Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 2.049 3.324 4.045 1LYS SC1 2 1.937 3.509 3.816 1LYS SC2 3 2.163 3.711 3.792 2MET BB 4 2.022 3.202 4.343 2MET SC1 5 1.643 3.032 4.341 3LYS BB 6 2.324 3.132 4.399 3LYS SC1 7 2.295 2.838 4.297 3LYS SC2 8 2.075 2.727 4.486 4ALA BB 9 2.431 3.430 4.343 5VAL BB 10 2.266 3.519 4.614 5VAL SC1 11 2.024 3.597 4.545 6MET BB 12 2.395 3.322 4.826 6MET SC1 13 2.156 2.983 4.798 7ILE BB 14 2.691 3.422 4.817 7ILE SC1 15 2.837 3.250 4.635 8GLY BB 16 2.626 3.709 4.904 9ALA BB 17 2.470 3.621 5.163 10CYS BB 18 2.763 3.508 5.279 10CYS SC1 19 2.852 3.246 5.260 11PHE BB 20 2.943 3.766 5.268 11PHE SC1 21 3.003 3.779 4.942 11PHE SC2 22 2.883 3.980 4.886 11PHE SC3 23 2.914 3.870 4.694 12LEU BB 24 2.774 3.941 5.469 12LEU SC1 25 2.542 4.071 5.245 13ILE BB 26 2.812 3.759 5.716 13ILE SC1 27 2.581 3.587 5.740 14ASP BB 28 3.125 3.787 5.721 14ASP SC1 29 3.341 3.687 5.563 15PHE BB 30 3.145 4.099 5.770 15PHE SC1 31 3.045 4.226 5.483 15PHE SC2 32 2.839 4.314 5.574 15PHE SC3 33 2.818 4.321 5.352 16MET BB 34 2.997 4.109 6.053 16MET SC1 35 2.595 4.121 5.943 17PHE BB 36 3.197 3.934 6.227 17PHE SC1 37 3.131 3.635 6.104 17PHE SC2 38 3.339 3.606 5.985 17PHE SC3 39 3.197 3.455 5.901 18PHE BB 40 3.448 4.121 6.199 18PHE SC1 41 3.532 4.071 5.884 18PHE SC2 42 3.476 4.292 5.806 18PHE SC3 43 3.495 4.164 5.624 19GLU BB 44 3.326 4.377 6.339 19GLU SC1 45 3.016 4.521 6.112 20SER BB 46 3.277 4.255 6.624 20SER SC1 47 3.127 4.060 6.586 21THR BB 48 3.577 4.193 6.688 21THR SC1 49 3.620 3.982 6.531 22GLY BB 50 3.681 4.483 6.668 23SER BB 51 3.510 4.590 6.898 23SER SC1 52 3.272 4.550 6.842 24GLN BB 53 3.633 4.408 7.123 24GLN SC1 54 3.524 4.029 7.187 25GLU BB 55 3.932 4.511 7.107 25GLU SC1 56 4.095 4.416 6.745 26GLN BB 57 3.882 4.814 7.187 26GLN SC1 58 3.738 5.091 6.940 27LYS BB 59 3.772 4.763 7.475 27LYS SC1 60 3.458 4.774 7.429 27LYS SC2 61 3.397 5.042 7.556 28SER BB 62 4.032 4.629 7.585 28SER SC1 63 4.075 4.419 7.450 29GLY BB 64 4.222 4.869 7.539 30VAL BB 65 4.076 5.055 7.727 30VAL SC1 66 3.875 5.180 7.612 31TRP BB 67 4.123 4.847 7.971 31TRP SC1 68 3.845 4.678 7.925 31TRP SC2 69 3.647 4.750 7.904 31TRP SC3 70 3.733 4.417 7.823 31TRP SC4 71 3.524 4.487 7.788 10.00000 10.00000 10.00000