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Cysteines number does not match the actual input #78

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areyesromero opened this issue Jan 4, 2022 · 3 comments
Open

Cysteines number does not match the actual input #78

areyesromero opened this issue Jan 4, 2022 · 3 comments
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@pschmidtke
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bug
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Release 5.0

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@areyesromero
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areyesromero commented Jan 4, 2022 •
edited
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The number of cysteine (2) does not match what reported in cavity number 155 (pocket155_atm.pdb) (0) with the highest drug score. Similarly, cavity number 1 (pocket1_atm.pdb) has the same problem (6 cysteines written but 3 in the output file).
This issue may be extended to the number of other specific residues.

the command code used is:

fpocket -d -f AF-O00443-F1-model_v1.pdb

the content of pocket155_atm.pdb is:

HEADER
HEADER This is a pdb format file writen by the programm fpocket.                 
HEADER It represents the atoms contacted by the voronoi vertices of the pocket.  
HEADER                                                                           
HEADER Information about the pocket   155:
HEADER 0  - Pocket Score                      : -0.5104
HEADER 1  - Drug Score                        : 0.9381
HEADER 2  - Number of alpha spheres           :    96
HEADER 3  - Mean alpha-sphere radius          : 4.0597
HEADER 4  - Mean alpha-sphere Solvent Acc.    : 0.5132
HEADER 5  - Mean B-factor of pocket residues  : 0.5434
HEADER 6  - Hydrophobicity Score              : 40.1667
HEADER 7  - Polarity Score                    :     7
HEADER 8  - Amino Acid based volume Score     : 4.7778
HEADER 9  - Pocket volume (Monte Carlo)       : 1091.1110
HEADER 10  -Pocket volume (convex hull)       : 340.0840
HEADER 11 - Charge Score                      :     3
HEADER 12 - Local hydrophobic density Score   : 40.0938
HEADER 13 - Number of apolar alpha sphere     :    64
HEADER 14 - Proportion of apolar alpha sphere : 0.6667
ATOM  10176   CA ARG A1284      -2.823 -21.705 -13.745  0.00  0.00           C 0
ATOM  10137   CB PHE A1279      -6.130 -25.140 -14.417  0.00  0.00           C 0
ATOM  10180   CG ARG A1284      -4.178 -20.356 -15.453  0.00  0.00           C 0
ATOM  10179    O ARG A1284      -0.800 -21.436 -15.001  0.57  1.07           O 0
ATOM  11028  CD1 ILE A1390      -5.614 -23.347 -24.155  0.00  0.00           C 0
ATOM  10143  CE2 PHE A1279      -8.439 -25.471 -17.453  0.00  0.00           C 0
ATOM  11027  CG2 ILE A1390      -6.964 -21.160 -22.391  0.00  0.00           C 0
ATOM  10144   CZ PHE A1279      -8.133 -26.768 -17.900  0.00  0.00           C 0
ATOM  11026  CG1 ILE A1390      -4.897 -22.323 -23.262  0.00  0.00           C 0
ATOM  10998  OD1 ASN A1387      -3.784 -18.707 -19.069  0.64  2.14           O 0
ATOM  10182   NE ARG A1284      -5.596 -19.162 -17.055  0.46  1.09           N 0
ATOM  10141  CD2 PHE A1279      -7.782 -24.942 -16.328  0.00  0.00           C 0
ATOM  10170    O LYS A1283      -1.112 -23.602 -12.425  0.61  2.14           O 0
ATOM  10957  CG2 ILE A1382       5.799 -23.697 -23.471  0.00  0.00           C 0
ATOM  10983   CB PHE A1386       0.705 -22.598 -22.802  0.00  0.00           C 0
ATOM  10985   CG PHE A1386      -0.365 -23.639 -23.069  0.00  0.00           C 0
ATOM  10960   CA ALA A1383       3.333 -21.967 -19.495  0.00  0.00           C 0
ATOM  10203  NH2 ARG A1286       0.797 -27.942 -14.106  0.00  0.00           N 0
ATOM  10158   CB PHE A1282      -1.920 -27.451 -11.553  0.00  0.00           C 0
ATOM  10201   NE ARG A1286       1.759 -25.878 -13.881  0.72  2.19           N 0
ATOM  10140  CD1 PHE A1279      -6.511 -27.007 -16.096  0.00  0.00           C 0
ATOM  10162  CD2 PHE A1282      -2.337 -29.909 -12.025  0.00  0.00           C 0
ATOM  10122   CG GLN A1277      -8.458 -19.391 -12.346  0.00  0.00           C 0
ATOM  10183  NH1 ARG A1284      -7.461 -17.815 -16.971  0.42  7.66           N 0
ATOM  10181   CD ARG A1284      -5.347 -19.379 -15.626  0.00  0.00           C 0
ATOM  10124  NE2 GLN A1277     -10.654 -20.256 -11.712  0.00  0.00           N 0
ATOM  10178   CB ARG A1284      -4.041 -20.795 -13.991  0.00  0.00           C 0
ATOM  10139   CG PHE A1279      -6.813 -25.707 -15.648  0.00  0.00           C 0
ATOM    267  OE1 GLU A  35       1.814 -29.463 -25.505  0.72  7.50           O 0
ATOM    265   CG GLU A  35       1.466 -31.535 -24.353  0.00  0.00           C 0
ATOM    263   CB GLU A  35       2.103 -32.161 -23.102  0.00  0.00           C 0
ATOM  10990   CZ PHE A1386      -2.366 -25.552 -23.590  0.00  0.00           C 0
ATOM  10987  CD2 PHE A1386      -0.312 -24.418 -24.241  0.00  0.00           C 0
ATOM  10130    O MET A1278      -8.478 -23.693 -11.596  0.38  9.64           O 0
ATOM  10185   CZ ARG A1284      -6.596 -18.530 -17.629  0.00  0.00           C 0
ATOM  10184  NH2 ARG A1284      -6.694 -18.603 -18.923  0.17  3.28           N 0
ATOM  10138    O PHE A1279      -5.618 -27.459 -12.583  0.40  4.29           O 0
ATOM  10988  CE1 PHE A1386      -2.424 -24.775 -22.419  0.00  0.00           C 0
ATOM  10142  CE1 PHE A1279      -7.170 -27.535 -17.221  0.00  0.00           C 0
ATOM    261   CA GLU A  35       1.120 -32.973 -22.236  0.00  0.00           C 0
ATOM    286   CB ALA A  38      -3.086 -33.168 -21.058  0.00  0.00           C 0
ATOM  10200   CD ARG A1286       2.861 -24.895 -13.937  0.00  0.00           C 0
ATOM  10202  NH1 ARG A1286       2.960 -27.735 -14.545  0.00  0.00           N 0
ATOM  10962   CB ALA A1383       3.375 -22.365 -18.014  0.00  0.00           C 0
ATOM  10204   CZ ARG A1286       1.844 -27.170 -14.176  0.00  0.00           C 0
ATOM    210   CE LYS A  28      12.115 -29.264 -24.486  0.00  0.00           C 0
ATOM    208   CG LYS A  28      11.581 -29.937 -22.161  0.00  0.00           C 0
ATOM  10958  CD1 ILE A1382       8.663 -24.845 -23.298  0.00  0.00           C 0
ATOM    242  CD2 LEU A  32       7.075 -32.342 -25.097  0.00  0.00           C 0
ATOM    240   CG LEU A  32       7.906 -32.763 -23.882  0.00  0.00           C 0
ATOM  10986  CD1 PHE A1386      -1.425 -23.819 -22.159  0.00  0.00           C 0
ATOM  10963    O ALA A1383       1.483 -20.493 -19.906  0.58  1.07           O 0
ATOM  10994   CB ASN A1387      -1.470 -18.678 -19.690  0.00  0.00           C 0
ATOM  10991    N ASN A1387      -0.755 -19.925 -21.683  0.00  0.00           N 0
ATOM  10992   CA ASN A1387      -1.880 -19.204 -21.081  0.00  0.00           C 0
ATOM    255   CB MET A  34       2.123 -32.938 -17.746  0.00  0.00           C 0
ATOM    266   CD GLU A  35       2.372 -30.471 -25.008  0.00  0.00           C 0
ATOM    268  OE2 GLU A  35       3.611 -30.653 -25.011  0.83  7.50           O 0
ATOM    234    O ALA A  31       4.359 -32.054 -20.443  0.00  0.00           O 0
ATOM    258   SD MET A  34       2.312 -31.874 -15.153  0.00  0.00           S 0
ATOM    233   CB ALA A  31       6.881 -30.093 -19.333  0.00  0.00           C 0
ATOM    207    O LYS A  28       9.372 -32.116 -20.944  0.00  0.00           O 0
ATOM  10954   CB ILE A1382       6.772 -23.353 -22.324  0.00  0.00           C 0
ATOM    232    C ALA A  31       5.577 -32.057 -20.273  0.00  0.00           C 0
ATOM  10959    N ALA A1383       4.693 -22.047 -20.035  0.00  0.00           N 0
ATOM    235    N LEU A  32       6.427 -32.666 -21.110  0.00  0.00           N 0
ATOM    260    N GLU A  35       1.770 -33.280 -20.956  0.00  0.00           N 0
ATOM    254    C MET A  34       1.118 -33.745 -19.888  0.00  0.00           C 0
ATOM    256    O MET A  34      -0.105 -33.859 -19.874  0.57  4.29           O 0
ATOM    259   CE MET A  34       4.020 -31.391 -15.491  0.00  0.00           C 0
ATOM    231   CA ALA A  31       6.158 -31.407 -19.008  0.00  0.00           C 0
TER
END

the content of pocket1_atm.pdb is:

