Getting the Right Output Means no Artefacts in Calculating Stuff 89 1LYS BB 1 8.338 7.029 7.548 1LYS SC1 2 8.617 7.079 7.410 1LYS SC2 3 8.608 7.381 7.373 1LYS SCD 4 8.609 7.379 7.362 2MET BB 5 8.045 6.894 7.545 2MET SC1 6 8.129 6.492 7.484 3LYS BB 7 7.895 7.089 7.741 3LYS SC1 8 7.952 6.910 7.992 3LYS SC2 9 7.818 6.642 7.910 3LYS SCD 10 7.813 6.636 7.918 4ALA BB 11 7.965 7.354 7.574 5VAL BB 12 7.770 7.234 7.337 5VAL SC1 13 7.918 7.094 7.169 6MET BB 14 7.501 7.194 7.500 6MET SC1 15 7.541 6.810 7.655 7ILE BB 16 7.442 7.490 7.577 7ILE SC1 17 7.544 7.535 7.844 8GLY BB 18 7.424 7.591 7.286 9ALA BB 19 7.210 7.377 7.200 10CYS BB 20 6.998 7.530 7.408 10CYS SC1 21 6.949 7.454 7.670 11PHE BB 22 6.999 7.825 7.298 11PHE SC1 23 7.292 7.929 7.415 11PHE SC2 24 7.412 7.956 7.209 11PHE SC3 25 7.567 7.945 7.369 12LEU BB 26 6.887 7.761 7.011 12LEU SC1 27 7.185 7.682 6.852 13ILE BB 28 6.613 7.651 7.103 13ILE SC1 29 6.629 7.363 7.114 14ASP BB 30 6.522 7.919 7.242 14ASP SC1 31 6.594 8.057 7.482 14ASP SCD 32 6.593 8.068 7.478 15PHE BB 33 6.522 8.107 6.988 15PHE SC1 34 6.841 8.141 6.920 15PHE SC2 35 6.829 8.014 6.715 15PHE SC3 36 7.046 8.033 6.764 16MET BB 37 6.299 7.953 6.820 16MET SC1 38 6.519 7.652 6.633 17PHE BB 39 6.048 7.987 7.012 17PHE SC1 40 6.135 7.780 7.254 17PHE SC2 41 6.183 7.948 7.420 17PHE SC3 42 6.278 7.759 7.493 18PHE BB 43 6.033 8.302 7.002 18PHE SC1 44 6.298 8.385 7.178 18PHE SC2 45 6.424 8.479 6.996 18PHE SC3 46 6.569 8.447 7.162 19GLU BB 47 5.978 8.330 6.691 19GLU SC1 48 6.304 8.197 6.482 19GLU SCD 49 6.299 8.207 6.480 20SER BB 50 5.702 8.179 6.680 20SER SC1 51 5.749 7.952 6.769 20SER SCD 52 5.757 7.941 6.770 20SER SCD 53 5.741 7.963 6.768 21THR BB 54 5.546 8.375 6.867 21THR SC1 55 5.648 8.311 7.104 21THR SCD 56 5.658 8.310 7.114 21THR SCD 57 5.638 8.312 7.094 22GLY BB 58 5.582 8.629 6.694 23SER BB 59 5.432 8.520 6.452 23SER SC1 60 5.546 8.314 6.376 23SER SCD 61 5.553 8.303 6.383 23SER SCD 62 5.540 8.325 6.370 24GLN BB 63 5.154 8.481 6.595 24GLN SC1 64 5.063 8.165 6.823 24GLN SCD 65 5.067 8.178 6.818 24GLN SCD 66 5.060 8.153 6.828 25GLU BB 67 5.100 8.784 6.673 25GLU SC1 68 5.380 8.912 6.941 25GLU SCD 69 5.375 8.916 6.950 26GLN BB 70 5.088 8.905 6.380 26GLN SC1 71 5.408 8.986 6.157 26GLN SCD 72 5.414 8.995 6.165 26GLN SCD 73 5.402 8.976 6.148 27LYS BB 74 4.839 8.746 6.279 27LYS SC1 75 4.975 8.507 6.120 27LYS SC2 76 4.916 8.594 5.836 27LYS SCD 77 4.921 8.584 5.838 28SER BB 78 4.640 8.863 6.489 28SER SC1 79 4.720 8.795 6.720 28SER SCD 80 4.715 8.799 6.707 28SER SCD 81 4.725 8.790 6.732 29GLY BB 82 4.668 9.160 6.409 30VAL BB 83 4.562 9.123 6.129 30VAL SC1 84 4.748 9.050 5.958 31TRP BB 85 4.284 9.005 6.248 31TRP SC1 86 4.379 8.691 6.252 31TRP SC2 87 4.468 8.576 6.097 31TRP SC3 88 4.466 8.465 6.433 31TRP SC4 89 4.570 8.343 6.278 10.00000 10.00000 10.00000