data_6IXQ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6IXQ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6IXQ
_pdbx_vrpt_summary.PDB_deposition_date         2018-12-11
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-22
_pdbx_vrpt_summary.report_creation_date        2023-11-15:02:10
_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  Myosin-2  
2  polymer  "Kinesin-related protein SMY1"  
#
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  3.06  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   74.38  141614     ?     ?  
 2  2  1   90.77    1864  3.02  3.10  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1794  3.02  3.10  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    1793  3.02  3.10  
 7  1  4   31.09  127900     ?     ?  
 8  2  4   13.78    1713  3.02  3.10  
 9  1  5   57.97  130704     ?     ?  
10  2  5   91.81    1754  3.02  3.10  
#
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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A   32.05  
 6  8  4  A  1  1  A   14.65  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B   17.39  
12  8  4  B  1  2  B    6.60  
#
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  0.40  0.25  3206  4357  
2  1  2  B  B  0.40  0.35   113   150  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     3.22
_pdbx_vrpt_summary_geometry.num_H_reduce                   3263
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 3319
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.25
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                4507
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.40
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            149.034
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         126.283
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.76(3.07A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        20222
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.332
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.493
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.326
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.961
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.028
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.06
_pdbx_vrpt_summary_diffraction.EDS_res_low               75.28
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[163.973,163.973,83.540,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.586
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.33% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.68
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      985
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.87
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     4.68
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.06
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        39.72
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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   14  ASN  A  1152  .  ?        ?  
  2  1  1  A   15  ALA  A  1153  .  ?        ?  
  3  1  1  A   16  THR  A  1154  .  ?        ?  
  4  1  1  A   17  GLN  A  1155  .  ?        ?  
  5  1  1  A   18  ILE  A  1156  .  ?        ?  
  6  1  1  A   19  ASN  A  1157  .  ?        ?  
  7  1  1  A   20  GLU  A  1158  .  ?        ?  
  8  1  1  A   21  GLU  A  1159  .  ?        ?  
  9  1  1  A   22  LEU  A  1160  .  ?        ?  
 10  1  1  A   23  TYR  A  1161  .  ?        ?  
 11  1  1  A   24  ARG  A  1162  .  ?        ?  
 12  1  1  A   25  LEU  A  1163  .  ?        ?  
 13  1  1  A   26  LEU  A  1164  .  ?        ?  
 14  1  1  A   27  GLU  A  1165  .  ?        1  
 15  1  1  A   28  ASP  A  1166  .  ?        ?  
 16  1  1  A   29  THR  A  1167  .  ?        ?  
 17  1  1  A   30  GLU  A  1168  .  ?        ?  
 18  1  1  A   31  ILE  A  1169  .  ?        ?  
 19  1  1  A   32  LEU  A  1170  .  ?        ?  
 20  1  1  A   33  ASN  A  1171  .  ?        1  
 21  1  1  A   34  GLN  A  1172  .  ?        ?  
 22  1  1  A   35  GLU  A  1173  .  ?        ?  
 23  1  1  A   36  ILE  A  1174  .  ?        ?  
 24  1  1  A   37  THR  A  1175  .  ?        1  
 25  1  1  A   38  GLU  A  1176  .  ?        ?  
 26  1  1  A   39  GLY  A  1177  .  ?        1  
 27  1  1  A   40  LEU  A  1178  .  ?        ?  
 28  1  1  A   41  LEU  A  1179  .  ?        ?  
 29  1  1  A   42  LYS  A  1180  .  ?        ?  
 30  1  1  A   43  GLY  A  1181  .  ?        ?  
 31  1  1  A   44  PHE  A  1182  .  ?        ?  
 32  1  1  A   45  GLU  A  1183  .  ?        ?  
 33  1  1  A   46  VAL  A  1184  .  ?        ?  
 34  1  1  A   47  PRO  A  1185  .  ?        ?  
 35  1  1  A   48  ASP  A  1186  .  ?        ?  
 36  1  1  A   49  ALA  A  1187  .  ?        ?  
 37  1  1  A   51  VAL  A  1189  .  ?        ?  
 38  1  1  A   52  ALA  A  1190  .  ?        ?  
 39  1  1  A   53  ILE  A  1191  .  ?        ?  
 40  1  1  A   54  GLN  A  1192  .  ?        ?  
 41  1  1  A   55  LEU  A  1193  .  ?        ?  
 42  1  1  A   56  SER  A  1194  .  ?        ?  
 43  1  1  A   57  LYS  A  1195  .  ?        ?  
 44  1  1  A   58  ARG  A  1196  .  ?        ?  
 45  1  1  A   59  ASP  A  1197  .  ?        ?  
 46  1  1  A   60  VAL  A  1198  .  ?        ?  
 47  1  1  A   61  VAL  A  1199  .  ?        ?  
 48  1  1  A   62  TYR  A  1200  .  ?        2  
 49  1  1  A   63  PRO  A  1201  .  ?        3  
 50  1  1  A   64  ALA  A  1202  .  ?        ?  
 51  1  1  A   65  ARG  A  1203  .  ?        ?  
 52  1  1  A   66  ILE  A  1204  .  ?        ?  
 53  1  1  A   67  LEU  A  1205  .  ?        ?  
 54  1  1  A   68  ILE  A  1206  .  ?        ?  
 55  1  1  A   69  ILE  A  1207  .  ?        ?  
 56  1  1  A   70  VAL  A  1208  .  ?        ?  
 57  1  1  A   71  LEU  A  1209  .  ?        ?  
 58  1  1  A   72  SER  A  1210  .  ?        ?  
 59  1  1  A   73  GLU  A  1211  .  ?        ?  
 60  1  1  A   74  MET  A  1212  .  ?        ?  
 61  1  1  A   75  TRP  A  1213  .  ?        ?  
 62  1  1  A   76  ARG  A  1214  .  ?        ?  
 63  1  1  A   77  PHE  A  1215  .  ?        ?  
 64  1  1  A   78  GLY  A  1216  .  ?        ?  
 65  1  1  A   79  LEU  A  1217  .  ?        ?  
 66  1  1  A   80  THR  A  1218  .  ?        1  
 67  1  1  A   81  LYS  A  1219  .  ?        ?  
 68  1  1  A   82  GLN  A  1220  .  ?        1  
 69  1  1  A   83  SER  A  1221  .  ?        ?  
 70  1  1  A   84  GLU  A  1222  .  ?        ?  
 71  1  1  A   85  SER  A  1223  .  ?        ?  
 72  1  1  A   86  PHE  A  1224  .  ?        ?  
 73  1  1  A   87  LEU  A  1225  .  ?        ?  
 74  1  1  A   88  ALA  A  1226  .  ?        ?  
 75  1  1  A   89  GLN  A  1227  .  ?        2  
 76  1  1  A   90  VAL  A  1228  .  ?        ?  
 77  1  1  A   91  LEU  A  1229  .  ?        1  
 78  1  1  A   92  THR  A  1230  .  ?        ?  
 79  1  1  A   93  THR  A  1231  .  ?        ?  
 80  1  1  A   94  ILE  A  1232  .  ?        ?  
 81  1  1  A   95  GLN  A  1233  .  ?        ?  
 82  1  1  A   96  LYS  A  1234  .  ?        ?  
 83  1  1  A   97  VAL  A  1235  .  ?        ?  
 84  1  1  A   98  VAL  A  1236  .  ?        ?  
 85  1  1  A   99  THR  A  1237  .  ?        ?  
 86  1  1  A  100  GLN  A  1238  .  ?        ?  
 87  1  1  A  101  LEU  A  1239  .  ?        ?  
 88  1  1  A  102  LYS  A  1240  .  ?        ?  
 89  1  1  A  103  GLY  A  1241  .  ?        ?  
 90  1  1  A  104  ASN  A  1242  .  ?        ?  
 91  1  1  A  105  ASP  A  1243  .  ?        ?  
 92  1  1  A  106  LEU  A  1244  .  ?        ?  
 93  1  1  A  107  ILE  A  1245  .  ?        ?  
 94  1  1  A  108  PRO  A  1246  .  ?        ?  
 95  1  1  A  109  SER  A  1247  .  ?        1  
 96  1  1  A  110  GLY  A  1248  .  ?        ?  
 97  1  1  A  111  VAL  A  1249  .  ?        ?  
 98  1  1  A  112  PHE  A  1250  .  ?        1  
 99  1  1  A  113  TRP  A  1251  .  ?        ?  
100  1  1  A  114  LEU  A  1252  .  ?        ?  
101  1  1  A  115  ALA  A  1253  .  ?        ?  
102  1  1  A  116  ASN  A  1254  .  ?        1  
103  1  1  A  117  VAL  A  1255  .  ?        1  
104  1  1  A  118  ARG  A  1256  .  ?        ?  
105  1  1  A  119  GLU  A  1257  .  ?        ?  
106  1  1  A  120  LEU  A  1258  .  ?        ?  
107  1  1  A  121  TYR  A  1259  .  ?        ?  
108  1  1  A  122  SER  A  1260  .  ?        ?  
109  1  1  A  123  PHE  A  1261  .  ?        ?  
110  1  1  A  124  VAL  A  1262  .  ?        ?  
111  1  1  A  125  VAL  A  1263  .  ?        ?  
112  1  1  A  126  PHE  A  1264  .  ?        ?  
113  1  1  A  127  ALA  A  1265  .  ?        ?  
114  1  1  A  128  LEU  A  1266  .  ?        ?  
115  1  1  A  129  ASN  A  1267  .  ?        ?  
116  1  1  A  130  SER  A  1268  .  ?        ?  
117  1  1  A  131  ILE  A  1269  .  ?        ?  
118  1  1  A  132  LEU  A  1270  .  ?        ?  
119  1  1  A  133  THR  A  1271  .  ?        ?  
120  1  1  A  134  GLU  A  1272  .  ?        ?  
121  1  1  A  135  GLU  A  1273  .  ?        ?  
122  1  1  A  136  THR  A  1274  .  ?        ?  
123  1  1  A  137  PHE  A  1275  .  ?        ?  
124  1  1  A  138  LYS  A  1276  .  ?        ?  
125  1  1  A  139  ASN  A  1277  .  ?        ?  
126  1  1  A  140  GLY  A  1278  .  ?        ?  
127  1  1  A  141  MET  A  1279  .  ?        ?  
128  1  1  A  142  THR  A  1280  .  ?        ?  
129  1  1  A  143  ASP  A  1281  .  ?        ?  
130  1  1  A  144  GLU  A  1282  .  ?        ?  
131  1  1  A  145  GLU  A  1283  .  ?        ?  
132  1  1  A  146  TYR  A  1284  .  ?        ?  
133  1  1  A  147  LYS  A  1285  .  ?        ?  
134  1  1  A  148  GLU  A  1286  .  ?        ?  
135  1  1  A  149  TYR  A  1287  .  ?        ?  
136  1  1  A  150  VAL  A  1288  .  ?        ?  
137  1  1  A  151  SER  A  1289  .  ?        ?  
138  1  1  A  152  LEU  A  1290  .  ?        1  
139  1  1  A  153  VAL  A  1291  .  ?        ?  
140  1  1  A  154  THR  A  1292  .  ?        ?  
141  1  1  A  155  GLU  A  1293  .  ?        ?  
142  1  1  A  156  LEU  A  1294  .  ?        ?  
143  1  1  A  157  LYS  A  1295  .  ?        ?  
144  1  1  A  158  ASP  A  1296  .  ?        ?  
145  1  1  A  159  ASP  A  1297  .  ?        ?  
146  1  1  A  160  PHE  A  1298  .  ?        ?  
147  1  1  A  161  GLU  A  1299  .  ?        ?  
148  1  1  A  162  ALA  A  1300  .  ?        ?  
149  1  1  A  163  LEU  A  1301  .  ?        1  
150  1  1  A  164  SER  A  1302  .  ?        ?  
151  1  1  A  165  TYR  A  1303  .  ?        ?  
152  1  1  A  166  ASN  A  1304  .  ?        ?  
153  1  1  A  167  ILE  A  1305  .  ?        1  
154  1  1  A  168  TYR  A  1306  .  ?        ?  
155  1  1  A  169  ASN  A  1307  .  ?        ?  
156  1  1  A  170  ILE  A  1308  .  ?        ?  
157  1  1  A  171  TRP  A  1309  .  ?        1  
158  1  1  A  172  LEU  A  1310  .  ?        ?  
159  1  1  A  173  LYS  A  1311  .  ?        ?  
160  1  1  A  174  LYS  A  1312  .  ?        ?  
161  1  1  A  175  LEU  A  1313  .  ?        1  
162  1  1  A  176  GLN  A  1314  .  ?        ?  
163  1  1  A  177  LYS  A  1315  .  ?        ?  
164  1  1  A  178  GLN  A  1316  .  ?        ?  
165  1  1  A  179  LEU  A  1317  .  ?        1  
166  1  1  A  180  GLN  A  1318  .  ?        ?  