HEADER
HEADER This is a pdb format file writen by the programm fpocket.                 
HEADER It represents the atoms contacted by the voronoi vertices of the pocket.  
HEADER                                                                           
HEADER Information about the pocket     1:
HEADER 0  - Pocket Score                      : 1.8469
HEADER 1  - Drug Score                        : 0.7632
HEADER 2  - Number of alpha spheres           :   435
HEADER 3  - Mean alpha-sphere radius          : 3.9180
HEADER 4  - Mean alpha-sphere Solvent Acc.    : 0.4931
HEADER 5  - Mean B-factor of pocket residues  : 0.8473
HEADER 6  - Hydrophobicity Score              : 12.4302
HEADER 7  - Polarity Score                    :    52
HEADER 8  - Amino Acid based volume Score     : 4.0698
HEADER 9  - Pocket volume (Monte Carlo)       : 3849.8582
HEADER 10  -Pocket volume (convex hull)       : 8111.0654
HEADER 11 - Charge Score                      :     3
HEADER 12 - Local hydrophobic density Score   : 29.5676
HEADER 13 - Number of apolar alpha sphere     :   148
HEADER 14 - Proportion of apolar alpha sphere : 0.3402
ATOM   3899   CD LYS A 498       5.673   8.609 -15.467  0.00  0.00           C 0
ATOM   3874  ND2 ASN A 495       1.017  11.876 -13.424  0.67  4.37           N 0
ATOM   3868    N ASN A 495       3.912  13.488 -14.756  0.00  0.00           N 0
ATOM   3873   CG ASN A 495       1.381  11.577 -14.645  0.00  0.00           C 0
ATOM   9221    N GLY A1164      15.562   8.171  -6.288  0.50  1.09           N 0
ATOM   9199    O LEU A1161      12.688   9.783  -6.369  0.61  6.43           O 0
ATOM   3254    O ARG A 415      15.742  14.633  -4.496  0.38  5.36           O 0
ATOM   9222   CA GLY A1164      16.146   8.529  -7.590  0.00  0.00           C 0
ATOM   3274  CG1 ILE A 417      14.369  16.012  -9.328  0.00  0.00           C 0
ATOM   8089  OD2 ASP A1020     -17.476  -3.462   7.433  0.55  5.36           O 0
ATOM   8088  OD1 ASP A1020     -19.456  -3.749   8.343  0.63  4.29           O 0
ATOM   8105  OE1 GLN A1022     -18.611  -7.223  12.931  0.00  0.00           O 0
ATOM   8115  CE2 PHE A1023     -16.772  -3.784  11.971  0.00  0.00           C 0
ATOM  10624    O PRO A1339     -13.362  -5.070   7.048  0.00  0.00           O 0
ATOM   8033  CD2 LEU A1013     -11.875   4.702  -0.423  0.00  0.00           C 0
ATOM   7718   CA PRO A 976      -8.599   3.663   2.599  0.00  0.00           C 0
ATOM   7758  NE2 GLN A 980     -12.159   0.197   4.620  0.55  5.47           N 0
ATOM   7720   CB PRO A 976      -8.095   2.822   1.418  0.00  0.00           C 0
ATOM   3862   CB GLN A 494       5.754  13.868 -12.158  0.00  0.00           C 0
ATOM   3901   NZ LYS A 498       6.765   7.272 -13.613  0.68  2.19           N 0
ATOM   3875  OD1 ASN A 495       1.415  10.411 -14.993  0.47  5.36           O 0
ATOM   3900   CE LYS A 498       5.814   7.257 -14.763  0.00  0.00           C 0
ATOM   7749  CG1 VAL A 979     -13.530   4.060   5.179  0.00  0.00           C 0
ATOM   7786    O TYR A 984     -11.443   1.180  17.932  0.00  0.00           O 0
ATOM   7808  CG1 ILE A 986     -13.347   1.446  21.541  0.00  0.00           C 0
ATOM   7798    O GLU A 985     -15.007   2.473  17.526  0.00  4.29           O 0
ATOM   7777    O LYS A 983     -14.084  -0.978  14.782  0.00  0.00           O 0
ATOM   7496   CA SER A 948      -7.348  -3.508  16.812  0.00  0.00           C 0
ATOM   7499    O SER A 948      -7.058  -4.322  19.052  0.58  3.21           O 0
ATOM   7788  CD1 TYR A 984     -10.787  -2.533  14.573  0.00  0.00           C 0
ATOM   7785   CB TYR A 984     -10.201  -0.220  15.518  0.00  0.00           C 0
ATOM   7524   CB ALA A 951      -8.783  -1.076  22.369  0.00  0.00           C 0
ATOM   7514    O PHE A 950      -6.092   0.643  19.674  0.00  0.00           O 0
ATOM   9282  CD1 ILE A1171       2.118   4.929 -10.055  0.00  0.00           C 0
ATOM   9278   CB ILE A1171      -0.080   4.949 -11.380  0.00  0.00           C 0
ATOM   3838   CD GLU A 491      -0.466  12.206  -8.643  0.00  0.00           C 0
ATOM   3839  OE1 GLU A 491      -1.581  11.895  -9.131  0.69  4.29           O 0
ATOM   3837   CG GLU A 491       0.611  12.858  -9.554  0.00  0.00           C 0
ATOM   8057  OD1 ASP A1016     -17.659   0.667  -2.577  0.00  0.00           O 0
ATOM   9056   NE ARG A1144     -15.356  -3.621  -1.512  0.58  4.37           N 0
ATOM   8075   CB HIS A1019     -21.911  -1.951   1.108  0.00  0.00           C 0
ATOM   9335   CA ARG A1179     -21.340  -2.030  -4.098  0.00  0.00           C 0
ATOM   8078  CD2 HIS A1019     -22.003  -0.268  -0.840  0.00  0.00           C 0
ATOM   8055    O ASP A1016     -19.551   0.742   0.924  0.56  2.14           O 0
ATOM   3244   CB GLN A 414      11.198  14.473  -5.524  0.00  0.00           C 0
ATOM   3247   CD GLN A 414      10.301  13.672  -7.781  0.00  0.00           C 0
ATOM   7991  OD1 ASN A1009      -9.855  10.308  -3.838  0.00  0.00           O 0
ATOM   7691  CG2 THR A 972      -5.838  11.941  -1.966  0.00  0.00           C 0
ATOM   9302   NZ LYS A1173      -5.682  11.608  -9.746  0.44  1.09           N 0
ATOM   7959  NE2 GLN A1005      -7.750  13.883  -5.320  0.65  2.19           N 0
ATOM   9337   CB ARG A1179     -22.370  -2.693  -3.179  0.00  0.00           C 0
ATOM   9339   CG ARG A1179     -22.440  -4.195  -3.418  0.00  0.00           C 0
ATOM   9351  OD1 ASP A1180     -20.283  -6.418  -5.419  0.71  8.57           O 0
ATOM   8128  CG2 THR A1025     -25.708   3.438  13.157  0.00  0.00           C 0
ATOM   8170  CE1 HIS A1029     -25.441   6.923  14.091  0.00  0.00           C 0
ATOM   2960  ND2 ASN A 378     -26.741   7.398  19.766  0.55  7.66           N 0
ATOM   2979  OE2 GLU A 380     -22.140   6.476  20.614  0.00  0.00           O 0
ATOM   7498   CB SER A 948      -8.011  -4.737  16.185  0.00  0.00           C 0
ATOM   8100   CB GLN A1022     -20.372  -5.353  11.477  0.00  0.00           C 0
ATOM   3861    C GLN A 494       5.241  13.568 -14.629  0.00  0.00           C 0
ATOM   9279    O ILE A1171      -2.146   6.386 -12.829  0.50  6.43           O 0
ATOM   9281  CG2 ILE A1171      -1.064   4.769 -10.202  0.00  0.00           C 0
ATOM   9301   CE LYS A1173      -5.661  10.465 -10.685  0.00  0.00           C 0
ATOM   3884    C ARG A 497       7.899  13.160 -18.827  0.00  0.00           C 0
ATOM   9240  OD2 ASP A1166      10.181   8.850 -14.417  0.60  7.50           O 0
ATOM   3893    N LYS A 498       7.071  12.310 -18.216  0.00  0.00           N 0
ATOM   3886    O ARG A 497       8.794  12.782 -19.573  0.00  5.36           O 0
ATOM   9202  CD2 LEU A1161       9.902   8.897 -10.046  0.00  0.00           C 0
ATOM   3865   CD GLN A 494       6.563  14.242  -9.725  0.00  0.00           C 0
ATOM   3864   CG GLN A 494       6.655  14.652 -11.192  0.00  0.00           C 0
ATOM   8101    O GLN A1022     -21.519  -2.519  12.527  0.00  0.00           O 0
ATOM   8133   CB ARG A1026     -19.613   3.468  12.743  0.00  0.00           C 0
ATOM   8137   NE ARG A1026     -17.685   3.087  15.146  0.23  2.19           N 0
ATOM   8112  CD1 PHE A1023     -17.622  -1.220  12.753  0.00  0.00           C 0
ATOM   3295  OE2 GLU A 420      17.154  13.276 -13.887  0.00  0.00           O 0
ATOM   3276  CD1 ILE A 417      13.283  15.984 -10.415  0.00  0.00           C 0
ATOM   9224    O GLY A1164      16.577   7.593  -9.748  0.40  9.64           O 0
ATOM   3867  OE1 GLN A 494       5.795  13.397  -9.285  0.48  3.21           O 0
ATOM   3836    O GLU A 491       2.003  14.266 -12.380  0.00  0.00           O 0
