Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 0.436 4.179 4.822 1LYS SC1 2 0.569 4.461 4.777 1LYS SC2 3 0.636 4.444 4.480 1LYS SCD 4 0.638 4.440 4.470 2MET BB 5 0.436 3.890 4.966 2MET SC1 6 0.454 3.987 5.370 3LYS BB 7 0.265 3.727 4.758 3LYS SC1 8 -0.004 3.780 4.909 3LYS SC2 9 0.055 3.657 5.189 3LYS SCD 10 0.047 3.664 5.188 4ALA BB 11 0.455 3.795 4.508 5VAL BB 12 0.686 3.614 4.657 5VAL SC1 13 0.834 3.771 4.808 6MET BB 14 0.529 3.340 4.690 6MET SC1 15 0.335 3.385 5.056 7ILE BB 16 0.484 3.269 4.390 7ILE SC1 17 0.219 3.360 4.315 8GLY BB 18 0.783 3.259 4.319 9ALA BB 19 0.855 3.055 4.546 10CYS BB 20 0.670 2.831 4.381 10CYS SC1 21 0.404 2.774 4.432 11PHE BB 22 0.808 2.827 4.098 11PHE SC1 23 0.692 3.112 3.974 11PHE SC2 24 0.897 3.239 3.963 11PHE SC3 25 0.731 3.388 3.953 12LEU BB 26 1.091 2.727 4.193 12LEU SC1 27 1.231 3.034 4.278 13ILE BB 28 0.998 2.453 4.302 13ILE SC1 29 0.958 2.477 4.588 14ASP0 BB 30 0.888 2.354 4.029 14ASP0 SC1 31 0.594 2.443 4.094 15PHE BB 32 1.160 2.354 3.863 15PHE SC1 33 1.221 2.674 3.826 15PHE SC2 34 1.413 2.673 3.973 15PHE SC3 35 1.359 2.888 3.942 16MET BB 36 1.320 2.141 4.041 16MET SC1 37 1.469 2.377 4.351 17PHE BB 38 1.141 1.884 3.995 17PHE SC1 39 0.877 1.967 4.175 17PHE SC2 40 0.726 2.005 3.990 17PHE SC3 41 0.632 2.102 4.168 18PHE BB 42 1.183 1.859 3.684 18PHE SC1 43 1.006 2.115 3.575 18PHE SC2 44 1.193 2.245 3.495 18PHE SC3 45 1.020 2.385 3.506 19GLU BB 46 1.496 1.815 3.688 19GLU SC1 47 1.680 2.152 3.830 19GLU SCD 48 1.686 2.146 3.837 20SER BB 49 1.502 1.544 3.848 20SER SC1 50 1.389 1.595 4.064 20SER SCD 51 1.376 1.591 4.069 20SER SCD 52 1.401 1.599 4.059 21THR BB 53 1.341 1.376 3.640 21THR SC1 54 1.095 1.471 3.677 21THR SCD 55 1.108 1.467 3.675 21THR SCD 56 1.082 1.475 3.680 22GLY BB 57 1.536 1.411 3.403 23SER BB 58 1.771 1.273 3.540 23SER SC1 59 1.822 1.396 3.749 23SER SCD 60 1.814 1.384 3.746 23SER SCD 61 1.830 1.407 3.751 24GLN BB 62 1.635 0.991 3.574 24GLN SC1 63 1.379 0.901 3.869 24GLN SCD 64 1.388 0.896 3.878 24GLN SCD 65 1.371 0.907 3.859 25GLU BB 66 1.589 0.926 3.267 25GLU SC1 67 1.325 1.192 3.104 25GLU SCD 68 1.328 1.183 3.098 26GLN BB 69 1.892 0.921 3.175 26GLN SC1 70 2.112 1.246 3.107 26GLN SCD 71 2.111 1.251 3.094 26GLN SCD 72 2.112 1.241 3.120 27LYS BB 73 1.986 0.680 3.351 27LYS SC1 74 2.115 0.829 3.600 27LYS SC2 75 2.408 0.778 3.544 27LYS SCD 76 2.400 0.784 3.548 28SER BB 77 1.795 0.470 3.221 28SER SC1 78 1.556 0.544 3.264 28SER SCD 79 1.555 0.549 3.251 28SER SCD 80 1.558 0.538 3.276 29GLY BB 81 1.903 0.492 2.932 30VAL BB 82 2.181 0.398 3.000 30VAL SC1 83 2.338 0.592 3.084 31TRP BB 84 2.061 0.119 3.115 31TRP SC1 85 2.023 0.224 3.424 31TRP SC2 86 2.162 0.321 3.551 31TRP SC3 87 1.817 0.310 3.628 31TRP SC4 88 1.955 0.424 3.762 10.00000 10.00000 10.00000