167  1  1  A  181  LYS  A  1319  .  ?        ?  
168  1  1  A  182  LYS  A  1320  .  ?        ?  
169  1  1  A  183  ALA  A  1321  .  ?        ?  
170  1  1  A  184  ILE  A  1322  .  ?        ?  
171  1  1  A  185  ASN  A  1323  .  ?        ?  
172  1  1  A  186  ALA  A  1324  .  ?        1  
173  1  1  A  187  VAL  A  1325  .  ?        ?  
174  1  1  A  188  VAL  A  1326  .  ?        ?  
175  1  1  A  189  ILE  A  1327  .  ?        ?  
176  1  1  A  190  SER  A  1328  .  ?        1  
177  1  1  A  191  GLU  A  1329  .  ?        ?  
178  1  1  A  192  SER  A  1330  .  ?        ?  
179  1  1  A  193  LEU  A  1331  .  ?        ?  
180  1  1  A  194  PRO  A  1332  .  ?        ?  
181  1  1  A  195  GLY  A  1333  .  ?        ?  
182  1  1  A  196  PHE  A  1334  .  ?        ?  
183  1  1  A  197  SER  A  1335  .  ?        ?  
184  1  1  A  208  GLU  A  1352  .  ?        ?  
185  1  1  A  209  TYR  A  1353  .  ?        ?  
186  1  1  A  210  THR  A  1354  .  ?        ?  
187  1  1  A  211  MET  A  1355  .  ?        ?  
188  1  1  A  212  ASP  A  1356  .  ?        ?  
189  1  1  A  213  ASP  A  1357  .  ?        ?  
190  1  1  A  214  ILE  A  1358  .  ?        ?  
191  1  1  A  215  LEU  A  1359  .  ?        ?  
192  1  1  A  216  THR  A  1360  .  ?        ?  
193  1  1  A  217  PHE  A  1361  .  ?        ?  
194  1  1  A  218  PHE  A  1362  .  ?        ?  
195  1  1  A  219  ASN  A  1363  .  ?        ?  
196  1  1  A  220  SER  A  1364  .  ?        ?  
197  1  1  A  221  ILE  A  1365  .  ?        ?  
198  1  1  A  222  TYR  A  1366  .  ?        ?  
199  1  1  A  223  TRP  A  1367  .  ?        ?  
200  1  1  A  224  CYS  A  1368  .  ?        ?  
201  1  1  A  225  MET  A  1369  .  ?        ?  
202  1  1  A  226  LYS  A  1370  .  ?        ?  
203  1  1  A  227  SER  A  1371  .  ?        ?  
204  1  1  A  228  PHE  A  1372  .  ?        ?  
205  1  1  A  229  HIS  A  1373  .  ?        ?  
206  1  1  A  230  ILE  A  1374  .  ?        ?  
207  1  1  A  231  GLU  A  1375  .  ?        ?  
208  1  1  A  232  ASN  A  1376  .  ?        ?  
209  1  1  A  233  GLU  A  1377  .  ?        1  
210  1  1  A  234  VAL  A  1378  .  ?        ?  
211  1  1  A  235  PHE  A  1379  .  ?        ?  
212  1  1  A  236  HIS  A  1380  .  ?        ?  
213  1  1  A  237  ALA  A  1381  .  ?        ?  
214  1  1  A  238  VAL  A  1382  .  ?        ?  
215  1  1  A  239  VAL  A  1383  .  ?        ?  
216  1  1  A  240  THR  A  1384  .  ?        ?  
217  1  1  A  241  THR  A  1385  .  ?        ?  
218  1  1  A  242  LEU  A  1386  .  ?        1  
219  1  1  A  243  LEU  A  1387  .  ?        ?  
220  1  1  A  244  ASN  A  1388  .  ?        ?  
221  1  1  A  245  TYR  A  1389  .  ?        ?  
222  1  1  A  246  VAL  A  1390  .  ?        ?  
223  1  1  A  247  ASP  A  1391  .  ?        ?  
224  1  1  A  248  ALA  A  1392  .  ?        ?  
225  1  1  A  249  ILE  A  1393  .  ?        ?  
226  1  1  A  250  CYS  A  1394  .  ?        ?  
227  1  1  A  251  PHE  A  1395  .  ?        ?  
228  1  1  A  252  ASN  A  1396  .  ?        ?  
229  1  1  A  253  GLU  A  1397  .  ?        ?  
230  1  1  A  254  LEU  A  1398  .  ?        ?  
231  1  1  A  255  ILE  A  1399  .  ?        ?  
232  1  1  A  256  MET  A  1400  .  ?        ?  
233  1  1  A  257  LYS  A  1401  .  ?        1  
234  1  1  A  258  ARG  A  1402  .  ?        ?  
235  1  1  A  259  ASN  A  1403  .  ?        ?  
236  1  1  A  260  PHE  A  1404  .  ?        ?  
237  1  1  A  261  LEU  A  1405  .  ?        ?  
238  1  1  A  262  SER  A  1406  .  ?        ?  
239  1  1  A  263  TRP  A  1407  .  ?        ?  
240  1  1  A  264  LYS  A  1408  .  ?        ?  
241  1  1  A  265  ARG  A  1409  .  ?        ?  
242  1  1  A  266  GLY  A  1410  .  ?        ?  
243  1  1  A  267  LEU  A  1411  .  ?        ?  
244  1  1  A  268  GLN  A  1412  .  ?        ?  
245  1  1  A  269  LEU  A  1413  .  ?        ?  
246  1  1  A  270  ASN  A  1414  .  ?        ?  
247  1  1  A  271  TYR  A  1415  .  ?        ?  
248  1  1  A  272  ASN  A  1416  .  ?        ?  
249  1  1  A  273  VAL  A  1417  .  ?        1  
250  1  1  A  274  THR  A  1418  .  ?        ?  
251  1  1  A  275  ARG  A  1419  .  ?        ?  
252  1  1  A  276  LEU  A  1420  .  ?        ?  
253  1  1  A  277  GLU  A  1421  .  ?        ?  
254  1  1  A  278  GLU  A  1422  .  ?        ?  
255  1  1  A  279  TRP  A  1423  .  ?        ?  
256  1  1  A  280  CYS  A  1424  .  ?        ?  
257  1  1  A  281  LYS  A  1425  .  ?        ?  
258  1  1  A  282  THR  A  1426  .  ?        ?  
259  1  1  A  283  HIS  A  1427  .  ?        ?  
260  1  1  A  284  GLY  A  1428  .  ?        ?  
261  1  1  A  285  LEU  A  1429  .  ?        ?  
262  1  1  A  286  THR  A  1430  .  ?        ?  
263  1  1  A  287  ASP  A  1431  .  ?        ?  
264  1  1  A  288  GLY  A  1432  .  ?        ?  
265  1  1  A  289  THR  A  1433  .  ?        ?  
266  1  1  A  290  GLU  A  1434  .  ?        1  
267  1  1  A  291  CYS  A  1435  .  ?        ?  
268  1  1  A  292  LEU  A  1436  .  ?        ?  
269  1  1  A  293  GLN  A  1437  .  ?        1  
270  1  1  A  294  HIS  A  1438  .  ?        ?  
271  1  1  A  295  LEU  A  1439  .  ?        ?  
272  1  1  A  296  ILE  A  1440  .  ?        1  
273  1  1  A  297  GLN  A  1441  .  ?        ?  
274  1  1  A  298  THR  A  1442  .  ?        ?  
275  1  1  A  299  ALA  A  1443  .  ?        ?  
276  1  1  A  300  LYS  A  1444  .  ?        ?  
277  1  1  A  301  LEU  A  1445  .  ?        ?  
278  1  1  A  302  LEU  A  1446  .  ?        ?  
279  1  1  A  303  GLN  A  1447  .  ?        ?  
280  1  1  A  304  VAL  A  1448  .  ?        ?  
281  1  1  A  305  ARG  A  1449  .  ?        ?  
282  1  1  A  306  LYS  A  1450  .  ?        ?  
283  1  1  A  307  TYR  A  1451  .  ?        ?  
284  1  1  A  308  THR  A  1452  .  ?        ?  
285  1  1  A  309  ILE  A  1453  .  ?        ?  
286  1  1  A  310  GLU  A  1454  .  ?        ?  
287  1  1  A  311  ASP  A  1455  .  ?        ?  
288  1  1  A  312  ILE  A  1456  .  ?        ?  
289  1  1  A  313  ASP  A  1457  .  ?        ?  
290  1  1  A  314  ILE  A  1458  .  ?        ?  
291  1  1  A  315  LEU  A  1459  .  ?        ?  
292  1  1  A  316  ARG  A  1460  .  ?        ?  
293  1  1  A  317  GLY  A  1461  .  ?        ?  
294  1  1  A  318  ILE  A  1462  .  ?        ?  
295  1  1  A  319  CYS  A  1463  .  ?        ?  
296  1  1  A  320  TYR  A  1464  .  ?        ?  
297  1  1  A  321  SER  A  1465  .  ?        ?  
298  1  1  A  322  LEU  A  1466  .  ?        ?  
299  1  1  A  323  THR  A  1467  .  ?        ?  
300  1  1  A  324  PRO  A  1468  .  ?        ?  
301  1  1  A  325  ALA  A  1469  .  ?        ?  
302  1  1  A  326  GLN  A  1470  .  ?        ?  
303  1  1  A  327  LEU  A  1471  .  ?        ?  
304  1  1  A  328  GLN  A  1472  .  ?        ?  
305  1  1  A  329  LYS  A  1473  .  ?        ?  
306  1  1  A  330  LEU  A  1474  .  ?        ?  
307  1  1  A  331  ILE  A  1475  .  ?        ?  
308  1  1  A  332  SER  A  1476  .  ?        ?  
309  1  1  A  333  GLN  A  1477  .  ?        1  
310  1  1  A  334  TYR  A  1478  .  ?        ?  
311  1  1  A  335  GLN  A  1479  .  ?        ?  
312  1  1  A  336  VAL  A  1480  .  ?        ?  
313  1  1  A  337  ALA  A  1481  .  ?        ?  
314  1  1  A  338  ASP  A  1482  .  ?        ?  
315  1  1  A  339  TYR  A  1483  .  ?        ?  
316  1  1  A  340  GLU  A  1484  .  ?        ?  
317  1  1  A  341  SER  A  1485  .  ?        ?  
318  1  1  A  342  PRO  A  1486  .  ?        ?  
319  1  1  A  343  ILE  A  1487  .  ?        ?  
320  1  1  A  344  PRO  A  1488  .  ?        1  
321  1  1  A  345  GLN  A  1489  .  ?        ?  
322  1  1  A  346  GLU  A  1490  .  ?        1  
323  1  1  A  347  ILE  A  1491  .  ?        1  
324  1  1  A  348  LEU  A  1492  .  ?        ?  
325  1  1  A  349  ARG  A  1493  .  ?        1  
326  1  1  A  350  TYR  A  1494  .  ?        ?  
327  1  1  A  351  VAL  A  1495  .  ?        ?  
328  1  1  A  352  ALA  A  1496  .  ?        ?  
329  1  1  A  353  ASP  A  1497  .  ?        ?  
330  1  1  A  354  ILE  A  1498  .  ?        ?  
331  1  1  A  355  VAL  A  1499  .  ?        ?  
332  1  1  A  356  LYS  A  1500  .  ?        ?  
333  1  1  A  357  LYS  A  1501  .  ?        ?  
334  1  1  A  358  GLU  A  1502  .  ?        ?  
335  1  1  A  359  ALA  A  1503  .  ?        ?  
336  1  1  A  360  ALA  A  1504  .  ?        ?  
337  1  1  A  361  LEU  A  1505  .  ?        ?  
338  1  1  A  375  SER  A  1519  .  ?        ?  
339  1  1  A  376  SER  A  1520  .  ?        ?  
340  1  1  A  377  ILE  A  1521  .  ?        ?  
341  1  1  A  378  PHE  A  1522  .  ?        ?  
342  1  1  A  379  ILE  A  1523  .  ?        ?  
343  1  1  A  380  THR  A  1524  .  ?        ?  
344  1  1  A  381  PRO  A  1525  .  ?        ?  
345  1  1  A  382  GLU  A  1526  .  ?        ?  
346  1  1  A  383  THR  A  1527  .  ?        ?  
347  1  1  A  384  GLY  A  1528  .  ?        ?  
348  1  1  A  385  PRO  A  1529  .  ?        ?  
349  1  1  A  386  PHE  A  1530  .  ?        ?  
350  1  1  A  387  THR  A  1531  .  ?        ?  
351  1  1  A  388  ASP  A  1532  .  ?        ?  
352  1  1  A  389  PRO  A  1533  .  ?        ?  
353  1  1  A  390  PHE  A  1534  .  ?        ?  
354  1  1  A  391  SER  A  1535  .  ?        ?  