ATOM   8114  CE1 PHE A1023     -16.897  -2.026  13.649  0.00  0.00           C 0
ATOM   8139  NH2 ARG A1026     -18.009   3.260  17.377  0.00  4.37           N 0
ATOM   7807    O ILE A 986     -17.378   3.334  20.077  0.28  6.43           O 0
ATOM   7804   CA ILE A 986     -15.058   2.800  20.297  0.00  0.00           C 0
ATOM   6236   CG PRO A 794     -18.898   0.146  23.182  0.00  0.00           C 0
ATOM   7783   CA TYR A 984     -11.669   0.141  15.783  0.00  0.00           C 0
ATOM   7522   CA ALA A 951      -7.896   0.008  21.741  0.00  0.00           C 0
ATOM   9138   CE LYS A1154      -0.203   8.859  -6.253  0.00  0.00           C 0
ATOM   3840  OE2 GLU A 491      -0.197  11.945  -7.442  0.56  2.14           O 0
ATOM   9299   CG LYS A1173      -6.584   8.247 -11.036  0.00  0.00           C 0
ATOM   9307    O CYS A1174      -9.945   4.173  -7.935  0.00  0.00           O 0
ATOM   9300   CD LYS A1173      -6.988   9.694 -10.747  0.00  0.00           C 0
ATOM   8058  OD2 ASP A1016     -16.369   0.459  -0.781  0.62  6.43           O 0
ATOM   9054   CG ARG A1144     -14.244  -1.763  -2.766  0.00  0.00           C 0
ATOM   8060   CA ALA A1017     -18.215   1.539   3.253  0.00  0.00           C 0
ATOM   8062   CB ALA A1017     -17.181   2.226   4.150  0.00  0.00           C 0
ATOM   7667  OD1 ASP A 969      -1.621  16.053  -2.733  0.58  6.43           O 0
ATOM   3220   CG PRO A 410      -2.623  15.774  -6.509  0.00  0.00           C 0
ATOM   7957   CG GLN A1005      -7.458  15.488  -3.506  0.00  0.00           C 0
ATOM   9057  NH1 ARG A1144     -15.243  -3.872   0.756  0.37  6.56           N 0
ATOM   8076    O HIS A1019     -22.107  -3.800   3.520  0.56  5.36           O 0
ATOM   8074    C HIS A1019     -21.756  -2.620   3.586  0.00  0.00           C 0
ATOM   9341   NE ARG A1179     -23.258  -6.326  -2.614  0.53  1.09           N 0
ATOM   9342  NH1 ARG A1179     -24.404  -6.998  -0.741  0.48  5.47           N 0
ATOM   9340   CD ARG A1179     -23.212  -4.895  -2.312  0.00  0.00           C 0
ATOM   9344   CZ ARG A1179     -23.810  -7.261  -1.875  0.00  0.00           C 0
ATOM   9058  NH2 ARG A1144     -15.341  -5.677  -0.564  0.00  0.00           N 0
ATOM   9040  OD2 ASP A1142     -15.563  -6.293  -3.197  0.66  2.14           O 0
ATOM   9038   CG ASP A1142     -15.586  -5.585  -4.232  0.00  0.00           C 0
ATOM   9343  NH2 ARG A1179     -23.797  -8.489  -2.291  0.00  0.00           N 0
ATOM   7829  CD1 LEU A 988     -22.117   8.199  17.019  0.00  0.00           C 0
ATOM   7830  CD2 LEU A 988     -20.420   6.952  15.714  0.00  0.00           C 0
ATOM   8130    N ARG A1026     -21.916   3.433  11.825  0.00  0.00           N 0
ATOM   7828   CG LEU A 988     -20.704   7.615  17.067  0.00  0.00           C 0
ATOM   8103   CD GLN A1022     -18.894  -6.147  13.433  0.00  0.00           C 0
ATOM   6205    O LYS A 790     -24.319  -9.010  16.153  0.41  1.07           O 0
ATOM   6390  CD1 TRP A 812     -23.941  -6.255  14.400  0.00  0.00           C 0
ATOM   8104  NE2 GLN A1022     -18.182  -5.743  14.462  0.00  0.00           N 0
ATOM   8116   CZ PHE A1023     -16.463  -3.303  13.255  0.00  0.00           C 0
ATOM   6204   CB LYS A 790     -22.127 -11.336  16.275  0.00  0.00           C 0
ATOM   1089  CD1 ILE A 137     -18.059 -12.219   7.536  0.00  0.00           C 0
ATOM  10634   CA GLY A1341     -13.992  -7.829   3.625  0.00  0.00           C 0
ATOM   3885   CB ARG A 497       8.608  14.987 -17.303  0.00  0.00           C 0
ATOM   3891  NH2 ARG A 497      13.196  15.488 -15.568  0.32  6.56           N 0
ATOM   3889   NE ARG A 497      11.120  16.276 -16.099  0.47  1.09           N 0
ATOM   9163  OD2 ASP A1157       5.508   6.550  -9.901  0.40  5.36           O 0
ATOM   3863    O GLN A 494       6.009  12.990 -15.391  0.66  1.07           O 0
ATOM   3890  NH1 ARG A 497      11.758  15.888 -13.918  0.00  0.00           N 0
ATOM   3860   CA GLN A 494       5.812  14.502 -13.559  0.00  0.00           C 0
ATOM   3275  CG2 ILE A 417      16.242  16.095 -11.000  0.00  0.00           C 0
ATOM   3293   CD GLU A 420      18.367  12.958 -13.809  0.00  0.00           C 0
ATOM   3294  OE1 GLU A 420      18.797  11.790 -13.935  0.00  0.00           O 0
ATOM   8102   CG GLN A1022     -20.043  -5.253  12.974  0.00  0.00           C 0
ATOM   6394  NE1 TRP A 812     -24.015  -4.885  14.570  0.76  7.66           N 0
ATOM   6222   OG SER A 792     -19.480  -6.924  18.939  0.70  2.14           O 0
ATOM   9233    N ASP A1166      13.137   6.424 -11.355  0.56  4.37           N 0
ATOM   9236   CB ASP A1166      11.740   7.771 -12.940  0.00  0.00           C 0
ATOM   9223    C GLY A1164      15.887   7.539  -8.735  0.00  0.00           C 0
ATOM   9171   CE LYS A1158       2.900  10.369  -4.382  0.00  0.00           C 0
ATOM   9169   CG LYS A1158       4.628   8.546  -4.579  0.00  0.00           C 0
ATOM   9039  OD1 ASP A1142     -15.359  -4.358  -4.185  0.64  2.14           O 0
ATOM   9083   SD MET A1147     -11.734   2.030  -4.759  0.00  0.00           S 0
ATOM   9052   CB ARG A1144     -12.924  -2.565  -2.804  0.00  0.00           C 0
ATOM   9053    O ARG A1144      -9.785  -2.523  -3.339  0.57  1.07           O 0
ATOM   8054   CB ASP A1016     -17.462   2.539  -1.127  0.00  0.00           C 0
ATOM   9321    O SER A1176     -16.134   4.013  -5.208  0.79  1.07           O 0
ATOM   9320   CB SER A1176     -15.431   1.021  -5.112  0.00  0.00           C 0
ATOM   7699  OD1 ASP A 973      -2.079   9.129  -3.449  0.00  0.00           O 0
ATOM   9055   CD ARG A1144     -15.159  -2.162  -1.598  0.00  0.00           C 0
ATOM  10630   CB SER A1340     -11.429  -4.020   3.369  0.00  0.00           C 0
ATOM  10631    O SER A1340     -14.291  -5.083   3.164  0.24  2.14           O 0
ATOM  10636    O GLY A1341     -14.482  -8.620   1.427  0.00  0.00           O 0
ATOM   8083   CA ASP A1020     -20.513  -3.004   5.688  0.00  0.00           C 0
ATOM   8085   CB ASP A1020     -19.316  -2.349   6.395  0.00  0.00           C 0
ATOM  10633    N GLY A1341     -13.210  -6.749   4.225  0.00  0.00           N 0
ATOM   9059   CZ ARG A1144     -15.318  -4.384  -0.441  0.00  0.00           C 0
ATOM   8131   CA ARG A1026     -20.777   4.305  12.182  0.00  0.00           C 0
ATOM   8169  ND1 HIS A1029     -24.193   6.954  13.602  0.91  1.09           N 0
ATOM   8082    N ASP A1020     -20.945  -2.180   4.556  0.59  2.19           N 0
ATOM   8090    N VAL A1021     -22.090  -4.523   6.775  0.00  0.00           N 0
ATOM   8087   CG ASP A1020     -18.709  -3.262   7.466  0.00  0.00           C 0
ATOM   6406   CA SER A 814     -25.580 -13.475   8.443  0.00  0.00           C 0
ATOM   8095  CG1 VAL A1021     -24.392  -7.090   8.491  0.00  0.00           C 0
ATOM   6405    N SER A 814     -26.289 -13.107   9.678  0.00  0.00           N 0
ATOM   6408   CB SER A 814     -24.294 -14.245   8.761  0.00  0.00           C 0
ATOM   6402    O THR A 813     -27.117 -11.189   8.880  0.72  1.07           O 0
ATOM   6400    C THR A 813     -26.992 -11.978   9.819  0.00  0.00           C 0
ATOM   6220   CB SER A 792     -19.778  -5.773  19.717  0.00  0.00           C 0
ATOM   5996  CE1 HIS A 761     -16.326  -7.538  20.489  0.00  0.00           C 0
ATOM   5978  CG1 VAL A 759     -17.112  -4.778  22.552  0.00  0.00           C 0
ATOM   6217    N SER A 792     -22.156  -6.471  19.717  0.45  1.09           N 0
ATOM   6221    O SER A 792     -22.091  -3.886  20.685  0.00  0.00           O 0
ATOM   6237   CD PRO A 794     -20.052  -0.855  23.146  0.00  0.00           C 0
