107  107   9  0.917  0.203   0.056  
108  108   8  0.942  0.161  -0.082  
109  109   8  0.942  0.166   0.046  
110  110   8  0.949  0.162  -0.065  
111  111  11  0.918  0.140  -0.305  
112  112   9  0.953  0.213   0.180  
113  113  11  0.899  0.246   0.830  
114  114   8  0.872  0.188   0.328  
115  115   4  0.944  0.196   0.746  
116  116  12  0.827  0.211   1.023  
117  117   9  0.872  0.270   1.279  
118  118  11  0.926  0.132  -0.439  
119  119   9  0.949  0.127  -0.766  
120  120   9  0.877  0.186  -0.034  
121  121   8  0.904  0.201   0.602  
122  122   9  0.904  0.173  -0.195  
123  123   8  0.887  0.218   0.817  
124  124   8  0.943  0.223   0.899  
125  125   8  0.917  0.164   0.059  
126  126   8  0.933  0.172   0.102  
127  127   8  0.965  0.165       ?  
128  128   8  0.938  0.154  -0.123  
129  129  11  0.903  0.200   0.220  
130  130   8  0.968  0.148       ?  
131  131   6  0.921  0.169   0.287  
132  132   9  0.963  0.112  -0.871  
133  133   9  0.952  0.176  -0.279  
134  134   9  0.920  0.183  -0.071  
135  135  11  0.948  0.153  -0.087  
136  136   8  0.960  0.153  -0.137  
137  137   5  0.957  0.099  -0.806  
138  138   7  0.945  0.119  -0.536  
139  139   7  0.948  0.106  -0.903  
140  140  11  0.881  0.244   0.804  
141  141   8  0.938  0.155  -0.182  
142  142   6  0.912  0.147  -0.054  
143  143   9  0.926  0.178  -0.254  
144  144  12  0.959  0.132  -0.366  
145  145   8  0.956  0.163  -0.048  
146  146   9  0.906  0.195   0.078  
147  147   9  0.910  0.194   0.066  
148  148   9  0.953  0.176  -0.279  
149  149   9  0.924  0.115  -0.916  
150  150   8  0.857  0.294   1.849  
151  151   5  0.953  0.129  -0.319  
152  152   8  0.878  0.194   0.426  
153  153   9  0.932  0.304   1.307  
154  154   8  0.845  0.281   1.666  
155  155  11  0.864  0.224   1.102  
156  156   6  0.953  0.175   0.380  
157  157   8  0.938  0.161   0.015  
158  158   9  0.890  0.234   0.563  
159  159   8  0.913  0.160  -0.038  
160  160   8  0.958  0.116  -0.834  
161  161   8  0.956  0.124  -0.701  
162  162  10  0.919  0.157   0.014  
163  163   5  0.968  0.097  -0.838  
164  164   8  0.974  0.136  -0.500  
165  165   9  0.923  0.199   0.128  
166  166  14  0.946  0.161   0.236  
167  167   8  0.968  0.152  -0.259  
168  168   6  0.944  0.137  -0.210  
169  169   7  0.941  0.143  -0.146  
170  170   5  0.927  0.139  -0.157  
171  171   9  0.880  0.187  -0.021  
172  172   8  0.955  0.139  -0.471  
173  173   5  0.890  0.165   0.264  
174  174  11  0.928  0.168  -0.204  
175  175   8  0.955  0.201   0.539  
176  176   9  0.881  0.242   0.662  
177  177   9  0.849  0.177  -0.145  
178  178  12  0.883  0.149  -0.067  
179  179   8  0.949  0.163  -0.080  
180  180   9  0.951  0.142  -0.580  
181  181   8  0.947  0.142  -0.423  
182  182   8  0.971  0.159  -0.145  
183  183   9  0.951  0.145  -0.663  
184  184  11  0.892  0.193   0.127  
185  185   8  0.939  0.159  -0.145  
186  186   4  0.929  0.162   0.246  
187  187   6  0.946  0.132  -0.287  
188  188   8  0.868  0.219   0.888  
189  189   8  0.868  0.206   0.622  
190  190   9  0.771  0.314   1.431  
191  191   1  0.989  0.247       ?  
192  192   1  0.929  0.141       ?  
193  193   1  0.955  0.227       ?  
194  194   1  0.962  0.315       ?  
195  195   1  0.864  0.339       ?  
196  196   1  0.866  0.503       ?  
197  197   1  0.904  0.263       ?  
198  198   1  0.547  0.184       ?  
199  199   1  0.851  0.161       ?  
200  200   1  0.903  0.205       ?  
201  201   1  0.952  0.214       ?  
202  202   1  0.913  0.218       ?  
203  203   1  0.874  0.391       ?  
204  204   1  0.865  0.401       ?  
205  205   1  0.876  0.404       ?  
206  206   1  0.833  0.256       ?  
207  207   1  0.828  0.182       ?  
208  208   1  0.968  0.087       ?  
209  209   1  0.876  0.397       ?  
210  210   1  0.936  0.154       ?  
211  211   1  0.822  0.252       ?  
212  212   1  0.595  0.333       ?  
213  213   1  0.830  0.156       ?  
214  214   1  0.851  0.297       ?  
215  215   1  0.759  0.202       ?  
#
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  
##