355  1  1  A  392  LEU  A  1536  .  ?        ?  
356  1  1  A  393  ILE  A  1537  .  ?        1  
357  1  1  A  394  LYS  A  1538  .  ?        ?  
358  1  1  A  395  THR  A  1539  .  ?        ?  
359  1  1  A  396  ARG  A  1540  .  ?        ?  
360  1  1  A  397  LYS  A  1541  .  ?        ?  
361  1  1  A  398  PHE  A  1542  .  ?        ?  
362  1  1  A  399  ASP  A  1543  .  ?        ?  
363  1  1  A  400  GLN  A  1544  .  ?        ?  
364  1  1  A  401  VAL  A  1545  .  ?        ?  
365  1  1  A  402  GLU  A  1546  .  ?        ?  
366  1  1  A  403  ALA  A  1547  .  ?        ?  
367  1  1  A  404  TYR  A  1548  .  ?        ?  
368  1  1  A  405  ILE  A  1549  .  ?        ?  
369  1  1  A  406  PRO  A  1550  .  ?        ?  
370  1  1  A  407  ALA  A  1551  .  ?        ?  
371  1  1  A  408  TRP  A  1552  .  ?        ?  
372  1  1  A  409  LEU  A  1553  .  ?        ?  
373  1  1  A  410  SER  A  1554  .  ?        ?  
374  1  1  A  411  LEU  A  1555  .  ?        1  
375  1  1  A  412  PRO  A  1556  .  ?        ?  
376  1  1  A  413  SER  A  1557  .  ?        ?  
377  1  1  A  414  THR  A  1558  .  ?        ?  
378  1  1  A  415  LYS  A  1559  .  ?        ?  
379  1  1  A  416  ARG  A  1560  .  ?        ?  
380  1  1  A  417  ILE  A  1561  .  ?        ?  
381  1  1  A  418  VAL  A  1562  .  ?        ?  
382  1  1  A  419  ASP  A  1563  .  ?        ?  
383  1  1  A  420  LEU  A  1564  .  ?        ?  
384  1  1  A  421  VAL  A  1565  .  ?        1  
385  1  1  A  422  ALA  A  1566  .  ?        ?  
386  1  1  A  423  GLN  A  1567  .  ?        ?  
387  1  1  A  424  GLN  A  1568  .  ?        ?  
388  1  1  A  425  VAL  A  1569  .  ?        ?  
389  1  1  A  426  VAL  A  1570  .  ?        ?  
390  1  1  A  427  GLN  A  1571  .  ?        ?  
391  1  1  A  428  ASP  A  1572  .  ?        ?  
392  1  2  B   23  PHE  B   633  .  ?        ?  
393  1  2  B   24  LYS  B   634  .  ?        ?  
394  1  2  B   25  LYS  B   635  .  ?        ?  
395  1  2  B   26  GLY  B   636  .  ?        ?  
396  1  2  B   27  LEU  B   637  .  ?        ?  
397  1  2  B   28  ASN  B   638  .  ?        ?  
398  1  2  B   29  LEU  B   639  .  ?        ?  
399  1  2  B   30  HIS  B   640  .  ?        ?  
400  1  2  B   31  SER  B   641  .  ?        ?  
401  1  2  B   32  ILE  B   642  .  ?        1  
402  1  2  B   33  LYS  B   643  .  ?        ?  
403  1  2  B   34  VAL  B   644  .  ?        ?  
404  1  2  B   35  THR  B   645  .  ?        ?  
405  1  2  B   36  SER  B   646  .  ?        ?  
406  1  2  B   37  SER  B   647  .  ?        ?  
#
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.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  m-80          ?       ?  ?        ?      5  217.050   8  0.19  11  0.31  molprobity  1.000  
  2    2  ?         -76.1   -19.7  Favored  ?      5  213.070   5  0.15   7  0.42  molprobity  1.000  
  3    3  m         -72.3   -22.0  Favored  ?      7  259.140   7  0.30  10  0.51  molprobity  1.000  
  4    4  mt-30    -120.7    18.1  Favored  ?      8  179.700   9  0.24  12  0.41  molprobity  1.000  
  5    5  mt        -70.0   -73.0  Allowed  ?     11  181.730   8  0.20  11  0.58  molprobity  1.000  
  6    6  m-80      -50.4   -32.1  Favored  ?      6  181.600   8  0.18  11  0.33  molprobity  1.000  
  7    7  tt0       -60.4   -63.7  Allowed  ?      6  163.880   9  0.32  12  0.26  molprobity  1.000  
  8    8  tt0       -54.0   -51.3  Favored  ?      6  171.490   9  0.27  12  0.39  molprobity  1.000  
  9    9  tp        -47.4   -47.7  Favored  ?     11  143.890   8  0.21  11  0.39  molprobity  1.000  
 10   10  t80       -56.3   -51.3  Favored  ?      9  147.560  13  0.35  18  0.46  molprobity  1.000  
 11   11  mtp180    -63.6   -16.6  Favored  ?     13  151.860  11  0.14  14  0.32  molprobity  1.000  
 12   12  mt        -83.8   -39.4  Favored  ?     11  160.350   8  0.17  11  0.48  molprobity  1.000  
 13   13  mt        -81.0   -14.7  Favored  ?     11  160.680   8  0.21  11  0.29  molprobity  1.000  
 14   14  tt0       -79.2   -20.1  Favored  ?      6  204.500   9  0.22  12  0.32  molprobity  1.000  
 15   15  t0        -95.8    94.2  Favored  ?      4  194.200   8  0.19  11  0.24  molprobity  1.000  
 16   16  p         -94.1    18.5  Favored  ?      7  196.360   7  0.24  10  0.64  molprobity  1.000  
 17   17  mt-10    -103.6   -27.2  Favored  ?      6  190.780   9  0.24  12  0.36  molprobity  1.000  
 18   18  mt        -89.8   -49.5  Favored  ?     11  166.240   8  0.16  11  0.46  molprobity  1.000  
 19   19  tp        -61.1   -40.7  Favored  ?     11  157.790   8  0.18  11  0.27  molprobity  1.000  
 20   20  m-20      -66.5   -35.7  Favored  ?      6  174.660   8  0.23  11  0.27  molprobity  1.000  
 21   21  tm0?      -64.8   -52.0  Favored  ?      8  180.990   9  0.27  12  0.31  molprobity  1.000  
 22   22  mt-10     -62.6   -42.6  Favored  ?      6  170.420   9  0.19  12  0.28  molprobity  1.000  
 23   23  mm        -68.8   -49.5  Favored  ?     11  157.490   8  0.14  11  0.54  molprobity  1.000  
 24   24  p         -81.0   -34.4  Favored  ?      7  154.700   7  0.26  10  0.70  molprobity  1.000  
 25   25  mm-40     -94.6   -38.3  Favored  ?      6  188.720   9  0.24  12  0.24  molprobity  1.000  
 26   26  ?         -88.2   -52.9  Favored  ?      3  175.460   4  0.24   5  0.29  molprobity  1.000  
 27   27  tp        -75.4   -52.7  Favored  ?     11  153.540   8  0.20  11  0.34  molprobity  1.000  
 28   28  mt        -78.8   -61.0  Favored  ?     11  148.000   8  0.24  11  0.34  molprobity  1.000  
 29   29  mttt      -68.6   -30.1  Favored  ?     13  152.890   9  0.36  11  0.31  molprobity  1.000  
 30   30  ?        -100.3    53.1  Allowed  ?      3  171.580   4  0.21   5  0.50  molprobity  1.000  
 31   31  p90       -91.5   149.3  Favored  ?      9  166.870  12  0.33  16  0.24  molprobity  1.000  
 32   32  mm-40    -124.4   121.5  Favored  ?      6  183.620   9  0.21  12  0.30  molprobity  1.000  
 33   33  t         -84.6   130.2  Favored  ?      9  161.530   7  0.17  11  0.65  molprobity  1.000  
 34   34  Cg_endo   -67.7   167.8  Favored  ?      7  195.680   8  0.20  11  0.28  molprobity  1.000  
 35   35  t0        -81.6   124.5  Favored  ?      4  269.540   8  0.19  11  0.29  molprobity  1.000  
 36   36  ?             ?       ?  ?        ?      5  212.710   4  0.20   4  0.34  molprobity  1.000  
 37   37  t             ?       ?  ?        ?      8  316.420   7  0.15  10  0.38  molprobity  1.000  
 38   38  ?         -90.0    87.2  Favored  ?      5  256.220   5  0.14   7  0.29  molprobity  1.000  
 39   39  mm       -122.0   121.8  Favored  ?     11  258.940   8  0.16  11  0.44  molprobity  1.000  
 40   40  ?         -85.4   131.8  Favored  ?      4  254.410   6  0.18   8  0.45  molprobity  1.000  
 41   41  mt       -129.2   128.4  Favored  ?     11  207.620   8  0.16  11  0.53  molprobity  1.000  
 42   42  p         -67.7   153.1  Favored  ?      5  217.440   6  0.22   8  0.33  molprobity  1.000  
 43   43  mttt      -65.3   -20.2  Favored  ?     13  202.190   9  0.24  11  0.24  molprobity  1.000  
 44   44  ptm180    -79.6   -16.5  Favored  ?     13  201.750  11  0.16  14  0.33  molprobity  1.000  
 45   45  m-20      -86.4    -7.0  Favored  ?      4  207.130   8  0.15  11  0.25  molprobity  1.000  
 46   46  t        -105.5   -54.5  Favored  ?      9  167.830   7  0.21  10  0.64  molprobity  1.000  
 47   47  m         -99.8    40.7  Allowed  ?      9  145.270   7  0.13  10  0.57  molprobity  1.000  
 48   48  p90       -62.3   -38.3  Favored  ?      9  158.070  13  0.48  19  0.95  molprobity  1.000  
 49   49  Cg_exo    -68.1   -35.6  Favored  ?      7  150.790   8  0.17  11  0.38  molprobity  1.000  
 50   50  ?         -58.7   -45.3  Favored  ?      5  138.720   5  0.17   7  0.29  molprobity  1.000  
 51   51  mmt85     -60.8   -48.4  Favored  ?     13  168.360  11  0.17  14  0.29  molprobity  1.000  
 52   52  mt        -58.5   -50.3  Favored  ?     11  144.370   8  0.30  11  0.48  molprobity  1.000  
 53   53  mt        -55.3   -42.9  Favored  ?     11  137.570   8  0.19  11  0.24  molprobity  1.000  
 54   54  mt        -62.8   -40.5  Favored  ?     11  147.230   8  0.20  11  0.39  molprobity  1.000  
 55   55  mt        -61.9   -55.1  Favored  ?     11  150.570   8  0.20  11  0.50  molprobity  1.000  
 56   56  t         -56.9   -44.6  Favored  ?      9  144.600   7  0.24  10  0.42  molprobity  1.000  
 57   57  tp        -65.0   -43.7  Favored  ?     11  144.250   8  0.21  11  0.35  molprobity  1.000  
 58   58  m         -60.0   -47.9  Favored  ?      5  141.660   6  0.29   8  0.29  molprobity  1.000  
 59   59  mm-40     -68.6   -27.3  Favored  ?      6  152.710   9  0.26  12  0.27  molprobity  1.000  
 60   60  mtt       -69.8   -41.0  Favored  ?      9  142.980   8  0.23  10  0.42  molprobity  1.000  
 61   61  m0        -69.8   -29.9  Favored  ?     10  140.860  16  0.20  23  0.17  molprobity  1.000  
 62   62  ttt180    -63.5   -40.2  Favored  ?     13  157.340  11  0.19  14  0.36  molprobity  1.000  
 63   63  m-85      -90.6     2.6  Favored  ?      9  158.250  12  0.33  16  0.25  molprobity  1.000  
 64   64  ?          72.9    13.7  Favored  ?      3  142.680   4  0.26   5  0.25  molprobity  1.000  
 65   65  mt        -73.8    77.1  Allowed  ?     11  141.520   8  0.19  11  0.34  molprobity  1.000  
 66   66  m         -76.5   -57.6  Favored  ?      7  160.900   7  0.16  10  0.66  molprobity  1.000  
 67   67  ?         -58.6   -39.0  Favored  ?      2  169.980   5  0.33   7  0.43  molprobity  1.000  
 68   68  mt-30     -66.0   -42.6  Favored  ?      8  183.220   9  0.20  12  0.29  molprobity  1.000  
 69   69  p         -64.6   -33.0  Favored  ?      5  147.500   6  0.23   8  0.24  molprobity  1.000  
 70   70  tt0       -67.4   -44.1  Favored  ?      6  165.300   9  0.33  12  0.32  molprobity  1.000  
 71   71  m         -63.4   -48.2  Favored  ?      5  172.950   6  0.36   8  0.61  molprobity  1.000  
 72   72  t80       -50.0   -55.1  Favored  ?      9  151.820  12  0.42  16  0.28  molprobity  1.000  
 73   73  mt        -66.3   -34.2  Favored  ?     11  140.670   8  0.21  11  0.28  molprobity  1.000  