ATOM   5979  CG2 VAL A 759     -15.358  -3.147  23.147  0.00  0.00           C 0
ATOM   7810  CD1 ILE A 986     -12.494   1.291  22.792  0.00  0.00           C 0
ATOM   5962    O GLU A 757     -12.430  -2.238  25.329  0.65  2.14           O 0
ATOM   5611    N ASN A 716      -8.037  -4.938  23.298  0.55  1.09           N 0
ATOM   5600   OG SER A 714     -13.098  -7.600  22.674  0.27  7.50           O 0
ATOM   5619    N GLY A 717      -8.197  -6.581  20.936  0.43  2.19           N 0
ATOM   5620   CA GLY A 717      -8.491  -7.699  20.032  0.00  0.00           C 0
ATOM   6206   CG LYS A 790     -21.153 -10.855  17.362  0.00  0.00           C 0
ATOM   7759  OE1 GLN A 980     -12.419  -1.509   5.976  0.00  0.00           O 0
ATOM   5602   CA HIS A 715      -9.739  -5.735  24.931  0.00  0.00           C 0
ATOM   5599    O SER A 714     -12.548  -6.092  25.545  0.00  0.00           O 0
ATOM   8056   CG ASP A1016     -17.134   1.106  -1.526  0.00  0.00           C 0
ATOM  10611   CE MET A1337      -8.467  -1.428   1.865  0.00  0.00           C 0
ATOM   9345    N ASP A1180     -20.499  -3.356  -5.913  0.67  2.19           N 0
ATOM   9257  NH1 ARG A1168      11.704   9.078 -18.264  0.23  6.56           N 0
ATOM   3894   CA LYS A 498       7.095  10.842 -18.346  0.00  0.00           C 0
ATOM   3892   CZ ARG A 497      12.012  15.889 -15.198  0.00  0.00           C 0
ATOM   9201  CD1 LEU A1161       7.714   8.965  -8.899  0.00  0.00           C 0
ATOM   3270   CA ILE A 417      16.745  16.745  -8.596  0.00  0.00           C 0
ATOM   3292   CG GLU A 420      19.409  14.051 -13.499  0.00  0.00           C 0
ATOM   3265    O ASN A 416      17.732  16.047  -6.029  0.00  0.00           O 0
ATOM   9085    N LEU A1148      -6.942  -1.103  -4.137  0.00  0.00           N 0
ATOM   7747   CB VAL A 979     -12.114   4.637   5.330  0.00  0.00           C 0
ATOM   8030    O LEU A1013     -16.073   4.344   1.900  0.64  3.21           O 0
ATOM   8682    O LEU A1095     -10.404  10.227  -9.753  0.44  6.43           O 0
ATOM   9137   CD LYS A1154      -0.679   7.405  -6.125  0.00  0.00           C 0
ATOM   7696   CB ASP A 973      -1.405   8.271  -1.263  0.00  0.00           C 0
ATOM   7698   CG ASP A 973      -1.146   8.916  -2.640  0.00  0.00           C 0
ATOM   9287    O PHE A1172      -5.076   4.083 -11.714  0.00  0.00           O 0
ATOM   7690    O THR A 972      -5.537   9.017  -0.296  0.42  5.36           O 0
ATOM   9316  CD2 LEU A1175     -14.273   7.596  -7.017  0.00  0.00           C 0
ATOM   8675    O PRO A1094     -13.881  10.417  -8.067  0.00  0.00           O 0
ATOM   9315  CD1 LEU A1175     -13.302   5.967  -5.431  0.00  0.00           C 0
ATOM   9295   CA LYS A1173      -7.205   5.864 -11.464  0.00  0.00           C 0
ATOM   9264    O MET A1169       3.743   5.118 -14.351  0.67  2.14           O 0
ATOM   9275    N ILE A1171       0.178   4.566 -13.831  0.42  2.19           N 0
ATOM   9084   CE MET A1147     -10.959   3.525  -4.085  0.00  0.00           C 0
ATOM   8031   CG LEU A1013     -12.198   6.105   0.099  0.00  0.00           C 0
ATOM   7665    O ASP A 969      -1.206  11.830  -0.636  0.63  1.07           O 0
ATOM   7664   CB ASP A 969       0.041  14.802  -1.575  0.00  0.00           C 0
ATOM   3218   CB PRO A 410      -1.189  15.668  -6.000  0.00  0.00           C 0
ATOM   7781   NZ LYS A 983     -14.906  -2.801   7.175  0.53  2.19           N 0
ATOM   6388    O TRP A 812     -25.583 -10.883  12.968  0.35  3.21           O 0
ATOM   8093   CB VAL A1021     -23.398  -6.486   7.487  0.00  0.00           C 0
ATOM   8096  CG2 VAL A1021     -23.874  -6.826   6.066  0.00  0.00           C 0
ATOM   8097    N GLN A1022     -21.801  -4.635   9.641  0.66  1.09           N 0
ATOM   7809  CG2 ILE A 986     -15.510   2.067  22.697  0.00  0.00           C 0
ATOM  10642   CG LEU A1342     -10.709  -5.951  -0.271  0.00  0.00           C 0
ATOM  10643  CD1 LEU A1342      -9.324  -5.310  -0.366  0.00  0.00           C 0
ATOM   3235  OG1 THR A 412       4.654  12.948  -6.100  0.36  2.14           O 0
ATOM   3248  NE2 GLN A 414      10.084  12.651  -8.578  0.41  6.56           N 0
ATOM   3283    N GLY A 419      20.988  17.717  -9.548  0.00  0.00           N 0
ATOM   3284   CA GLY A 419      21.987  16.897 -10.233  0.00  0.00           C 0
ATOM   3271    C ILE A 417      17.938  17.717  -8.831  0.00  0.00           C 0
ATOM   3281    O CYS A 418      22.169  18.178  -7.686  0.00  0.00           O 0
ATOM   3279    C CYS A 418      21.129  18.263  -8.342  0.00  0.00           C 0
ATOM   3287    N GLU A 420      20.319  16.582 -12.023  0.78  1.09           N 0
ATOM   3285    C GLY A 419      21.610  16.552 -11.676  0.00  0.00           C 0
ATOM   9088   CB LEU A1148      -6.375  -2.556  -2.256  0.00  0.00           C 0
ATOM   7722   CG PRO A 976      -7.829   3.870   0.340  0.00  0.00           C 0
ATOM   7723   CD PRO A 976      -7.296   5.048   1.151  0.00  0.00           C 0
ATOM   7697    O ASP A 973      -2.881   5.922  -0.035  0.00  0.00           O 0
ATOM   9114  OE1 GLN A1151      -4.470   1.455  -0.268  0.00  0.00           O 0
ATOM   9258  NH2 ARG A1168      13.578   8.583 -17.162  0.00  0.00           N 0
ATOM   9134   CB LYS A1154       0.254   4.999  -6.149  0.00  0.00           C 0
ATOM   9102    O LEU A1150      -1.544   2.055  -6.739  0.00  0.00           O 0
ATOM   9110    O GLN A1151      -0.366   2.450  -3.589  0.00  0.00           O 0
ATOM   9107   CA GLN A1151      -2.678   2.175  -4.181  0.00  0.00           C 0
ATOM   8032  CD1 LEU A1013     -10.940   6.664   0.761  0.00  0.00           C 0
ATOM   7987   CB ASN A1009     -10.556  10.983  -1.651  0.00  0.00           C 0
ATOM   9050   CA ARG A1144     -12.057  -2.261  -4.036  0.00  0.00           C 0
ATOM   7689   CB THR A 972      -4.889  12.276  -0.814  0.00  0.00           C 0
ATOM   9139   NZ LYS A1154      -1.274   9.849  -6.013  0.00  0.00           N 0
ATOM   9172   NZ LYS A1158       1.882  11.044  -3.536  0.67  1.09           N 0
ATOM   6387   CB TRP A 812     -24.899  -8.023  12.852  0.00  0.00           C 0
ATOM   9312   CB LEU A1175     -13.083   5.599  -7.946  0.00  0.00           C 0
ATOM   9086   CA LEU A1148      -5.867  -1.457  -3.208  0.00  0.00           C 0
ATOM   9113  NE2 GLN A1151      -4.166   3.519   0.352  0.89  1.09           N 0
ATOM   9136   CG LYS A1154       0.560   6.506  -6.235  0.00  0.00           C 0
ATOM   9106    N GLN A1151      -3.196   1.452  -5.346  0.00  0.00           N 0
ATOM   9100    C LEU A1150      -2.577   1.423  -6.532  0.00  0.00           C 0
ATOM   7988    O ASN A1009     -13.193   9.267  -0.500  0.68  2.14           O 0
ATOM   9080   CB MET A1147      -9.257   0.778  -4.990  0.00  0.00           C 0
ATOM   9079    C MET A1147      -6.905  -0.007  -4.905  0.00  0.00           C 0
ATOM   9297   CB LYS A1173      -7.750   7.299 -11.344  0.00  0.00           C 0
ATOM   9303    N CYS A1174      -8.680   4.292 -10.385  0.61  2.19           N 0
ATOM   9109   CB GLN A1151      -3.672   2.042  -3.014  0.00  0.00           C 0
ATOM   9081    O MET A1147      -5.952   0.767  -4.892  0.00  0.00           O 0
ATOM   9111   CG GLN A1151      -3.274   2.905  -1.810  0.00  0.00           C 0
ATOM   7694   CA ASP A 973      -2.883   8.196  -0.816  0.00  0.00           C 0
ATOM   9101   CB LEU A1150      -4.263   1.170  -8.413  0.00  0.00           C 0
ATOM   9078   CA MET A1147      -8.088   0.266  -5.839  0.00  0.00           C 0
TER
END
@pschmidtke
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Hi,