 74   74  ?         -60.2   -50.0  Favored  ?      5  132.960   5  0.49   7  0.46  molprobity  1.000  
 75   75  tt0       -67.0   -32.5  Favored  ?      8  167.470   9  0.22  12  0.22  molprobity  1.000  
 76   76  t         -64.5   -49.4  Favored  ?      9  144.940   7  0.20  10  0.36  molprobity  1.000  
 77   77  mt        -55.6   -53.6  Favored  ?     11  143.550   8  0.32  11  0.53  molprobity  1.000  
 78   78  m         -55.0   -45.9  Favored  ?      7  140.890   7  0.23  10  0.58  molprobity  1.000  
 79   79  m         -62.9   -47.3  Favored  ?      7  140.440   7  0.22  10  0.54  molprobity  1.000  
 80   80  mt        -60.1   -51.2  Favored  ?     11  133.270   8  0.26  11  0.57  molprobity  1.000  
 81   81  tt0       -58.0   -41.2  Favored  ?      8  134.200   9  0.23  12  0.20  molprobity  1.000  
 82   82  tttt      -62.8   -42.7  Favored  ?     13  169.120   9  0.29  11  0.28  molprobity  1.000  
 83   83  t         -62.1   -49.8  Favored  ?      9  140.040   7  0.21  10  0.38  molprobity  1.000  
 84   84  t         -58.9   -38.5  Favored  ?      9  131.660   7  0.17  10  0.33  molprobity  1.000  
 85   85  m         -61.8   -38.9  Favored  ?      7  135.140   7  0.27  10  0.51  molprobity  1.000  
 86   86  mt-30     -82.8     1.3  Favored  ?      8  183.920   9  0.23  12  0.35  molprobity  1.000  
 87   87  mt        -65.9   126.9  Favored  ?     11  152.210   8  0.17  11  0.42  molprobity  1.000  
 88   88  pttm     -157.0   158.8  Favored  ?     13  168.790   9  0.29  11  0.33  molprobity  1.000  
 89   89  ?          83.6  -156.7  Favored  ?      3  160.320   4  0.27   5  0.43  molprobity  1.000  
 90   90  m-80      -61.0   -22.1  Favored  ?      6  173.890   8  0.21  11  0.43  molprobity  1.000  
 91   91  m-20      -86.0    -0.8  Favored  ?      4  176.370   8  0.12  11  0.25  molprobity  1.000  
 92   92  tp        -53.2   -47.7  Favored  ?     11  146.390   8  0.29  11  0.37  molprobity  1.000  
 93   93  mt        -73.5   -53.8  Favored  ?     11  144.310   8  0.33  12  0.90  molprobity  1.000  
 94   94  Cg_endo   -65.3   -58.4  Allowed  ?      7  150.180   8  0.30  11  0.38  molprobity  1.000  
 95   95  m         -45.1   -54.9  Favored  ?      5  146.990   6  0.23   8  0.26  molprobity  1.000  
 96   96  ?         -45.5   -60.9  Favored  ?      3  143.320   4  0.29   5  0.43  molprobity  1.000  
 97   97  t         -52.7   -45.9  Favored  ?      9  134.280   7  0.17  10  0.48  molprobity  1.000  
 98   98  t80       -49.1   -54.6  Favored  ?      9  148.790  12  0.32  16  0.32  molprobity  1.000  
 99   99  m95       -64.8   -40.5  Favored  ?     10  136.600  16  0.21  23  0.31  molprobity  1.000  
100  100  mt        -56.5   -26.8  Favored  ?     11  132.340   8  0.14  11  0.31  molprobity  1.000  
101  101  ?         -74.5   -56.9  Favored  ?      5  139.880   5  0.27   7  0.60  molprobity  1.000  
102  102  m-80      -52.9   -58.2  Favored  ?      6  139.430   8  0.21  11  0.50  molprobity  1.000  
103  103  t         -46.5   -51.4  Favored  ?      9  130.330   7  0.22  10  0.41  molprobity  1.000  
104  104  tpt180    -55.6   -47.9  Favored  ?     13  134.200  11  0.19  14  0.37  molprobity  1.000  
105  105  tp10      -51.2   -54.0  Favored  ?      6  167.200   9  0.26  12  0.44  molprobity  1.000  
106  106  mt        -50.2   -50.8  Favored  ?     11  139.710   8  0.27  11  0.39  molprobity  1.000  
107  107  t80       -52.4   -49.6  Favored  ?      9  141.050  13  0.23  18  0.30  molprobity  1.000  
108  108  m         -53.2   -50.9  Favored  ?      5  153.820   6  0.25   8  0.42  molprobity  1.000  
109  109  t80       -50.8   -52.8  Favored  ?      9  150.280  12  0.36  16  0.26  molprobity  1.000  
110  110  t         -58.5   -43.9  Favored  ?      9  130.500   7  0.31  10  0.44  molprobity  1.000  
111  111  t         -55.0   -51.5  Favored  ?      9  142.840   7  0.20  10  0.54  molprobity  1.000  
112  112  t80       -51.9   -49.1  Favored  ?      9  162.070  12  0.43  16  0.32  molprobity  1.000  
113  113  ?         -53.4   -51.4  Favored  ?      5  154.420   5  0.19   7  0.44  molprobity  1.000  
114  114  tp        -60.9   -44.6  Favored  ?     11  144.410   8  0.22  11  0.35  molprobity  1.000  
115  115  m-20      -67.3   -16.6  Favored  ?      6  201.040   8  0.20  11  0.30  molprobity  1.000  
116  116  m         -83.4   -38.2  Favored  ?      5  183.590   6  0.22   8  0.35  molprobity  1.000  
117  117  mt        -68.8   -35.7  Favored  ?     11  178.150   8  0.20  11  0.41  molprobity  1.000  
118  118  mt        -94.3   -34.1  Favored  ?     11  171.080   8  0.21  11  0.32  molprobity  1.000  
119  119  m         -83.2   -53.7  Favored  ?      7  205.760   7  0.24  10  0.65  molprobity  1.000  
120  120  mm-40     -65.5   124.2  Favored  ?      6  242.260   9  0.22  12  0.32  molprobity  1.000  
121  121  tt0       -66.5   -34.7  Favored  ?      6  247.400   9  0.21  12  0.42  molprobity  1.000  
122  122  p         -56.9   -31.7  Favored  ?      7  195.700   7  0.25  10  0.71  molprobity  1.000  
123  123  m-85      -75.3   -51.4  Favored  ?      9  198.210  12  0.28  16  0.15  molprobity  1.000  
124  124  ?         -66.6   -23.4  Favored  ?      2  227.730   5  0.15   7  0.25  molprobity  1.000  
125  125  t30       -93.2   -28.3  Favored  ?      6  259.470   8  0.19  11  0.39  molprobity  1.000  
126  126  ?         -86.3    -6.2  Favored  ?      3  203.810   4  0.24   5  0.72  molprobity  1.000  
127  127  ptt?     -142.2   167.5  Favored  ?      9  191.930   8  0.23  10  0.44  molprobity  1.000  
128  128  p         -61.0   153.3  Favored  ?      7  207.240   7  0.20  10  0.61  molprobity  1.000  
129  129  m-20      -67.7   -27.4  Favored  ?      4  238.580   8  0.16  11  0.26  molprobity  1.000  
130  130  tp10      -70.5   -49.7  Favored  ?      6  231.710   9  0.24  12  0.38  molprobity  1.000  
131  131  tt0       -62.6   -41.5  Favored  ?      6  199.510   9  0.22  12  0.34  molprobity  1.000  
132  132  t80       -59.8   -44.4  Favored  ?      9  181.310  13  0.18  18  0.26  molprobity  1.000  
133  133  ?         -59.8   -44.1  Favored  ?      2  187.700   5  0.26   7  0.34  molprobity  1.000  
134  134  tt0       -58.5   -49.7  Favored  ?      6  201.530   9  0.20  12  0.29  molprobity  1.000  
135  135  m-85      -63.9   -43.0  Favored  ?      9  166.720  13  0.20  18  0.25  molprobity  1.000  
136  136  t         -58.8   -51.0  Favored  ?      9  163.980   7  0.15  10  0.38  molprobity  1.000  
137  137  t         -55.0   -47.8  Favored  ?      5  186.760   6  0.34   8  0.38  molprobity  1.000  
138  138  tp        -60.7   -56.6  Favored  ?     11  166.280   8  0.21  11  0.35  molprobity  1.000  
139  139  t         -60.7   -43.2  Favored  ?      9  151.000   7  0.14  10  0.38  molprobity  1.000  
140  140  m         -58.5   -50.1  Favored  ?      7  159.470   7  0.35  10  0.68  molprobity  1.000  
141  141  tp10      -56.7   -36.7  Favored  ?      6  175.540   9  0.17  12  0.27  molprobity  1.000  
142  142  tp        -68.7   -42.4  Favored  ?     11  152.170   8  0.22  11  0.40  molprobity  1.000  
143  143  tttm      -57.0   -52.5  Favored  ?     13  158.800   9  0.30  11  0.37  molprobity  1.000  
144  144  m-20      -58.7   -37.9  Favored  ?      4  165.660   8  0.33  11  0.31  molprobity  1.000  
145  145  m-20      -57.4   -49.5  Favored  ?      4  168.240   8  0.29  11  0.34  molprobity  1.000  
146  146  m-85      -69.5   -34.3  Favored  ?      9  141.380  12  0.44  16  0.33  molprobity  1.000  
147  147  tt0       -53.4   -52.2  Favored  ?      6  156.760   9  0.49  12  0.45  molprobity  1.000  
148  148  ?         -61.6   -39.4  Favored  ?      5  142.630   5  0.30   7  0.23  molprobity  1.000  
149  149  tp        -61.3   -50.4  Favored  ?     11  130.560   8  0.26  11  0.28  molprobity  1.000  
150  150  p         -58.3   -44.9  Favored  ?      5  155.490   6  0.24   8  0.30  molprobity  1.000  
151  151  t80       -53.9   -50.1  Favored  ?      9  144.840  13  0.36  18  0.35  molprobity  1.000  
152  152  m-20      -59.5   -57.9  Favored  ?      6  155.210   8  0.26  11  0.30  molprobity  1.000  
153  153  pt        -63.4   -34.7  Favored  ?     11  130.700   8  0.20  11  0.49  molprobity  1.000  
154  154  t80       -60.5   -53.5  Favored  ?      9  139.690  13  0.23  18  0.34  molprobity  1.000  
155  155  m-80      -64.7   -33.8  Favored  ?      6  132.220   8  0.28  11  0.45  molprobity  1.000  
156  156  mt        -64.4   -54.8  Favored  ?     11  147.760   8  0.25  11  0.61  molprobity  1.000  
157  157  t90       -55.4   -52.4  Favored  ?     10  138.670  16  0.22  23  0.30  molprobity  1.000  
158  158  tp        -58.3   -41.5  Favored  ?     11  135.150   8  0.22  11  0.23  molprobity  1.000  
159  159  ttmm      -62.2   -39.9  Favored  ?     13  156.710   9  0.35  11  0.26  molprobity  1.000  
160  160  mttm      -64.7   -47.2  Favored  ?     13  130.410   9  0.34  11  0.32  molprobity  1.000  
161  161  mt        -52.5   -45.9  Favored  ?     11  120.880   8  0.26  11  0.34  molprobity  1.000  
162  162  mt-30     -59.1   -40.0  Favored  ?      8  140.970   9  0.25  12  0.37  molprobity  1.000  
163  163  tttt      -65.8   -29.5  Favored  ?     13  174.710   9  0.32  11  0.28  molprobity  1.000  
164  164  mt-30     -80.3   -42.8  Favored  ?      8  152.680   9  0.34  12  0.32  molprobity  1.000  
165  165  mt        -58.2   -34.2  Favored  ?     11  145.160   8  0.24  11  0.28  molprobity  1.000  
166  166  tt0       -67.3   -26.2  Favored  ?      8  167.730   9  0.20  12  0.30  molprobity  1.000  
167  167  pttt      -85.5   -22.7  Favored  ?     13  177.650   9  0.36  11  0.46  molprobity  1.000  
168  168  mttm     -105.0   -53.9  Favored  ?     13  140.190   9  0.41  11  0.59  molprobity  1.000  
169  169  ?         -66.3   -22.1  Favored  ?      5  133.060   5  0.27   7  0.74  molprobity  1.000  
170  170  mt        -65.1   -55.5  Favored  ?     11  163.050   8  0.18  11  0.49  molprobity  1.000  
171  171  t30       -67.4   -38.7  Favored  ?      6  165.750   8  0.20  11  0.32  molprobity  1.000  
172  172  ?         -62.7   -51.2  Favored  ?      5  143.430   5  0.25   7  0.28  molprobity  1.000  