thanks for reaching out. I'm not sure I understand the question.

The pocket atm pdb's contain only atoms contacted by the alpha spheres defining the binding site. So it is reasonable that pocket 1 is different from 155.

@areyesromero
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areyesromero commented Jan 4, 2022 •
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Hello, thanks for answering and apologize for the unclear reporting.
The output of the command, attached here in the table, indicates a number of cysteines equal to 6 and 2 respectively in cav_id 1 and 155.

While inspecting the contents of pocket1_atm.pdb and pocket155_atm.pdb I noticed a discrepancy with the number of cysteines reported: the former has three (CYS 418, CYS 9303, CYS 9109) while the latter has 1 (CYS 9307).

Just because the alpha spheres contact the residues that define the cavity, the command line output should not match the number of "CYS" in the pocket(xyz)_atm.pdb file l ?

While icontent

<style> </style>
cav_id drug_score volume nb_asph inter_chain apol_asph_proportion mean_asph_radius as_density mean_asph_solv_acc mean_loc_hyd_dens flex hydrophobicity_score volume_score charge_score polarity_score a0_apol a0_pol af_apol af_pol n_abpa ala cys asp glu phe gly his ile lys leu met asn pro gln arg ser thr val trp tyr chain_1_type chain_2_type num_res_chain_1 num_res_chain_2 lig_het_tag name_chain_1 name_chain_2
1 0.7632 3671.0549 435 0 0.3402 3.918 21.1444 0.4931 29.5676 0.8473 12.4302 4.0698 3 52 532.7227 431.571 256.2196 305.7585 64 2 6 5 8 2 6 5 4 4 4 8 6 3 3 5 6 4 1 1 3 0 0 1685 1685 NULL A A
2 0.0001 478.8718 33 0 0.2727 3.9768 5.1018 0.653 7.1111 0.0989 23.7143 3.2857 0 4 48.3051 54.91 49.695 99.3192 1 1 0 1 0 0 1 0 0 0 1 0 0 1 0 0 2 0 0 0 0 0 0 1685 1685 NULL A A
3 0.0051 111.1577 19 0 0.8421 3.5311 2.1829 0.3612 15 0.8751 54.625 5.25 2 4 19.3221 7.5666 0 0 4 0 1 0 0 0 1 0 0 1 1 3 0 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
4 0.0235 427.0899 65 0 0.2769 3.7029 5.0556 0.4187 15.2222 0.7659 20.25 4.1 3 10 75.4271 38.5947 19.2127 19.2415 9 3 3 1 1 1 0 0 2 0 1 0 1 0 1 1 0 2 0 2 1 0 0 1685 1685 NULL A A
5 0.0008 126.2931 19 0 0.1579 3.6803 2.4408 0.3651 2 0.9429 27.4444 5.1111 -1 7 12.0763 28.0571 0 0 7 0 1 0 0 0 1 2 0 0 0 2 0 0 0 0 0 1 0 2 0 0 0 1685 1685 NULL A A
6 0.0015 353.3427 32 0 0.5 3.855 4.41 0.5544 13.5 0.9489 10.6667 3.75 -2 7 43.4746 49.4199 22.9361 67.933 3 0 0 1 2 1 1 1 1 0 0 2 1 1 0 0 0 1 0 0 0 0 0 1685 1685 NULL A A
7 0.0006 120.3425 19 0 0.1579 3.6255 2.0595 0.3882 2 0.9327 32.3636 3.6364 1 3 16.9068 16.0719 0 0 6 1 1 1 0 0 0 0 2 0 1 3 0 0 0 1 0 1 0 0 0 0 0 1685 1685 NULL A A
8 0.0034 92.3583 17 0 1 3.5507 1.6301 0.384 16 0.97 59.2857 4.2857 1 1 20.5297 4.2858 0 0 2 1 1 0 0 0 0 0 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
9 0.0068 137.1209 25 0 0.68 3.6255 2.1657 0.4375 16 0.9826 65.7 4.3 1 2 28.013 11.8524 0 0 2 1 0 0 0 1 0 0 0 1 1 1 0 1 2 0 0 1 0 0 1 0 0 1685 1685 NULL A A
10 0.0027 359.7522 32 0 0.375 3.8332 4.6488 0.5209 11 0.6159 9.7778 3.5556 -1 6 49.5128 55.9593 34.4042 52.3103 5 0 0 0 1 0 0 2 1 2 0 2 0 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
11 0.0019 67.7544 16 0 1 3.5604 0.9985 0.472 15 0.7922 83 4.4286 0 0 13.2839 1.0715 0 0 1 1 0 0 0 0 0 0 0 0 1 3 0 1 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
12 0.0005 228.223 15 0 0.4 4.1974 2.7423 0.6951 5 0.5964 20.6667 4.5 -1 4 25.3602 29.0843 21.0248 22.6913 5 0 0 0 0 0 0 2 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 1685 1685 NULL A A
13 0.0002 84.5878 19 0 0.0526 3.5983 1.3694 0.4087 0 0.9194 10.625 4.75 0 6 10.8687 14.0175 0 0 7 0 1 1 0 0 0 2 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 1685 1685 NULL A A
14 0.0008 477.9245 30 0 0.2 4.1003 4.6845 0.5678 4 0.8743 -0.5455 4.8182 1 10 62.7967 47.5868 43.9609 55.9291 6 0 1 0 1 0 1 2 0 1 0 1 2 0 0 0 0 1 0 1 0 0 0 1685 1685 NULL A A
15 0.0001 367.6702 17 0 0.3529 3.86 3.8408 0.5909 5 0.0964 5.6667 3.6667 -1 2 28.9831 56.0036 26.7588 80.1904 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
16 0.0014 209.6657 40 0 0.175 3.7113 2.7252 0.3753 6 0.8118 13.1 4.1 2 7 36.2288 30.3549 0 7.0404 9 0 1 0 0 0 1 1 1 1 1 0 1 0 0 0 0 2 0 0 1 0 0 1685 1685 NULL A A
17 0.0012 81.3487 15 0 0.6 3.4933 1.9793 0.3479 8 0.822 33.1667 3.6667 -1 3 29.2206 12.8575 3.8227 0 4 0 0 0 1 1 0 0 0 0 0 1 0 0 1 0 1 1 0 0 0 0 0 1685 1685 NULL A A
18 0.0025 137.5597 19 0 0.5789 3.6943 2.1664 0.4029 10 0.9027 36.375 5.125 1 4 31.4775 17.254 0 0 5 0 1 0 0 1 0 1 0 0 0 1 1 1 0 0 0 0 0 1 1 0 0 1685 1685 NULL A A
19 0.0029 333.1495 43 0 0.2791 3.8683 3.9142 0.4335 11 0.954 -5.5385 3.6923 0 9 55.0558 43.3452 29.0673 33.435 8 1 1 2 1 1 0 2 1 0 0 0 2 0 0 0 1 0 0 0 1 0 0 1685 1685 NULL A A
20 0.0005 889.2482 105 0 0.181 3.8469 7.7455 0.5042 8.4211 0.9735 15.0435 4.1739 1 17 96.6103 139.1034 38.2269 126.2207 9 1 2 1 0 0 2 3 0 0 1 2 2 0 1 0 5 1 0 1 1 0 0 1685 1685 NULL A A
21 0.0005 268.6081 15 0 0.4 3.8772 3.6149 0.5866 4.6667 0.9507 -7.5 4.3333 0 5 49.5128 32.52 17.2021 40.3627 2 1 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1685 1685 NULL A A
22 0.0147 437.9617 37 0 0.3784 3.9623 5.1059 0.5218 12.1429 0.6756 26.4545 5.2727 5 5 76.0806 50.9339 34.4042 37.0256 5 1 2 0 0 0 0 0 0 0 1 2 3 0 1 1 0 0 0 0 0 0 0 1685 1685 NULL A A
23 0.0005 238.9887 17 0 0.3529 3.8812 3.1362 0.6276 5 0.8739 -10 3.1429 -1 4 36.2288 36.5624 19.1134 33.1252 4 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 2 0 0 1 0 0 0 1685 1685 NULL A A
24 0.0001 171.6472 19 0 0.0526 4.0601 1.6484 0.6461 0 0.7806 -18.8571 3.8571 1 6 14.4915 27.0299 26.7588 36.8566 3 0 1 0 1 0 2 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1685 1685 NULL A A
25 0.0011 546.6011 35 0 0.1714 3.9459 5.701 0.5542 3.3333 0.9358 -1.4615 4.1538 1 8 64.0043 79.3008 26.7588 80.5002 5 0 3 0 1 0 1 2 3 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
26 0.0005 178.2793 16 0 0.125 3.7559 2.0986 0.4186 1 0.8774 25.4286 4.1429 0 4 32.606 19.3748 19.1134 5.217 5 1 1 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 1685 1685 NULL A A
27 0.0015 292.1572 16 0 0.8125 3.8875 2.9306 0.6061 12 0.878 -20.8571 4.7143 -1 6 45.8899 25.8257 24.8475 31.4989 3 0 0 0 1 0 0 2 0 0 0 0 2 0 0 1 0 0 0 1 0 0 0 1685 1685 NULL A A
28 0.0004 188.9334 17 0 0.4118 3.8147 2.6974 0.5355 6 0.8339 40.375 4.25 0 3 32.606 34.4195 13.3794 34.8923 3 2 1 0 0 0 0 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 1685 1685 NULL A A
29 0.0118 344.5948 33 0 0.6364 3.8307 3.9387 0.5156 18.0952 0.8875 18.5385 3.9231 0 7 74.8729 28.9737 19.1134 24.4584 5 0 1 1 0 0 0 1 0 0 1 1 0 0 1 2 1 3 0 0 1 0 0 1685 1685 NULL A A
30 0.0019 233.9209 24 0 0.4167 3.8888 2.8223 0.4536 9 0.8885 61.3333 4.4444 -1 3 33.8136 39.644 21.0248 17.3898 4 1 0 0 0 0 0 1 0 0 1 3 0 0 0 0 0 1 0 1 1 0 0 1685 1685 NULL A A
31 0 284.6538 26 0 0.1923 3.976 2.9399 0.6957 4 0.0666 -21.2 3 -2 5 26.5678 50.4471 22.9361 76.5716 3 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1685 1685 NULL A A
32 0.0009 175.8442 17 0 0.0588 3.6678 2.654 0.3736 0 0.8442 22.1111 4.8889 2 8 37.4365 31.183 17.2021 6.9559 5 0 1 0 1 0 0 0 0 2 0 0 0 0 1 0 0 2 0 2 0 0 0 1685 1685 NULL A A
33 0.0032 237.3885 36 0 0.3333 3.7569 3.1409 0.4005 11 0.874 -5.9091 4.7273 2 10 43.4746 43.0575 11.4681 19.1288 8 1 2 2 1 0 0 1 0 0 0 0 2 0 0 0 0 1 1 0 0 0 0 1685 1685 NULL A A
34 0.0016 418.4857 25 0 0.48 3.9899 4.0055 0.6418 11 0.6337 5.1429 4.5714 3 6 66.4195 38.7496 61.163 50.6558 2 0 1 0 1 0 0 0 0 2 1 0 1 0 0 0 0 1 0 0 0 0 0 1685 1685 NULL A A
35 0.0003 228.3112 20 0 0.05 3.7555 2.9082 0.4726 0 0.3811 -10.2857 3.1429 0 5 30.1907 46.1391 5.734 26.0848 7 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 2 1 0 0 0 0 0 1685 1685 NULL A A
36 0 156.2112 15 0 0.0667 3.7775 1.6048 0.7152 0 0.7458 8 3.4 0 3 15.6992 31.0723 5.734 48.9169 2 0 0 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
37 0.0006 483.2279 30 0 0.3667 3.9307 5.0931 0.5588 8.7273 0.9451 2.6667 5.1111 3 8 84.534 51.939 57.3403 71.8897 1 0 0 1 0 0 0 1 0 0 1 0 4 0 0 0 0 1 0 1 0 0 0 1685 1685 NULL A A
38 0.0013 567.42 62 0 0.1452 3.9209 5.1443 0.501 7.5556 0.9108 15.8824 4.7059 1 10 79.7035 73.3461 45.8723 57.7808 11 0 1 1 0 0 1 3 0 1 1 1 2 0 1 2 0 0 1 0 2 0 0 1685 1685 NULL A A
39 0.0013 74.2737 16 0 0.6875 3.5574 1.2147 0.429 10 0.6719 2.1429 4.1429 -1 4 26.5678 11.8082 1.9113 0 4 0 0 1 1 0 0 1 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 1685 1685 NULL A A
40 0.0054 290.5178 16 0 0.875 3.9631 2.7771 0.6886 13 0.922 7 5.4 3 4 64.0043 10.7146 57.3404 10.4339 2 0 1 0 0 0 0 0 0 0 0 0 2 0 1 0 1 0 0 0 0 0 0 1685 1685 NULL A A
41 0.0007 444.134 19 0 0.4211 4.1253 3.8339 0.5652 7 0.5038 25.7778 4.3333 -1 6 64.0043 39.6661 63.0744 41.792 2 1 1 0 0 0 0 2 0 0 1 1 0 0 0 0 1 1 0 1 0 0 0 1685 1685 NULL A A
42 0.0001 207.796 16 0 0.125 4.1323 1.9521 0.6202 1 0.7945 -13.875 4.125 0 6 14.4915 41.9861 19.1134 22.8039 7 0 0 0 0 0 0 2 0 1 0 0 1 0 0 2 1 0 0 1 0 0 0 1685 1685 NULL A A
43 0.0012 204.4592 21 0 0.6667 3.7912 2.7736 0.4892 13 0.8754 42.1429 5 1 4 49.5128 27.0078 13.3794 31.4144 0 0 0 1 0 0 1 0 0 0 1 2 1 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
44 0.0002 326.1937 24 0 0.3333 4.0449 3.2982 0.5587 7 0.9087 9 3.7273 -2 7 55.5509 35.4688 36.3156 50.4869 4 1 0 0 2 0 1 1 0 0 0 0 1 2 0 0 1 1 0 0 1 0 0 1685 1685 NULL A A
45 0.0001 344.0664 18 0 0.1111 4.2453 3.1345 0.5933 1 0.2758 11.6667 4.6667 1 4 45.8899 40.2193 43.9609 58.1468 2 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1685 1685 NULL A A
46 0.0001 285.2818 16 0 0.0625 3.8176 3.3696 0.6281 0 0.0915 -1.1667 4 0 4 33.8136 56.8758 30.5815 62.6034 3 0 1 1 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1685 1685 NULL A A
47 0.0026 313.5713 18 0 0.5 4.0111 2.6332 0.4456 8 0.8351 18.3333 4.3333 1 4 47.0975 27.1184 32.4929 8.7794 7 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 1 0 0 1 0 0 0 1685 1685 NULL A A
48 0.0003 221.263 20 0 0.3 4.0226 2.08 0.6362 5 0.4756 22.3333 5.1667 1 4 21.7373 41.8754 9.5567 34.836 5 0 0 0 0 1 0 1 0 0 1 0 2 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
49 0.0002 321.0182 16 0 0.1875 4.1235 3.6023 0.6618 2 0.5135 11.125 3.875 0 7 38.6441 59.2843 13.3794 45.4952 5 0 0 2 0 0 0 1 0 1 0 1 0 0 0 0 1 1 0 1 0 0 0 1685 1685 NULL A A
50 0.0001 260.3652 15 0 0.2667 4.0453 2.6546 0.538 3 0.0937 -0.6667 4.6667 -1 3 21.7373 53.9491 17.2021 68.1865 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
51 0.0066 255.7209 25 0 0.72 4.0576 2.8906 0.5916 17 0.9306 35.6667 5.3333 0 4 74.8729 8.5938 43.9609 10.4621 0 0 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1685 1685 NULL A A
52 0.0003 248.4759 16 0 0.1875 4.0498 2.7862 0.7049 2 0.9102 -0.125 3.125 -1 5 43.4746 35.6016 26.7588 24.4866 3 3 0 0 1 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
53 0 295.4973 16 0 0.125 3.9502 3.2637 0.5564 1 0.8603 7.7143 5.1429 2 5 16.9068 73.7444 9.5567 70.2353 4 0 1 1 1 0 0 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 1685 1685 NULL A A
54 0.0007 310.5066 26 0 0.2308 3.9929 3.4308 0.4967 5 0.8902 -19.7778 3.5556 -3 6 60.3814 37.6338 24.8475 24.4303 6 0 0 0 3 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1685 1685 NULL A A
55 0.0001 244.4857 16 0 0.0625 4.1236 1.9082 0.5678 0 0.8871 13.4 4.4 1 4 32.606 27.0299 9.5567 35.0895 4 0 0 0 0 0 2 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 1685 1685 NULL A A
56 0.0005 319.7836 20 0 0.5 4.172 2.8771 0.6491 9 0.0995 -16.6667 4.3333 0 3 32.606 50.425 36.3156 50.4869 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
57 0.0001 162.4455 18 0 0.2222 3.9703 1.2985 0.4748 3 0.9079 17.4286 4.2857 -1 5 13.2839 33.3259 5.734 33.0689 5 0 0 0 0 0 0 2 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 1685 1685 NULL A A
58 0.0006 296.3977 17 0 0.6471 3.9485 3.3493 0.6903 10 0.6093 -2 4.25 -2 2 48.3051 45.0013 30.5815 53.9085 1 0 0 0 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1685 1685 NULL A A
59 0.0005 245.2781 16 0 0.5 4.0913 2.3854 0.6055 7 0.8813 37.1111 3.5556 -1 4 41.0594 30.2664 24.8475 22.7476 6 2 0 0 1 0 1 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 1685 1685 NULL A A
60 0.0006 168.4898 20 0 0.3 3.8747 2.02 0.5084 5 0.8188 34.125 3.625 1 4 35.0212 28.9958 24.8475 8.7794 4 0 0 0 0 0 0 0 1 0 1 2 1 0 0 0 2 1 0 0 0 0 0 1685 1685 NULL A A
61 0.0004 386.8759 26 0 0.3462 3.9856 3.7761 0.5586 4.8889 0.9395 7.625 4.625 -1 6 64.0043 44.0847 42.0496 59.2663 3 0 1 0 0 0 0 3 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
62 0.0004 195.79 21 0 0.1905 3.8637 2.0354 0.5172 3 0.8291 -20.375 4.25 2 7 41.0594 23.7491 28.6702 14.0527 5 0 1 1 1 0 0 0 0 0 0 0 2 0 0 1 0 2 0 0 0 0 0 1685 1685 NULL A A
63 0.0007 238.8573 17 0 0.4118 4.07 2.5145 0.6981 6 0.8392 10.3333 3.8333 0 4 54.3433 20.4684 42.0496 15.7635 4 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
64 0.0001 244.5954 26 0 0.2692 3.9957 2.1426 0.552 6 0.79 21.8571 4.1429 1 4 20.5297 49.5969 15.2908 47.2905 5 0 0 1 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 2 0 0 1685 1685 NULL A A
65 0.0004 176.008 16 0 0.375 3.9081 1.5432 0.4754 5 0.6319 -11.3333 3.6667 -3 4 31.3983 21.4292 30.5815 12.1729 4 0 0 0 1 0 0 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1685 1685 NULL A A
66 0.0029 194.9283 22 0 0.6364 3.9237 1.9914 0.5314 13 0.9196 25.1 4.4 2 6 33.8136 31.5592 11.4681 14.1372 5 1 0 1 0 0 0 1 0 1 0 2 2 0 1 0 0 1 0 0 0 0 0 1685 1685 NULL A A
67 0.0018 405.9557 29 0 0.5172 3.8952 4.0394 0.4646 13.2 0.8438 42.1 5.1 0 4 78.2382 38.8381 23.5318 50.6277 2 0 1 0 0 0 0 2 0 0 1 1 1 2 1 0 0 0 0 0 1 0 0 1685 1685 NULL A A
68 0.0065 149.0275 26 0 0.7308 3.6997 2.247 0.4601 18 0.7652 45.6 5.4 0 2 55.9467 16.3153 13.3794 10.5747 4 0 1 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1685 1685 NULL A A
69 0.0003 177.8591 17 0 0.6471 4.0275 1.8362 0.6224 10 0.9353 31 4.5 1 2 25.3602 35.8893 19.1134 38.7364 3 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
70 0.0001 464.5909 22 0 0.1364 4.1165 4.1196 0.6277 2 0.0443 29.2 3.8 1 2 51.928 64.4424 30.5815 66.1096 3 2 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
71 0.0005 351.7127 20 0 0.4 4.0903 3.4186 0.5357 7 0.906 15.125 4.5 0 5 49.5128 49.7961 42.0496 64.793 2 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 0 1 0 1 0 0 0 1685 1685 NULL A A
72 0 202.3243 19 0 0 3.9826 1.8983 0.6178 0 0.7318 -7.2 3.6 -1 4 12.0763 51.8505 13.3794 52.423 3 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
73 0.0006 240.1848 15 0 0.5333 4.3564 1.6655 0.7371 7 0.0434 10.25 4 0 2 32.606 24.6436 32.4929 26.0848 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1685 1685 NULL A A
74 0.0048 307.9408 22 0 0.8182 3.9801 3.0424 0.4834 17 0.5275 52.1 4.5 1 3 55.5509 37.5453 17.2021 22.6068 5 1 1 0 0 0 0 1 0 1 0 3 0 1 0 0 0 0 0 0 2 0 0 1685 1685 NULL A A
75 0.0007 202.9896 20 0 0.45 3.7253 2.6495 0.3805 8 0.858 -7 5 2 5 33.8136 48.7468 7.6454 24.5711 5 0 1 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 1685 1685 NULL A A
76 0.0001 312.4764 18 0 0.1667 4.1062 3.0997 0.5484 2 0.1819 19.5 3.75 1 2 44.6822 47.6753 45.8723 56.1544 3 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
77 0.0016 305.3666 17 0 0.7059 3.8768 3.4911 0.5728 11 0.9104 47 5.5 1 4 49.5128 51.6513 24.8475 52.3667 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1685 1685 NULL A A