173  173  t         -77.2   -49.1  Favored  ?      9  138.120   7  0.18  10  0.57  molprobity  1.000  
174  174  t         -81.3   -51.7  Favored  ?      9  164.780   7  0.17  10  0.49  molprobity  1.000  
175  175  mt        -89.1   -43.2  Favored  ?     11  165.460   8  0.20  11  0.55  molprobity  1.000  
176  176  t         -57.4   130.0  Favored  ?      5  159.120   6  0.21   8  0.28  molprobity  1.000  
177  177  pt-20    -123.3   124.0  Favored  ?      6  203.080   9  0.25  12  0.39  molprobity  1.000  
178  178  p        -152.8    87.4  Allowed  ?      5  179.600   6  0.15   8  0.25  molprobity  1.000  
179  179  mt       -106.2   150.6  Favored  ?     11  167.020   8  0.19  12  0.57  molprobity  1.000  
180  180  Cg_endo   -67.2   115.1  Favored  ?      7  185.410   8  0.13  11  0.25  molprobity  1.000  
181  181  ?          75.8    43.4  Favored  ?      3  206.900   4  0.22   5  0.46  molprobity  1.000  
182  182  m-85     -116.6    -3.0  Favored  ?      9  174.750  12  0.45  16  0.23  molprobity  1.000  
183  183  m             ?       ?  ?        ?      5  221.860   5  0.19   5  0.20  molprobity  1.000  
184  184  tt0           ?       ?  ?        ?      5  218.800   9  0.20  12  0.36  molprobity  1.000  
185  185  m-85     -102.9   148.1  Favored  ?      9  165.740  13  0.17  18  0.38  molprobity  1.000  
186  186  p        -115.5  -178.6  Favored  ?      7  162.230   7  0.20  10  0.58  molprobity  1.000  
187  187  mmm       -69.9   -27.7  Favored  ?      9  145.500   8  0.25  10  0.29  molprobity  1.000  
188  188  m-20      -61.5   -32.5  Favored  ?      4  174.320   8  0.19  11  0.29  molprobity  1.000  
189  189  m-20      -68.8   -38.8  Favored  ?      4  161.050   8  0.25  11  0.40  molprobity  1.000  
190  190  mm        -66.7   -46.4  Favored  ?     11  138.860   8  0.27  11  0.52  molprobity  1.000  
191  191  mm?       -61.9   -36.8  Favored  ?     11  145.540   8  0.22  11  0.42  molprobity  1.000  
192  192  m         -67.9   -37.9  Favored  ?      7  154.260   7  0.26  10  0.57  molprobity  1.000  
193  193  t80       -58.9   -59.3  Favored  ?      9  153.280  12  0.42  16  0.37  molprobity  1.000  
194  194  m-85      -61.2   -33.9  Favored  ?      9  141.280  12  0.32  16  0.20  molprobity  1.000  
195  195  m-80      -67.9   -36.1  Favored  ?      6  153.750   8  0.21  11  0.36  molprobity  1.000  
196  196  t         -61.9   -48.5  Favored  ?      5  159.450   6  0.24   8  0.44  molprobity  1.000  
197  197  mt        -57.6   -46.7  Favored  ?     11  140.350   8  0.27  11  0.49  molprobity  1.000  
198  198  t80       -58.8   -55.5  Favored  ?      9  151.830  13  0.31  18  0.31  molprobity  1.000  
199  199  m95       -66.6   -31.3  Favored  ?     10  189.030  16  0.24  23  0.16  molprobity  1.000  
200  200  m         -68.5   -46.4  Favored  ?      5  156.800   6  0.21   8  0.20  molprobity  1.000  
201  201  mtt       -71.6   -20.4  Favored  ?      9  163.130   8  0.23  10  0.34  molprobity  1.000  
202  202  tptm      -83.3   -49.1  Favored  ?     13  191.280   9  0.24  11  0.29  molprobity  1.000  
203  203  m         -70.2   -19.9  Favored  ?      5  184.530   6  0.19   8  0.26  molprobity  1.000  
204  204  m-30     -102.7    18.8  Favored  ?      9  170.140  12  0.30  16  0.30  molprobity  1.000  
205  205  m-70       54.0    48.8  Favored  ?      7  190.900  11  0.18  15  0.35  molprobity  1.000  
206  206  mm        -94.9   137.2  Favored  ?     11  151.990   8  0.15  11  0.44  molprobity  1.000  
207  207  pm0       -56.6   136.4  Favored  ?      6  195.310   9  0.35  12  0.32  molprobity  1.000  
208  208  m-20      -68.0   -19.2  Favored  ?      6  184.530   8  0.26  11  0.43  molprobity  1.000  
209  209  mp0       -64.5   -36.7  Favored  ?      6  169.620   9  0.28  12  0.39  molprobity  1.000  
210  210  t         -64.9   -44.3  Favored  ?      9  142.070   7  0.17  10  0.38  molprobity  1.000  
211  211  t80       -57.5   -52.0  Favored  ?      9  153.640  12  0.36  16  0.32  molprobity  1.000  
212  212  t60       -47.7   -54.1  Favored  ?      7  172.820  11  0.19  15  0.25  molprobity  1.000  
213  213  ?         -57.7   -56.5  Favored  ?      5  147.610   5  0.35   7  0.40  molprobity  1.000  
214  214  t         -51.3   -54.6  Favored  ?      9  136.600   7  0.27  10  0.59  molprobity  1.000  
215  215  t         -66.7   -39.0  Favored  ?      9  139.570   7  0.25  10  0.49  molprobity  1.000  
216  216  m         -58.7   -47.8  Favored  ?      7  142.610   7  0.29  10  0.65  molprobity  1.000  
217  217  m         -57.2   -49.2  Favored  ?      7  144.410   7  0.29  10  0.60  molprobity  1.000  
218  218  mt        -65.4   -36.5  Favored  ?     11  133.260   8  0.20  11  0.34  molprobity  1.000  
219  219  mt        -68.1   -48.3  Favored  ?     11  139.330   8  0.20  11  0.33  molprobity  1.000  
220  220  m-20      -56.2   -40.8  Favored  ?      6  147.550   8  0.20  11  0.27  molprobity  1.000  
221  221  t80       -61.8   -48.1  Favored  ?      9  134.630  13  0.25  18  0.29  molprobity  1.000  
222  222  t         -58.3   -48.0  Favored  ?      9  142.520   7  0.24  10  0.48  molprobity  1.000  
223  223  t0        -53.4   -48.7  Favored  ?      4  144.680   8  0.25  11  0.46  molprobity  1.000  
224  224  ?         -61.8   -57.1  Favored  ?      5  129.050   5  0.23   7  0.27  molprobity  1.000  
225  225  pt        -64.8   -36.1  Favored  ?     11  131.990   8  0.21  11  0.45  molprobity  1.000  
226  226  m         -73.1   -37.3  Favored  ?      5  138.160   6  0.27   8  0.26  molprobity  1.000  
227  227  t80       -64.4   -43.4  Favored  ?      9  147.140  12  0.31  16  0.19  molprobity  1.000  
228  228  m-20      -68.6   -20.4  Favored  ?      6  143.680   8  0.21  11  0.29  molprobity  1.000  
229  229  mm-40     -81.8   -40.3  Favored  ?      6  154.040   9  0.15  12  0.33  molprobity  1.000  
230  230  mt        -67.2   -44.1  Favored  ?     11  150.030   8  0.14  11  0.61  molprobity  1.000  
231  231  tt        -68.5   -21.2  Favored  ?     11  155.590   8  0.16  11  0.33  molprobity  1.000  
232  232  mmm       -98.1    -3.4  Favored  ?      9  140.210   8  0.18  10  0.24  molprobity  0.813  
233  233  mmtt      -70.9   139.8  Favored  ?     13  158.240   9  0.30  11  0.46  molprobity  1.000  
234  234  ptt180   -139.6   159.9  Favored  ?     13  170.110  11  0.45  14  0.74  molprobity  1.000  
235  235  m-20       50.4    45.0  Favored  ?      6  155.740   8  0.21  11  0.46  molprobity  1.000  
236  236  t80      -155.2   -37.5  Allowed  ?      9  145.800  12  0.40  16  0.28  molprobity  1.000  
237  237  mt        -75.1    81.8  Favored  ?     11  148.100   8  0.20  11  0.27  molprobity  1.000  
238  238  p        -108.0   173.0  Favored  ?      5  147.680   6  0.18   8  0.19  molprobity  1.000  
239  239  t90       -63.5   -40.4  Favored  ?     10  145.100  16  0.12  23  0.20  molprobity  1.000  
240  240  ttmp?     -59.4   -45.1  Favored  ?     13  173.170   9  0.40  11  0.61  molprobity  1.000  
241  241  tpp180    -65.3   -34.6  Favored  ?     13  155.430  11  0.20  14  0.28  molprobity  1.000  
242  242  ?         -65.3   -41.5  Favored  ?      3  143.790   4  0.29   5  0.60  molprobity  1.000  
243  243  tp        -62.2   -44.3  Favored  ?     11  147.420   8  0.19  11  0.38  molprobity  1.000  
244  244  tp60      -63.6   -46.7  Favored  ?      8  157.690   9  0.30  12  0.33  molprobity  1.000  
245  245  tp        -57.2   -48.6  Favored  ?     11  148.930   8  0.26  11  0.37  molprobity  1.000  
246  246  t30       -56.5   -38.7  Favored  ?      6  157.310   8  0.23  11  0.33  molprobity  1.000  
247  247  t80       -62.8   -53.5  Favored  ?      9  175.620  13  0.36  18  0.31  molprobity  1.000  
248  248  m-20      -57.8   -52.5  Favored  ?      6  141.070   8  0.48  11  0.52  molprobity  1.000  
249  249  t         -52.2   -43.6  Favored  ?      9  146.470   7  0.24  10  0.44  molprobity  1.000  
250  250  m         -60.7   -40.6  Favored  ?      7  174.720   7  0.14  10  0.56  molprobity  1.000  
251  251  mtp180    -57.1   -50.5  Favored  ?     13  164.330  11  0.32  14  0.37  molprobity  1.000  
252  252  mt        -56.3   -47.7  Favored  ?     11  156.540   8  0.26  11  0.30  molprobity  1.000  
253  253  mt-10     -56.1   -41.0  Favored  ?      6  175.380   9  0.19  12  0.27  molprobity  1.000  
254  254  mm-40     -61.7   -43.1  Favored  ?      6  199.820   9  0.21  12  0.32  molprobity  1.000  
255  255  t90       -61.5   -43.9  Favored  ?     10  160.360  16  0.20  23  0.18  molprobity  1.000  
256  256  m         -58.6   -49.3  Favored  ?      5  153.230   6  0.46   8  0.36  molprobity  1.000  
257  257  ttpt      -64.2   -41.2  Favored  ?     13  172.430   9  0.26  11  0.21  molprobity  1.000  
258  258  p         -83.9     0.6  Favored  ?      7  161.420   7  0.25  10  0.68  molprobity  1.000  
259  259  m80      -128.1    34.2  Favored  ?      7  170.840  11  0.18  15  0.34  molprobity  1.000  
260  260  ?          96.7   -28.3  Favored  ?      3  171.820   4  0.19   5  0.60  molprobity  1.000  
261  261  mt        -70.9   120.7  Favored  ?     11  175.960   8  0.21  11  0.43  molprobity  1.000  
262  262  p         -95.2   -33.3  Favored  ?      7  204.030   7  0.29  10  0.53  molprobity  1.000  
263  263  p-10      -95.1    30.8  Favored  ?      4  283.280   8  0.18  11  0.52  molprobity  1.000  
264  264  ?         -78.7   -25.2  Favored  ?      3  198.300   4  0.21   5  0.34  molprobity  1.000  
265  265  m         -72.8   -45.8  Favored  ?      7  181.760   7  0.19  10  0.60  molprobity  1.000  
266  266  mp0       -63.7   -23.6  Favored  ?      6  198.520   9  0.22  12  0.34  molprobity  1.000  
267  267  m         -72.2   -39.3  Favored  ?      5  170.150   6  0.24   8  0.25  molprobity  1.000  
268  268  mt        -92.4    10.7  Favored  ?     11  149.140   8  0.18  11  0.44  molprobity  1.000  
269  269  mm-40     -50.5   -46.1  Favored  ?      8  175.700   9  0.27  12  0.57  molprobity  1.000  
270  270  m80       -63.7   -38.6  Favored  ?      7  162.190  11  0.13  15  0.17  molprobity  1.000  
271  271  mt        -68.2   -44.1  Favored  ?     11  142.210   8  0.19  11  0.23  molprobity  1.000  
272  272  mt        -56.3   -54.8  Favored  ?     11  151.020   8  0.20  11  0.59  molprobity  1.000  
273  273  mt-30     -61.5   -32.9  Favored  ?      8  161.210   9  0.21  12  0.27  molprobity  1.000  
274  274  m         -64.6   -48.0  Favored  ?      7  151.380   7  0.30  10  0.55  molprobity  1.000  
275  275  ?         -61.2   -44.5  Favored  ?      5  163.190   5  0.22   7  0.33  molprobity  1.000  
276  276  mttt      -57.8   -42.7  Favored  ?     13  173.310   9  0.18  11  0.27  molprobity  1.000  
277  277  tt        -61.4   -42.3  Favored  ?     11  149.630   8  0.25  11  0.62  molprobity  1.000  
278  278  mt        -72.1   -18.6  Favored  ?     11  147.140   8  0.18  11  0.36  molprobity  1.000  
279  279  mt-30     -96.8   -43.6  Favored  ?      8  164.430   9  0.21  12  0.38  molprobity  1.000  
280  280  m         -64.3   159.4  Favored  ?      9  171.300   7  0.16  10  0.70  molprobity  1.000  
281  281  ?         -69.2   136.5  Favored  ?      2  196.100   5  0.21   7  0.27  molprobity  1.000  
282  282  mtmm     -130.1    43.0  Favored  ?     13  169.380   9  0.28  11  0.22  molprobity  1.000  
283  283  ?         -97.4   -24.4  Favored  ?      2  186.130   5  0.18   7  0.38  molprobity  1.000  
284  284  p        -117.2   163.2  Favored  ?      7  216.770   7  0.24  10  0.59  molprobity  1.000  
285  285  mt        -64.2   -38.0  Favored  ?     11  219.760   8  0.23  11  0.45  molprobity  1.000  
286  286  tt0       -59.8   -42.7  Favored  ?      6  238.030   9  0.22  12  0.26  molprobity  1.000  
287  287  m-20      -59.8   -35.0  Favored  ?      4  227.150   8  0.18  11  0.29  molprobity  1.000  
288  288  mm        -70.1   -41.5  Favored  ?     11  198.130   8  0.19  11  0.47  molprobity  1.000  
289  289  m-20      -65.8   -36.0  Favored  ?      4  213.010   8  0.21  11  0.28  molprobity  1.000  
290  290  mt        -60.1   -44.5  Favored  ?     11  215.210   8  0.18  11  0.55  molprobity  1.000  
291  291  tp        -58.8   -40.5  Favored  ?     11  185.310   8  0.15  11  0.33  molprobity  1.000  
292  292  mtp180    -64.4   -35.8  Favored  ?     13  206.230  11  0.16  14  0.42  molprobity  1.000  
293  293  ?         -65.5   -44.9  Favored  ?      3  216.360   4  0.25   5  0.27  molprobity  1.000  
294  294  mt        -72.9   -48.6  Favored  ?     11  194.240   8  0.20  11  0.45  molprobity  1.000  
295  295  m         -86.5    79.7  Favored  ?      5  188.530   6  0.21   8  0.24  molprobity  1.000  
296  296  p90       -86.5   -28.3  Favored  ?      9  195.080  13  0.22  18  0.22  molprobity  1.000  
297  297  m         -78.8   -16.4  Favored  ?      5  169.500   6  0.22   8  0.21  molprobity  1.000  
298  298  mt        -93.7   133.0  Favored  ?     11  169.340   8  0.19  11  0.30  molprobity  1.000  
299  299  p         -76.9   155.4  Favored  ?      7  185.760   7  0.27  11  0.66  molprobity  1.000  
300  300  Cg_exo    -53.6   -37.1  Favored  ?      7  184.540   8  0.19  11  0.29  molprobity  1.000  
301  301  ?         -66.2   -41.0  Favored  ?      5  165.320   5  0.23   7  0.33  molprobity  1.000  
302  302  mt-30     -65.7   -37.7  Favored  ?      8  169.130   9  0.19  12  0.28  molprobity  1.000  
303  303  mt        -62.3   -43.5  Favored  ?     11  176.290   8  0.18  11  0.48  molprobity  1.000  
304  304  tt0       -61.8   -47.7  Favored  ?      8  170.250   9  0.20  12  0.28  molprobity  1.000  
305  305  mmtt      -60.3   -48.6  Favored  ?     13  160.460   9  0.21  11  0.25  molprobity  1.000  
306  306  mt        -58.5   -50.0  Favored  ?     11  159.520   8  0.20  11  0.25  molprobity  1.000  
307  307  mt        -64.5   -41.0  Favored  ?     11  172.090   8  0.20  11  0.42  molprobity  1.000  
308  308  p         -68.8   -14.6  Favored  ?      5  170.880   6  0.27   8  0.35  molprobity  1.000  
309  309  mt-30    -116.8    22.0  Favored  ?      8  196.170   9  0.23  12  0.31  molprobity  1.000  
310  310  t80       -77.0   136.2  Favored  ?      9  176.980  13  0.30  18  0.25  molprobity  1.000  
311  311  mm-40     -99.1   113.0  Favored  ?      8  178.300   9  0.25  12  0.36  molprobity  1.000  
312  312  t         -80.6   128.3  Favored  ?      9  168.410   7  0.24  10  0.37  molprobity  1.000  
313  313  ?         -85.0   171.7  Favored  ?      5  174.690   5  0.20   7  0.35  molprobity  1.000  
314  314  m-20      -69.3   136.3  Favored  ?      4  185.640   8  0.19  11  0.40  molprobity  1.000  
315  315  ?          60.5    55.0  Favored  ?      2  181.590   5  0.16   7  0.69  molprobity  1.000  
316  316  tt0      -150.9   129.4  Favored  ?      6  186.950   9  0.33  12  0.43  molprobity  1.000  
317  317  t         -71.4   118.9  Favored  ?      5  212.510   6  0.28   9  0.65  molprobity  1.000  
318  318  Cg_exo    -57.1   150.5  Favored  ?      7  182.460   8  0.18  11  0.24  molprobity  1.000  
319  319  mt        -71.2   125.0  Favored  ?     11  176.390   8  0.15  12  0.64  molprobity  1.000  
320  320  Cg_exo    -55.8   154.5  Favored  ?      7  183.860   8  0.13  11  0.27  molprobity  1.000  
321  321  mm-40     -75.5   -26.5  Favored  ?      8  200.540   9  0.19  12  0.29  molprobity  1.000  
322  322  mm-40     -63.2   -36.9  Favored  ?      6  248.880   9  0.22  12  0.46  molprobity  1.000  
323  323  mm        -64.1   -51.4  Favored  ?     11  202.200   8  0.20  11  0.40  molprobity  1.000  
324  324  mt        -59.9   -42.6  Favored  ?     11  181.900   8  0.19  11  0.35  molprobity  1.000  
325  325  ttp180    -58.3   -42.7  Favored  ?     13  236.010  11  0.17  14  0.33  molprobity  1.000  
326  326  t80       -61.7   -42.3  Favored  ?      9  211.360  13  0.20  18  0.20  molprobity  1.000  
327  327  t         -61.4   -49.8  Favored  ?      9  199.970   7  0.25  10  0.36  molprobity  1.000  
328  328  ?         -58.6   -38.1  Favored  ?      5  227.500   5  0.15   7  0.21  molprobity  1.000  
329  329  m-20      -64.8   -38.9  Favored  ?      4  278.360   8  0.19  11  0.25  molprobity  1.000  
330  330  mt        -65.1   -43.6  Favored  ?     11  218.030   8  0.19  11  0.53  molprobity  1.000  
331  331  t         -62.5   -42.4  Favored  ?      9  198.790   7  0.17  10  0.32  molprobity  1.000  
332  332  tttt      -59.5   -44.4  Favored  ?     13  225.360   9  0.31  11  0.35  molprobity  1.000  
333  333  ttpt      -60.5   -35.9  Favored  ?     13  235.440   9  0.27  11  0.27  molprobity  1.000  
334  334  tp10      -75.7   -32.3  Favored  ?      6  256.340   9  0.23  12  0.31  molprobity  1.000  
335  335  ?         -67.3   -36.0  Favored  ?      5  251.610   5  0.16   7  0.30  molprobity  1.000  
336  336  ?         -66.7   -34.7  Favored  ?      5  272.790   5  0.14   7  0.25  molprobity  1.000  
337  337  mt            ?       ?  ?        ?     11  254.210   7  0.18   8  0.41  molprobity  1.000  
338  338  p             ?       ?  ?        ?      4  208.410   6  0.21   8  0.21  molprobity  1.000  
339  339  t        -100.4   167.9  Favored  ?      5  193.240   6  0.19   8  0.12  molprobity  1.000  
340  340  pt        -78.4    -1.7  Favored  ?     11  160.110   8  0.18  11  0.57  molprobity  1.000  
341  341  m-85      -95.6   162.0  Favored  ?      9  151.960  12  0.36  16  0.37  molprobity  1.000  
342  342  mt       -106.2   126.1  Favored  ?     11  169.090   8  0.16  11  0.43  molprobity  1.000  
343  343  m         -77.8   111.4  Favored  ?      7  174.230   7  0.28  11  0.73  molprobity  1.000  
344  344  Cg_exo    -66.8   147.0  Favored  ?      7  150.500   8  0.21  11  0.30  molprobity  1.000  
345  345  tp10      -85.8    96.1  Favored  ?      6  169.320   9  0.22  12  0.25  molprobity  1.000  
346  346  p         -88.9   -20.3  Favored  ?      7  173.380   7  0.20  10  0.65  molprobity  1.000  
347  347  ?         120.2   179.6  Favored  Y      3  168.670   4  0.25   6  0.62  molprobity  1.000  
348  348  Cg_exo    -77.4   167.3  Favored  ?      7  147.060   8  0.25  11  0.36  molprobity  1.000  
349  349  m-85     -118.9   158.4  Favored  ?      9  133.350  12  0.49  16  0.34  molprobity  1.000  
350  350  m         -66.4   131.0  Favored  ?      7  136.690   7  0.28  10  0.53  molprobity  1.000  
351  351  t0        -64.2   117.9  Favored  ?      4  165.480   8  0.21  12  0.52  molprobity  1.000  
352  352  Cg_endo   -61.4   -34.1  Favored  ?      7  157.530   8  0.16  11  0.29  molprobity  1.000  
353  353  m-85      -56.9   -29.8  Favored  ?      9  146.330  12  0.35  16  0.29  molprobity  1.000  
354  354  p         -81.4    15.9  Allowed  ?      5  150.990   6  0.19   8  0.22  molprobity  1.000  
355  355  mt       -124.7    -4.5  Favored  ?     11  161.700   8  0.20  11  0.30  molprobity  1.000  
356  356  mt       -107.8   138.0  Favored  ?     11  171.830   8  0.17  11  0.43  molprobity  1.000  
357  357  ?         -55.1   120.9  Favored  ?      2  196.910   5  0.23   7  0.44  molprobity  1.000  
358  358  p         -59.3   141.8  Favored  ?      7  177.250   7  0.18  10  0.67  molprobity  1.000  
359  359  mtt180    -57.5   130.4  Favored  ?     13  190.910  11  0.17  14  0.43  molprobity  1.000  
360  360  tttt      -66.0   122.1  Favored  ?     13  203.590   9  0.21  11  0.28  molprobity  1.000  
361  361  t80       -76.1   133.2  Favored  ?      9  189.530  12  0.30  16  0.29  molprobity  1.000  
362  362  m-20     -117.5   159.7  Favored  ?      4  215.910   8  0.18  11  0.28  molprobity  1.000  
363  363  mt-30     -60.5   126.7  Favored  ?      8  206.790   9  0.19  12  0.49  molprobity  1.000  
364  364  t         -86.3   128.7  Favored  ?      9  182.640   7  0.19  10  0.54  molprobity  1.000  
365  365  tt0       -77.1   138.8  Favored  ?      6  203.790   9  0.29  12  0.35  molprobity  1.000  
366  366  ?         -63.0   103.7  Allowed  ?      5  180.060   5  0.17   7  0.23  molprobity  1.000  
367  367  t80      -155.9   136.8  Favored  ?      9  215.360  13  0.27  18  0.32  molprobity  1.000  
368  368  tt       -126.9   126.8  Favored  ?     11  175.370   8  0.21  12  0.60  molprobity  1.000  
369  369  Cg_exo    -47.7   123.9  Favored  ?      7  176.680   8  0.17  11  0.28  molprobity  1.000  