78 0.1818 372.8871 59 0 0.5763 3.697 4.3907 0.4233 31.7059 0.8964 25.0714 3.9286 -2 6 78.8125 60.3115 17.2021 17.3898 9 0 0 0 1 1 2 1 0 0 2 2 0 0 1 2 1 1 0 0 0 0 0 1685 1685 NULL A A
79 0.0076 510.1106 54 0 0.1481 3.8889 6.6646 0.4243 6 0.8806 -0.3571 3.7857 0 11 131.6315 64.4646 45.8723 40.2501 12 1 0 1 2 0 2 1 0 1 0 1 2 0 0 0 1 1 0 0 1 0 0 1685 1685 NULL A A
80 0.0004 212.8885 18 0 0.3889 3.7184 3.1159 0.3912 6 0.9126 13.7778 4.2222 1 5 49.5128 43.9298 22.9361 38.2577 4 0 1 1 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1685 1685 NULL A A
81 0.0001 353.0358 18 0 0.1111 4.1446 3.0025 0.7012 1 0.8112 28.5 4.375 2 4 41.0594 50.4913 28.6702 59.3226 1 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 0 1 0 0 0 0 1685 1685 NULL A A
82 0.0001 316.5487 16 0 0.4375 4.1026 4.0955 0.5672 6 0.0996 23.6 5 -1 3 49.5128 65.8458 30.5815 69.9818 1 0 1 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
83 0.0001 261.236 18 0 0.2222 3.8899 2.3074 0.6326 3 0.9646 28.4286 4.2857 -1 3 44.6822 30.2221 36.3156 36.7721 2 0 0 0 1 0 1 0 0 0 0 1 0 0 2 1 0 1 0 0 0 0 0 1685 1685 NULL A A
84 0.0003 108.3966 15 0 0.5333 3.6889 1.3892 0.5204 7 0.4304 -0.25 3.25 1 2 24.1526 29.2613 9.5567 22.8321 4 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
85 0.0001 222.0344 16 0 0.375 4.0508 2.2376 0.6888 5 0.5267 -9 4.5 1 3 41.0594 32.3429 21.0248 41.9046 2 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
86 0.0003 460.3448 31 0 0.2581 3.9867 4.242 0.5812 7 0.8834 39.7857 4.4286 0 7 65.2119 62.3217 34.4042 64.5396 7 0 0 2 0 0 1 1 1 1 0 2 0 1 1 0 0 0 0 2 2 0 0 1685 1685 NULL A A
87 0.0085 359.6924 28 0 0.5714 3.7333 3.7229 0.4855 12.75 0.9316 -20.25 3.5 -1 6 79.7035 33.2374 63.0744 31.3017 4 0 0 0 1 0 0 1 0 0 0 0 1 0 0 2 0 3 0 0 0 0 0 1685 1685 NULL A A
88 0 325.7156 17 0 0.0588 4.105 3.6161 0.4927 0 0.8723 27.1111 4.5556 -1 5 27.7754 78.7034 22.9361 92.3915 2 0 1 0 1 0 1 1 1 0 0 3 0 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
89 0.0006 426.0791 27 0 0.4815 4.0995 3.8202 0.623 12 0.4638 22.1429 4.7143 -1 4 67.8647 48.3263 59.4502 64.4551 3 0 0 0 0 0 1 2 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 1685 1685 NULL A A
90 0.4521 600.726 72 0 0.5556 3.8151 5.1722 0.4877 35.1 0.7563 14.5714 4.2857 3 9 137.6696 35.8007 61.163 35.1458 7 0 1 1 1 0 1 0 1 0 1 3 3 0 0 0 2 0 0 0 0 0 0 1685 1685 NULL A A
91 0.0001 257.5486 15 0 0.3333 4.08 2.3727 0.5192 4 0.9344 20.3333 4.6667 0 4 28.9831 51.5186 13.3794 52.2822 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1685 1685 NULL A A
92 0.004 351.7891 19 0 0.7368 4.1122 2.921 0.5982 13 0.7335 25 4.2857 1 4 51.928 42.4065 49.695 24.7119 4 1 1 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
93 0.0001 261.226 15 0 0.2667 4.0766 2.8005 0.4971 3 0.071 -12.75 4.5 1 3 48.3051 41.8533 49.695 57.4991 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
94 0.0004 340.8353 29 0 0.4138 3.7209 4.0318 0.4799 10.3333 0.7662 7.5 4.1667 2 5 59.1738 65.1506 32.4929 77.4165 4 0 1 0 0 0 2 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1685 1685 NULL A A
95 0.0009 350.583 33 0 0.4848 3.9015 2.9243 0.5321 15 0.7243 24 3.5556 -1 4 57.1544 43.4116 38.3262 49.1985 2 1 0 2 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1685 1685 NULL A A
96 0.0001 238.034 21 0 0.0476 4.0386 1.8114 0.5437 0 0.9047 -5 4 2 5 22.9449 48.7468 21.0248 42.1299 5 1 0 0 0 0 2 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
97 0.004 230.5176 17 0 1 4.2052 1.77 0.6521 16 0.7829 49.7778 4.1111 0 3 59.1738 9.6874 40.1382 3.5061 2 2 0 0 0 0 0 1 0 1 0 0 0 0 3 0 0 1 0 0 1 0 0 1685 1685 NULL A A
98 0.0008 619.6862 45 0 0.4444 4.0373 5.0893 0.5119 15.9 0.8872 9.1333 4.2667 2 8 77.2882 85.1321 38.2269 104.6489 7 1 0 2 1 0 1 0 0 1 1 1 2 0 1 3 0 0 1 0 0 0 0 1685 1685 NULL A A
99 0.0006 281.3311 18 0 0.5 3.9318 2.6162 0.4802 8 0.4155 21.5 4.6667 1 5 49.5128 39.821 34.4042 40.1093 2 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 1685 1685 NULL A A
100 0.0001 170.5228 15 0 0.1333 3.7199 2.3737 0.3759 1 0.3934 -3.7143 3.8571 -1 6 32.606 51.4743 17.2021 36.5187 5 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1685 1685 NULL A A
101 0.0023 381.3856 23 0 0.5652 3.9698 3.8845 0.5579 12 0.6536 39.875 4.75 1 5 74.873 49.3535 45.8723 38.2577 4 0 0 1 0 0 2 0 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 1685 1685 NULL A A
102 0.0048 748.1502 62 0 0.4677 3.9559 6.0113 0.4674 14.4138 0.7123 30.8571 4.7857 2 9 113.5171 82.8343 78.3651 66.1941 8 1 0 0 1 0 1 0 0 0 0 3 3 0 1 0 1 1 0 2 0 0 0 1685 1685 NULL A A
103 0.0033 369.0833 48 0 0.3333 3.7664 3.4418 0.4707 15 0.6983 11.5556 5.2222 1 8 51.928 71.2695 22.9361 38.483 9 0 1 1 0 0 0 2 0 1 0 1 1 0 0 0 0 0 0 2 0 0 0 1685 1685 NULL A A
104 0.0002 340.4015 19 0 0.1579 4.0893 2.9505 0.5419 2 0.7177 -27.8571 4.2857 1 6 57.9662 43.0797 51.6063 31.4144 5 0 1 0 2 0 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 1685 1685 NULL A A
105 0.0074 1097.9128 110 0 0.3727 3.954 8.2334 0.504 21.122 0.6429 19.1429 4.0952 -1 12 136.462 149.7737 76.4538 146.8069 9 1 2 0 3 2 0 1 0 0 1 2 1 1 0 1 2 2 1 0 1 0 0 1685 1685 NULL A A
106 0.0005 301.4973 20 0 0.4 3.8814 2.4659 0.5314 7 0.1042 51 4 0 1 64.8751 25.892 40.8332 34.8642 3 1 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
107 0.0006 239.7123 23 0 0.2609 4.0787 2.1683 0.5086 5 0.6799 28.4444 4.6667 1 6 60.3814 24.8648 26.7588 10.4902 6 0 1 0 1 0 0 0 0 0 2 1 1 0 0 0 2 0 0 1 0 0 0 1685 1685 NULL A A
108 0.0011 158.64 19 0 0.5789 3.9492 1.6778 0.463 10 0.5364 34.1667 4.1667 1 4 54.3433 19.4854 30.5815 13.9682 3 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 1 2 0 0 0 0 0 1685 1685 NULL A A
109 0.0005 297.6424 26 0 0.3462 3.9935 2.665 0.5352 8 0.0363 26.25 4.25 1 2 57.9662 40.9589 45.8723 40.1093 3 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
110 0.0002 299.2715 16 0 0.5625 3.9002 1.9893 0.5636 8 0.8212 -7.5 4.1667 -2 5 43.4746 39.7768 22.9361 45.2699 2 0 0 0 1 0 0 2 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1685 1685 NULL A A
111 0.0003 443.2159 25 0 0.24 4.1887 3.5535 0.4696 5 0.5371 17.6364 4.3636 0 6 67.6272 56.0699 36.3156 52.4793 3 1 0 0 1 0 1 0 0 0 0 2 1 0 0 2 0 1 0 2 0 0 0 1685 1685 NULL A A
112 0.0015 232.4351 24 0 0.7083 4.2864 1.8315 0.6241 16 0.8725 8.75 4.875 2 6 35.0212 47.7196 22.9361 33.4068 5 0 1 1 0 0 0 1 0 0 0 0 2 0 1 0 0 1 0 0 1 0 0 1685 1685 NULL A A
113 0.0007 510.3296 49 0 0.0816 3.7645 4.6076 0.4355 1 0.5749 20 3.8571 -1 11 76.0806 86.1372 28.6702 50.6277 10 1 0 2 0 0 0 2 0 1 0 1 0 0 0 0 2 2 1 1 1 0 0 1685 1685 NULL A A
114 0.0001 322.2014 15 0 0 3.9675 3.2625 0.6188 0 0.077 13.1429 4.1429 1 3 50.7204 65.8016 45.8723 57.7807 5 0 0 0 0 0 0 0 1 0 0 1 1 0 0 2 0 1 1 0 0 0 0 1685 1685 NULL A A
115 0.0002 312.2931 16 0 0.375 4.2902 2.2265 0.5959 5 0.8633 0.375 3.625 3 4 57.9662 34.4195 32.4929 29.7035 4 3 0 0 0 0 0 0 0 0 0 0 3 0 0 1 1 0 0 0 0 0 0 1685 1685 NULL A A
116 0.0556 530.0347 79 0 0.4177 3.8401 4.7241 0.4547 27.3333 0.6873 14.625 4.1875 -1 10 106.2713 76.2728 28.6702 36.5468 8 0 1 1 1 0 0 2 1 0 1 1 1 0 2 1 2 1 0 1 0 0 0 1685 1685 NULL A A
117 0.6059 471.0865 66 0 0.7273 4.0402 4.4504 0.4783 43.5833 0.9174 36.6154 4.9231 -1 7 121.9704 45.4217 34.4042 26.3101 6 0 0 0 1 0 1 2 0 0 2 4 2 0 0 0 0 0 0 1 0 0 0 1685 1685 NULL A A
118 0.0028 312.0282 26 0 0.6538 3.8799 3.5567 0.4671 16 0.03 16.8 4.4 0 2 91.7797 36.4296 49.695 50.4306 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 0 1 0 0 0 1685 1685 NULL A A
119 0.0001 418.0883 31 0 0.2581 4.0542 2.8936 0.5544 7 0.121 27.6 4.6 0 3 41.0594 76.3834 49.695 80.2749 5 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 1685 1685 NULL A A