370  370  ?         -65.8   -22.1  Favored  ?      5  170.020   5  0.24   7  0.42  molprobity  1.000  
371  371  p-90      -80.2    -6.5  Favored  ?     10  164.330  16  0.19  23  0.20  molprobity  1.000  
372  372  mt        -80.4   154.5  Favored  ?     11  176.370   8  0.17  11  0.49  molprobity  1.000  
373  373  t        -111.3    52.8  Allowed  ?      5  218.010   6  0.23   8  0.22  molprobity  1.000  
374  374  mt       -120.1    92.0  Favored  ?     11  168.050   8  0.24  12  0.54  molprobity  1.000  
375  375  Cg_exo    -61.0   -56.4  Allowed  ?      7  169.100   8  0.25  11  0.39  molprobity  1.000  
376  376  m         -59.0   -44.7  Favored  ?      5  189.630   6  0.18   8  0.22  molprobity  1.000  
377  377  m         -63.7   -41.6  Favored  ?      7  150.850   7  0.29  10  0.59  molprobity  1.000  
378  378  ttpp      -63.6   -43.3  Favored  ?     13  167.010   9  0.20  11  0.20  molprobity  1.000  
379  379  tpt180    -61.7   -40.6  Favored  ?     13  172.410  11  0.24  14  0.37  molprobity  1.000  
380  380  mt        -57.5   -55.8  Favored  ?     11  147.340   8  0.19  11  0.49  molprobity  1.000  
381  381  t         -58.1   -46.6  Favored  ?      9  158.840   7  0.36  10  0.58  molprobity  1.000  
382  382  m-20      -57.4   -41.7  Favored  ?      4  217.270   8  0.22  11  0.64  molprobity  1.000  
383  383  mt        -66.7   -41.0  Favored  ?     11  158.600   8  0.25  11  0.35  molprobity  1.000  
384  384  t         -58.9   -40.2  Favored  ?      9  168.800   7  0.29  10  0.35  molprobity  1.000  
385  385  ?         -54.9   -54.8  Favored  ?      5  196.020   5  0.39   7  0.35  molprobity  1.000  
386  386  mt-30     -59.9   -34.5  Favored  ?      8  204.460   9  0.27  12  0.31  molprobity  1.000  
387  387  tt0       -60.9   -50.2  Favored  ?      8  185.910   9  0.22  12  0.29  molprobity  1.000  
388  388  t         -63.0   -38.6  Favored  ?      9  187.140   7  0.15  10  0.35  molprobity  1.000  
389  389  t         -59.0   -40.7  Favored  ?      9  199.400   7  0.20  10  0.41  molprobity  1.000  
390  390  tt0       -62.6   -42.5  Favored  ?      8  212.360   9  0.25  12  0.33  molprobity  1.000  
391  391  m-20          ?       ?  ?        ?      4  198.600   7  0.12   8  0.31  molprobity  1.000  
392  392  t80           ?       ?  ?        ?      8  254.250  12  0.83  16  0.45  molprobity  1.000  
393  393  mttt     -114.5   118.0  Favored  ?     13  233.580   9  0.29  11  0.50  molprobity  1.000  
394  394  ?         -76.2   -18.6  Favored  ?      2  211.930   5  0.14   7  0.15  molprobity  1.000  
395  395  ?          77.2  -178.1  Favored  ?      3  183.820   4  0.29   5  0.42  molprobity  1.000  
396  396  tp       -129.7    97.2  Favored  ?     11  165.230   8  0.21  11  0.26  molprobity  1.000  
397  397  t-20      -99.6    74.7  Allowed  ?      6  191.170   8  0.31  11  0.30  molprobity  1.000  
398  398  mt        -67.9   111.4  Favored  ?     11  166.820   8  0.24  11  0.51  molprobity  1.000  
399  399  m80       -71.9    70.7  Allowed  ?      7  186.890  11  0.16  15  0.34  molprobity  1.000  
400  400  m         -80.8   -30.3  Favored  ?      5  167.750   6  0.25   8  0.33  molprobity  1.000  
401  401  mt       -100.7   130.8  Favored  ?     11  167.170   8  0.19  11  0.49  molprobity  1.000  
402  402  pttt     -116.7   164.7  Favored  ?     13  181.470   9  0.23  11  0.27  molprobity  1.000  
403  403  t        -137.4   125.2  Favored  ?      9  196.930   7  0.19  10  0.51  molprobity  1.000  
404  404  p        -124.2   133.1  Favored  ?      7  242.790   7  0.25  10  0.53  molprobity  1.000  
405  405  m        -121.2   128.7  Favored  ?      5  268.610   6  0.22   8  0.20  molprobity  1.000  
406  406  p             ?       ?  ?        ?      5  266.620   5  0.30   5  0.23  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   14  HG3    1  0.46  1.81  
 2   20  ND2    2  0.41  2.53  
 3   24  HG21   3  0.48  1.96  
 4   26  HA3    4  0.46  1.98  
 5   48  CD2    5  0.47  2.50  
 6   48  CG     6  0.46  2.49  
 7   49  HD3    5  0.47  2.50  
 8   49  HD3    6  0.46  2.49  
 9   49  HD2    7  0.41  2.21  
10   66  HG23   8  0.45  1.98  
11   68  HE22   1  0.46  1.81  
12   75  HG2    3  0.48  1.96  
13   75  OE1    2  0.41  2.53  
14   77  HD23   9  0.50  1.94  
15   95  O     10  0.48  2.14  
16   98  HB3   10  0.48  2.14  
17  102  OD1    7  0.41  2.21  
18  103  HG21  11  0.45  1.98  
19  138  HD22   8  0.45  1.98  
20  149  HD22   9  0.50  1.94  
21  153  HD13  11  0.45  1.98  
22  157  CZ2   12  0.46  2.51  
23  161  HD11  12  0.46  2.51  
24  165  HD12  13  0.59  1.85  
25  172  O     14  0.54  2.08  
26  176  HB3   14  0.54  2.08  
27  209  HB2   15  0.46  1.98  
28  218  HD22  13  0.59  1.85  
29  233  O     16  0.50  2.45  
30  249  HG11  17  0.65  1.78  
31  266  HA    18  0.55  1.88  
32  269  HG2   18  0.55  1.88  
33  272  HG12  17  0.65  1.78  
34  309  NE2   16  0.50  2.45  
35  320  HB2   19  0.45  1.98  
36  322  OE1   20  0.43  2.52  
37  323  HG12  19  0.45  1.98  
38  325  NH2   20  0.43  2.52  
39  356  HD11  15  0.46  1.98  
40  374  HD21   4  0.46  1.98  
41  384  HG11  21  0.54  1.89  
42  401  HD13  21  0.54  1.89  
#
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   8  0.825  0.252   0.398  
  2    2   5  0.947  0.205  -0.113  
  3    3   7  0.954  0.170  -0.463  
  4    4   9  0.906  0.181  -0.587  
  5    5   8  0.983  0.340   0.706  
  6    6   8  0.895  0.375   1.697  
  7    7   9  0.887  0.262   0.049  
  8    8   9  0.955  0.159  -0.854  
  9    9   8  0.986  0.388   1.053  
 10   10  12  0.974  0.320   0.654  
 11   11  11  0.928  0.214  -0.464  
 12   12   8  0.979  0.371   0.904  
 13   13   8  0.994  0.516   2.175  
 14   14   9  0.946  0.313   0.496  
 15   15   8  0.925  0.300   0.857  
 16   16   7  0.942  0.330   1.223  
 17   17   9  0.916  0.259   0.023  
 18   18   8  0.971  0.301   0.354  
 19   19   8  0.987  0.361   0.817  
 20   20   8  0.979  0.238   0.250  
 21   21   9  0.927  0.185  -0.548  
 22   22   9  0.961  0.199  -0.503  
 23   23   8  0.994  0.330   0.616  
 24   24   7  0.972  0.180  -0.357  
 25   25   9  0.927  0.214  -0.372  
 26   26   4  0.970  0.182  -0.183  
 27   27   8  0.981  0.401   1.167  
 28   28   8  0.994  0.429   1.413  
 29   29   9  0.899  0.213  -0.572  
 30   30   4  0.954  0.197  -0.048  
 31   31  11  0.966  0.246  -0.159  
 32   32   9  0.927  0.186  -0.617  
 33   33   7  0.938  0.337   0.769  
 34   34   7  0.958  0.260   0.423  
 35   35   8  0.672  0.283   0.682  
 36   36   5  0.754  0.551   3.106  
 37   37   7  0.935  0.525   2.447  
 38   38   5  0.896  0.219   0.018  
 39   39   8  0.657  0.188  -0.668  
 40   40   6  0.841  0.181  -0.587  
 41   41   8  0.896  0.384   1.018  
 42   42   6  0.920  0.122  -0.855  
 43   43   9  0.890  0.484   1.542  
 44   44  11  0.950  0.409   1.077  
 45   45   8  0.913  0.209  -0.079  
 46   46   7  0.977  0.464   1.903  
 47   47   7  0.991  0.314   0.563  
 48   48  12  0.956  0.285   0.329  
 49   49   7  0.973  0.273   0.552  
 50   50   5  0.983  0.233   0.148  
 51   51  11  0.948  0.389   0.919  
 52   52   8  0.989  0.426   1.484  
 53   53   8  0.994  0.400   1.159  
 54   54   8  0.996  0.445   1.656  
 55   55   8  0.996  0.491   2.071  
 56   56   7  0.995  0.314   0.563  
 57   57   8  0.994  0.414   1.281  
 58   58   6  0.983  0.220   0.173  
 59   59   9  0.982  0.448   1.679  
 60   60   8  0.992  0.322   0.815  
 61   61  14  0.981  0.400   1.581  
 62   62  11  0.980  0.294   0.168  
 63   63  11  0.966  0.358   0.823  
 64   64   4  0.940  0.233   0.275  
 65   65   8  0.961  0.372   0.913  
 66   66   7  0.930  0.260   0.486  
 67   67   5  0.888  0.172  -0.892  
 68   68   9  0.884  0.398   1.494  
 69   69   6  0.966  0.196  -0.079  
 70   70   9  0.957  0.207  -0.433  
 71   71   6  0.977  0.195  -0.089  
 72   72  11  0.985  0.364   0.876  
 73   73   8  0.978  0.411   1.255  
 74   74   5  0.968  0.180  -0.345  
 75   75   9  0.890  0.293   0.487  
 76   76   7  0.993  0.376   1.117  
 77   77   8  0.984  0.360   0.808  
 78   78   7  0.975  0.178  -0.378  
 79   79   7  0.987  0.278   0.675  
 80   80   8  0.995  0.307   0.408  
 81   81   9  0.955  0.284   0.401  
 82   82   9  0.918  0.227  -0.463  
 83   83   7  0.986  0.287   0.322  
 84   84   7  0.994  0.380   1.153  
 85   85   7  0.974  0.221   0.075  
 86   86   9  0.963  0.233  -0.088  
 87   87   8  0.961  0.343   0.659  
 88   88   9  0.916  0.251  -0.275  
 89   89   4  0.944  0.132  -0.632  
 90   90   8  0.955  0.184  -0.320  
 91   91   8  0.950  0.190  -0.275  
 92   92   8  0.985  0.410   1.246  
 93   93   8  0.984  0.344   0.742  
 94   94   7  0.979  0.287   0.692  
 95   95   6  0.961  0.294   0.950  
 96   96   4  0.991  0.230   0.248  
 97   97   7  0.988  0.429   1.590  
 98   98  11  0.993  0.412   1.296  
 99   99  14  0.980  0.368   1.261  
100  100   8  0.985  0.521   2.219  
101  101   5  0.989  0.286   0.641  
102  102   8  0.990  0.279   0.683  
103  103   7  0.987  0.365   1.019  
104  104  11  0.961  0.219  -0.424  
105  105   9  0.979  0.293   0.321  
106  106   8  0.988  0.312   0.387  
107  107  12  0.945  0.275   0.236  
108  108   6  0.987  0.179  -0.257  
109  109  11  0.987  0.411   1.287  
110  110   7  0.988  0.374   1.099  
111  111   7  0.964  0.219  -0.285  
112  112  11  0.971  0.289   0.218  
113  113   5  0.995  0.328   1.032  
114  114   8  0.965  0.287   0.168  
115  115   8  0.938  0.186  -0.299  
116  116   6  0.972  0.282   0.824  
117  117   8  0.989  0.413   1.366  
118  118   8  0.959  0.316   0.422  
119  119   7  0.932  0.176  -0.399  
120  120   9  0.883  0.177  -0.696  
121  121   9  0.956  0.142  -1.003  
122  122   7  0.981  0.196  -0.189  
123  123  11  0.957  0.466   1.770  
124  124   5  0.910  0.162  -0.970  
125  125   8  0.957  0.214  -0.003  
126  126   4  0.956  0.149  -0.479  
127  127   8  0.916  0.297   0.583  
128  128   7  0.953  0.227   0.138  
129  129   8  0.869  0.233   0.168  
130  130   9  0.926  0.191  -0.573  
131  131   9  0.936  0.377   1.057  
132  132  12  0.919  0.285   0.329  
133  133   5  0.959  0.137  -1.165  
134  134   9  0.975  0.266   0.084  