120 0.0001 156.3421 16 0 0.1875 4.0784 1.4112 0.6132 2 0.1722 59 5.25 -1 2 33.8136 46.1834 24.8475 31.3017 3 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 1685 1685 NULL A A
121 0 402.4518 17 0 0.2941 4.0565 2.45 0.4941 4 0.7734 14.3333 4.4444 -2 7 30.1907 75.3562 21.0248 80.2467 4 1 0 0 2 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1685 1685 NULL A A
122 0.0013 748.8306 45 0 0.1778 3.9871 5.5454 0.5166 5.75 0.5182 7.3571 3.6429 1 8 99.0255 102.6074 57.3404 80.5565 10 1 1 2 0 0 1 1 0 1 0 1 0 0 0 2 1 1 0 0 2 0 0 1685 1685 NULL A A
123 0.0002 278.7198 29 0 0.2759 3.8198 2.5243 0.5259 7 0.8628 4 3.3333 -2 5 77.2882 35.4024 21.0248 59.1536 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1685 1685 NULL A A
124 0.0158 456.077 25 0 0.8 4.3124 3.6756 0.6153 19 0.0332 1.4286 3.7143 2 4 114.7247 23.727 108.9467 15.7072 4 0 0 0 0 0 0 0 1 0 0 0 2 0 0 1 0 2 0 0 1 0 0 1685 1685 NULL A A
125 0.0016 341.5566 18 0 0.6667 3.9462 3.1667 0.6195 11 0.5025 15 4.375 1 6 85.7416 39.7104 53.5177 26.0848 5 0 0 0 1 0 0 0 0 0 0 0 2 0 2 0 1 2 0 0 0 0 0 1685 1685 NULL A A
126 0 317.236 15 0 0.2 4.1482 3.0992 0.4295 2 0.5685 -13 4.6 0 4 44.6822 78.814 45.8723 108.4929 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1685 1685 NULL A A
127 0.0279 482.8266 56 0 0.4821 3.8804 4.3297 0.4584 24.5185 0.509 11.8333 2.8333 -1 6 112.8234 58.058 43.3402 62.8006 3 0 0 2 1 2 1 0 2 0 1 0 0 0 0 0 2 0 0 0 1 0 0 1685 1685 NULL A A
128 0.0047 726.9294 67 0 0.403 4.0599 5.5092 0.4827 22.5926 0.4446 4.5385 4.3077 0 9 112.3094 96.2008 74.5425 121.0882 8 0 2 0 2 0 0 1 0 0 0 2 1 0 1 1 2 1 0 0 0 0 0 1685 1685 NULL A A
129 0.0016 336.0932 22 0 0.7727 4.5136 2.1407 0.3908 16 0.1997 18.3333 3.8333 0 3 84.534 22.5449 87.9219 36.5468 1 0 0 0 0 0 1 0 1 0 0 0 0 1 0 1 1 0 1 0 0 0 0 1685 1685 NULL A A
130 0.0227 932.8377 102 0 0.4216 3.8773 6.5811 0.473 32.2326 0.6687 5.8571 3.9048 -3 11 121.9704 150.5354 63.0744 127.5373 14 1 1 1 2 0 1 3 1 0 1 1 1 0 2 3 0 2 0 0 1 0 0 1685 1685 NULL A A
131 0.0003 252.4989 15 0 0.6 4.1387 2.1398 0.6373 8 0.5926 18.4444 3.7778 1 5 72.4577 36.4296 51.6063 36.5187 1 1 0 0 0 0 1 0 1 0 1 0 1 0 0 1 1 1 1 0 0 0 0 1685 1685 NULL A A
132 0.0865 535.6492 47 0 0.8085 3.9324 4.9741 0.4526 30.2105 0.5085 18.3077 4 -3 5 125.0191 64.3097 59.4502 66.0814 6 0 0 0 2 1 0 1 0 0 2 2 0 0 0 3 0 1 0 1 0 0 0 1685 1685 NULL A A
133 0.034 374.803 26 0 1 4.1841 3.2946 0.5753 24.7692 0.4587 53.25 4.75 0 3 112.3094 26.7865 80.2765 20.8678 1 0 0 0 0 0 0 1 0 0 0 3 1 0 1 0 0 1 0 0 1 0 0 1685 1685 NULL A A
134 0.0337 544.5785 54 0 0.6852 4.151 3.7393 0.5058 35.6216 0.2367 10.125 4.125 -2 5 115.9323 48.614 108.9467 70.1508 1 1 1 0 2 0 0 1 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 1685 1685 NULL A A
135 0.0021 529.7017 54 0 0.2593 3.8723 5.1486 0.5057 13 0.8239 6.8571 4.0714 2 9 95.4026 104.21 36.3156 73.7977 7 0 0 3 1 1 0 1 0 2 1 2 2 0 0 1 0 0 0 0 0 0 0 1685 1685 NULL A A
136 0.0013 382.1836 41 0 0.1463 3.9883 3.4546 0.4624 5 0.6294 -2.8462 4.4615 -1 10 54.3433 100.2874 21.0248 43.6436 8 0 0 1 1 0 0 3 0 0 1 1 3 0 0 1 1 0 0 1 0 0 0 1685 1685 NULL A A
137 0.002 257.4076 18 0 0.7778 4.0162 2.6751 0.4641 13 0.3728 22.4286 4 2 3 95.4026 34.685 42.0496 29.6754 6 0 1 0 0 0 0 0 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 1685 1685 NULL A A
138 0.0005 414.1995 23 0 0.5217 4.5538 2.9286 0.5058 11 0.5301 26.875 3.625 2 3 97.8179 39.7989 76.4538 61.0334 1 2 1 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1685 1685 NULL A A
139 0 555.3283 30 0 0.0667 4.1741 3.3442 0.5145 1 0.142 2.4444 4.1111 3 9 41.0594 112.0514 30.5815 151.7422 5 0 1 1 0 0 0 0 0 1 0 0 1 0 0 0 2 2 0 1 0 0 0 1685 1685 NULL A A
140 0.0086 569.2175 36 0 0.4167 4.0484 4.9261 0.5449 13.8667 0.7015 32.5385 3.7692 1 6 141.2925 52.8998 93.6559 28.0772 9 1 0 1 0 0 1 0 1 1 1 2 0 0 0 1 0 2 0 1 1 0 0 1685 1685 NULL A A
141 0.0005 939.5925 83 0 0.1687 4.0133 6.6231 0.4875 7.2857 0.8887 13.6154 4 -3 15 128.3252 152.8111 59.2517 127.4246 13 0 2 3 2 2 1 4 2 1 1 3 0 1 0 1 0 1 1 0 1 0 0 1685 1685 NULL A A
142 0.0022 336.3071 20 0 0.85 4.1651 2.8041 0.4908 16 0.7042 26.7778 3.3333 1 5 110.2699 28.9294 77.1487 26.2256 0 1 0 1 0 1 1 0 0 1 0 1 0 0 0 0 1 1 0 0 1 0 0 1685 1685 NULL A A
143 0.002 690.571 64 0 0.2969 4.1457 5.0749 0.5134 17.0526 0.2881 15 3.9231 0 8 84.534 134.5963 53.5177 99.3474 8 1 2 1 1 1 1 1 0 0 0 1 0 0 0 0 1 1 0 0 2 0 0 1685 1685 NULL A A
144 0.002 1084.2267 64 0 0.6875 4.0446 9.1574 0.4807 16.7273 0.4583 48.8 4.8667 0 6 216.1655 130.8858 141.4395 142.0405 5 1 1 0 0 0 1 2 0 0 1 4 1 0 3 0 0 1 0 0 0 0 0 1685 1685 NULL A A
145 0 710.3624 33 0 0.2727 3.9994 5.8099 0.48 5.3333 0.3732 -6.4444 4.5556 3 8 111.5567 116.9347 79.4572 135.0283 3 0 2 2 0 0 2 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
146 0.0007 670.91 45 0 0.3556 4.005 5.0484 0.5456 13.5 0.1209 3.9 3.5 0 5 137.6696 81.7628 105.124 80.2467 3 0 0 0 0 0 0 1 0 1 0 1 0 0 1 3 2 1 0 0 0 0 0 1685 1685 NULL A A
147 0.0209 1454.3668 151 0 0.4834 3.9545 9.8141 0.5065 30.1918 0.8705 18.2286 3.9429 -1 18 242.3172 181.7312 122.3261 171.6596 16 3 1 3 4 1 1 2 0 2 1 2 2 2 4 2 3 0 0 0 2 0 0 1685 1685 NULL A A
148 0.0001 498.1738 34 0 0.1471 3.9653 4.491 0.5357 3.2 0.4436 48.4444 4.7778 1 3 107.4789 89.263 84.0992 82.0702 5 1 1 0 1 0 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 1685 1685 NULL A A
149 0.0013 605.7533 43 0 0.3256 4.197 4.9969 0.4894 11.4286 0.4646 -1.7778 4.2222 3 7 113.5171 100.4866 66.8971 91.1875 8 0 1 1 0 0 2 0 1 0 0 1 2 0 0 0 1 0 0 0 0 0 0 1685 1685 NULL A A
150 0.1612 776.1343 43 0 0.7674 4.1029 5.7339 0.4948 28.7879 0.5573 36 4.1875 -1 6 185.9547 64.3761 109.1452 53.9085 7 0 1 0 1 0 0 1 1 0 1 0 0 2 1 1 1 1 0 1 4 0 0 1685 1685 NULL A A
151 0.13 873.2517 61 0 0.6557 3.8485 6.1938 0.437 30 0.612 12.2143 3.7857 2 7 181.1442 97.3829 99.3899 77.0785 6 0 1 1 0 0 0 1 2 0 0 2 2 0 0 1 2 0 0 0 2 0 0 1685 1685 NULL A A
152 0.0003 1736.2378 109 0 0.3211 4.0262 9.2887 0.5313 15.5429 0.515 19 4.1481 4 15 324.852 166.6515 227.4501 188.5425 13 2 1 1 1 0 1 1 2 0 1 4 5 0 2 1 4 0 0 1 0 0 0 1685 1685 NULL A A
153 0.0004 861.9213 52 0 0.2115 4.0237 6.5105 0.4782 5.8182 0.5818 3.5 4.0625 -1 11 156.9917 133.724 108.9467 110.0911 9 1 2 1 2 0 0 2 0 0 0 3 1 0 0 1 1 2 0 0 0 0 0 1685 1685 NULL A A
154 0 1701.391 104 0 0.1538 4.1289 8.1666 0.481 5.5 0.3321 3.1429 3.7619 2 13 198.051 212.4273 175.8437 297.7958 8 1 1 1 0 0 4 1 2 1 1 0 1 1 0 3 1 2 1 0 0 0 0 1685 1685 NULL A A
155 0.9381 1112.6274 96 0 0.6667 4.0597 7.3714 0.5132 40.0938 0.5434 40.1667 4.7778 3 7 277.8336 64.7965 183.5884 56.2107 12 3 2 1 0 0 1 1 0 0 2 1 2 2 3 0 0 0 0 0 0 0 0 1685 1685 NULL A A
156 0.0692 1186.4443 128 0 0.5312 3.8414 8.0995 0.4317 29.6176 0.6339 38.6667 3.9524 -2 9 305.114 157.1633 128.2587 120.3279 8 2 0 1 3 1 1 0 0 1 2 1 0 2 1 0 1 1 1 0 3 0 0 1685 1685 NULL A A
157 0.0032 1725.693 136 0 0.4338 4.1438 8.8883 0.5098 22.7797 0.5257 16.5357 3.8571 4 16 368.3268 175.6879 223.6274 148.5459 15 1 1 0 1 0 2 0 2 2 3 0 2 0 3 3 4 3 0 1 0 0 0 1685 1685 NULL A A
158 0.099 2624.7031 243 0 0.5021 3.9184 10.4022 0.465 38.9836 0.5652 19.9744 4.2051 3 25 499.2255 268.807 248.4749 195.8646 31 2 3 1 3 1 0 3 1 4 2 3 2 2 0 1 3 3 1 2 2 0 0 1685 1685 NULL A A

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ah indeed it should then - sorry, lost track of this issue :(

@pschmidtke pschmidtke added the bug label Nov 23, 2023
@pschmidtke pschmidtke self-assigned this Nov 23, 2023
@pschmidtke pschmidtke added this to the Release 4.2 milestone Nov 23, 2023
@pschmidtke pschmidtke modified the milestones: Release 4.2, Release 5.0 Apr 5, 2024
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