135  135  12  0.987  0.485   2.186  
136  136   7  0.977  0.360   0.974  
137  137   6  0.965  0.178  -0.268  
138  138   8  0.993  0.333   0.571  
139  139   7  0.984  0.466   1.921  
140  140   7  0.967  0.182  -0.336  
141  141   9  0.947  0.157  -0.871  
142  142   8  0.976  0.407   1.220  
143  143   9  0.871  0.346   0.466  
144  144   8  0.966  0.151  -0.676  
145  145   8  0.936  0.157  -0.614  
146  146  11  0.981  0.509   2.146  
147  147   9  0.963  0.241  -0.135  
148  148   5  0.986  0.182  -0.327  
149  149   8  0.987  0.426   1.387  
150  150   6  0.962  0.269   0.687  
151  151  12  0.974  0.266   0.152  
152  152   8  0.962  0.193  -0.225  
153  153   8  0.995  0.401   1.258  
154  154  12  0.981  0.266   0.152  
155  155   8  0.965  0.226   0.124  
156  156   8  0.987  0.271   0.082  
157  157  14  0.989  0.318   0.762  
158  158   8  0.990  0.332   0.563  
159  159   9  0.952  0.381   0.739  
160  160   9  0.973  0.206  -0.626  
161  161   8  0.984  0.429   1.413  
162  162   9  0.977  0.277   0.334  
163  163   9  0.907  0.298   0.091  
164  164   9  0.962  0.228  -0.136  
165  165   8  0.979  0.427   1.395  
166  166   9  0.906  0.296   0.516  
167  167   9  0.868  0.391   0.817  
168  168   9  0.934  0.338   0.403  
169  169   5  0.992  0.374   1.460  
170  170   8  0.973  0.408   1.321  
171  171   8  0.957  0.232   0.187  
172  172   5  0.981  0.226   0.083  
173  173   7  0.982  0.379   1.144  
174  174   7  0.956  0.358   0.956  
175  175   8  0.977  0.309   0.426  
176  176   6  0.946  0.225   0.226  
177  177   9  0.891  0.205  -0.450  
178  178   6  0.934  0.171  -0.341  
179  179   8  0.914  0.579   2.727  
180  180   7  0.962  0.309   0.910  
181  181   4  0.933  0.255   0.472  
182  182  11  0.843  0.450   1.629  
183  183   6  0.916  0.113  -0.950  
184  184   9  0.769  0.167  -0.784  
185  185  12  0.918  0.226  -0.219  
186  186   7  0.975  0.202  -0.125  
187  187   8  0.968  0.254   0.184  
188  188   8  0.972  0.189  -0.285  
189  189   8  0.934  0.148  -0.707  
190  190   8  0.994  0.381   1.077  
191  191   8  0.990  0.391   1.080  
192  192   7  0.981  0.157  -0.600  
193  193  11  0.983  0.402   1.209  
194  194  11  0.995  0.421   1.375  
195  195   8  0.961  0.205  -0.098  
196  196   6  0.968  0.237   0.352  
197  197   8  0.990  0.311   0.444  
198  198  12  0.967  0.232  -0.163  
199  199  14  0.950  0.276   0.343  
200  200   6  0.983  0.312   1.450  
201  201   8  0.966  0.416   1.688  
202  202   9  0.939  0.261  -0.197  
203  203   6  0.962  0.287   0.876  
204  204  11  0.971  0.493   2.006  
205  205  10  0.902  0.307   0.819  
206  206   8  0.962  0.412   1.357  
207  207   9  0.935  0.421   1.443  
208  208   8  0.948  0.216   0.018  
209  209   9  0.912  0.218  -0.337  
210  210   7  0.985  0.400   1.331  
211  211  11  0.971  0.283   0.166  
212  212  10  0.953  0.158  -0.673  
213  213   5  0.988  0.221   0.036  
214  214   7  0.994  0.248  -0.026  
215  215   7  0.992  0.262   0.099  
216  216   7  0.968  0.216   0.022  
217  217   7  0.958  0.291   0.812  
218  218   8  0.988  0.378   0.966  
219  219   8  0.994  0.285   0.151  
220  220   8  0.948  0.164  -0.531  
221  221  12  0.964  0.267   0.162  
222  222   7  0.992  0.318   0.599  
223  223   8  0.969  0.213  -0.038  
224  224   5  0.981  0.229   0.111  
225  225   8  0.981  0.371   0.986  
226  226   6  0.961  0.204   0.182  
227  227  11  0.985  0.384   1.051  
228  228   8  0.972  0.234   0.208  
229  229   9  0.899  0.208  -0.424  
230  230   8  0.992  0.407   1.220  
231  231   8  0.990  0.540   2.514  
232  232   8  0.939  0.281   0.435  
233  233   9  0.902  0.369   0.645  
234  234  11  0.868  0.204  -0.543  
235  235   8  0.900  0.160  -0.573  
236  236  11  0.916  0.385   1.060  
237  237   8  0.950  0.506   2.088  
238  238   6  0.938  0.163  -0.425  
239  239  14  0.914  0.281   0.393  
240  240   9  0.933  0.330   0.341  
241  241  11  0.922  0.335   0.492  
242  242   4  0.995  0.179  -0.210  
243  243   8  0.985  0.287   0.168  
244  244   9  0.947  0.305   0.602  
245  245   8  0.994  0.393   1.097  
246  246   8  0.971  0.173  -0.436  
247  247  12  0.972  0.340   0.839  
248  248   8  0.980  0.291   0.810  
249  249   7  0.991  0.375   1.108  
250  250   7  0.976  0.222   0.085  
251  251  11  0.945  0.431   1.250  
252  252   8  0.991  0.477   1.833  
253  253   9  0.949  0.342   0.750  
254  254   9  0.940  0.257   0.005  
255  255  14  0.971  0.276   0.343  
256  256   6  0.986  0.198   0.112  
257  257   9  0.934  0.241  -0.353  
258  258   7  0.947  0.217   0.033  
259  259  10  0.959  0.214  -0.112  
260  260   4  0.967  0.162  -0.363  
261  261   8  0.933  0.470   1.772  
262  262   7  0.975  0.190  -0.252  
263  263   8  0.905  0.199  -0.182  
264  264   4  0.933  0.243   0.364  
265  265   7  0.930  0.208  -0.062  
266  266   9  0.927  0.193  -0.556  
267  267   6  0.962  0.162  -0.311  
268  268   8  0.994  0.375   0.940  
269  269   9  0.967  0.244   0.017  
270  270  10  0.963  0.221  -0.042  
271  271   8  0.996  0.426   1.387  
272  272   8  0.970  0.298   0.326  
273  273   9  0.967  0.211  -0.299  
274  274   7  0.993  0.358   1.518  
275  275   5  0.990  0.217  -0.001  
276  276   9  0.919  0.356   0.544  
277  277   8  0.991  0.424   1.369  
278  278   8  0.992  0.502   2.053  
279  279   9  0.963  0.231  -0.107  
280  280   7  0.963  0.237  -0.124  
281  281   5  0.942  0.162  -0.874  
282  282   9  0.909  0.688   3.133  
283  283   5  0.859  0.163  -0.804  
284  284   7  0.934  0.143  -0.747  
285  285   8  0.932  0.256  -0.053  
286  286   9  0.959  0.228  -0.249  
287  287   8  0.893  0.140  -0.789  
288  288   8  0.985  0.464   1.827  
289  289   8  0.967  0.148  -0.707  
290  290   8  0.973  0.247  -0.135  
291  291   8  0.987  0.579   2.727  
292  292  11  0.915  0.219  -0.424  
293  293   4  0.962  0.142  -0.542  
294  294   8  0.974  0.225  -0.334  
295  295   6  0.952  0.206   0.205  
296  296  12  0.976  0.137  -1.045  
297  297   6  0.960  0.120  -0.876  
298  298   8  0.972  0.388   1.053  
299  299   7  0.973  0.182  -0.336  
300  300   7  0.960  0.212  -0.055  
301  301   5  0.988  0.151  -0.615  
302  302   9  0.979  0.445   1.944  
303  303   8  0.983  0.397   1.132  
304  304   9  0.969  0.205  -0.357  
305  305   9  0.956  0.399   0.879  
306  306   8  0.992  0.599   2.903  
307  307   8  0.984  0.496   2.117  
308  308   6  0.968  0.147  -0.593  
309  309   9  0.956  0.439   1.887  
310  310  12  0.921  0.342   0.858  
311  311   9  0.864  0.247   0.046  
312  312   7  0.906  0.266   0.135  
313  313   5  0.936  0.222   0.046  
314  314   8  0.871  0.140  -0.789  
315  315   5  0.950  0.213  -0.340  
316  316   9  0.874  0.246  -0.091  
317  317   6  0.926  0.184  -0.205  
318  318   7  0.963  0.134  -0.831  
319  319   8  0.956  0.517   2.307  
320  320   7  0.950  0.224   0.065  
321  321   9  0.973  0.137  -1.009  
322  322   9  0.907  0.120  -1.195  
323  323   8  0.980  0.282   0.182  
324  324   8  0.970  0.290   0.195  
325  325  11  0.916  0.149  -0.977  
326  326  12  0.940  0.239  -0.098  
327  327   7  0.990  0.270   0.171  
328  328   5  0.983  0.133  -0.782  
329  329   8  0.949  0.195  -0.223  
330  330   8  0.973  0.235  -0.243  
331  331   7  0.976  0.226  -0.222  
332  332   9  0.943  0.214  -0.564  
333  333   9  0.934  0.279  -0.057  
334  334   9  0.960  0.176  -0.705  
335  335   5  0.923  0.092  -1.164  
336  336   5  0.881  0.208  -0.085  
337  337   8  0.637  0.372   0.913  
338  338   6  0.852  0.112  -0.960  
339  339   6  0.958  0.149  -0.572  
340  340   8  0.947  0.418   1.411  
341  341  11  0.940  0.408   1.261  
342  342   8  0.951  0.413   1.366  
343  343   7  0.942  0.235   0.222  
344  344   7  0.971  0.331   1.129  
345  345   9  0.918  0.277   0.181  
346  346   7  0.972  0.300   0.907  
347  347   4  0.904  0.184  -0.165  
348  348   7  0.967  0.291   0.731  
349  349  11  0.948  0.272   0.069  
350  350   7  0.961  0.242   0.296  
351  351   8  0.903  0.244   0.281  
352  352   7  0.977  0.231   0.134  
353  353  11  0.955  0.395   1.147  
354  354   6  0.972  0.193  -0.110  
355  355   8  0.954  0.267  -0.007  
356  356   8  0.910  0.372   0.995  
357  357   5  0.979  0.204  -0.642  
358  358   7  0.914  0.269   0.581  
359  359  11  0.850  0.534   2.064  
360  360   9  0.932  0.183  -0.806  
361  361  11  0.911  0.469   1.796  
362  362   8  0.924  0.215  -0.017  
363  363   9  0.924  0.311   0.660  
364  364   7  0.949  0.323   0.644  
365  365   9  0.921  0.166  -0.792  
366  366   5  0.944  0.361   1.339  
367  367  12  0.919  0.280   0.282  
368  368   8  0.966  0.460   1.791  
369  369   7  0.963  0.268   0.502  
370  370   5  0.971  0.168  -0.457  
371  371  14  0.918  0.211  -0.305  
372  372   8  0.929  0.369   0.887  
373  373   6  0.916  0.157  -0.488  
374  374   8  0.985  0.321   0.466  
375  375   7  0.988  0.142  -0.751  
376  376   6  0.976  0.236   0.341  
377  377   7  0.985  0.344   1.371  
378  378   9  0.941  0.268  -0.143  
379  379  11  0.959  0.344   0.563  
380  380   8  0.989  0.378   1.050  
381  381   7  0.994  0.358   0.956  
382  382   8  0.962  0.240   0.240  
383  383   8  0.989  0.358   0.791  
384  384   7  0.994  0.293   0.376  
385  385   5  0.952  0.229   0.111  
386  386   9  0.939  0.210  -0.309  
387  387   9  0.982  0.232  -0.098  
388  388   7  0.954  0.270   0.171  
389  389   7  0.965  0.196  -0.490  
390  390   9  0.975  0.237  -0.050  
391  391   8  0.856  0.190  -0.275  
392  392  11  0.598  0.507   2.129  
393  393   9  0.872  0.397   0.863  
394  394   5  0.899  0.320   0.263  
395  395   4  0.872  0.275   0.652  
396  396   8  0.981  0.471   1.781  
397  397   8  0.952  0.288   0.778  
398  398   8  0.975  0.484   1.895  
399  399  10  0.897  0.224  -0.012  
400  400   6  0.943  0.291   0.918  
401  401   8  0.950  0.476   1.936  
402  402   9  0.869  0.274  -0.096  
403  403   7  0.793  0.239  -0.106  
404  404   7  0.917  0.089  -1.316  
405  405   6  0.869  0.119  -0.887  
406  406   6  0.920  0.105  -1.034  
#
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          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
