Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 5.400 1.205 3.838 1LYS SC1 2 5.417 1.375 3.573 1LYS SC2 3 5.593 1.606 3.667 2MET BB 4 5.224 1.078 4.077 2MET SC1 5 4.934 0.860 3.875 3LYS BB 6 5.447 1.048 4.297 3LYS SC1 7 5.514 0.753 4.217 3LYS SC2 8 5.239 0.613 4.258 4ALA BB 9 5.532 1.358 4.291 5VAL BB 10 5.235 1.423 4.416 5VAL SC1 11 5.067 1.469 4.218 6MET BB 12 5.243 1.243 4.677 6MET SC1 13 5.101 0.876 4.543 7ILE BB 14 5.479 1.381 4.828 7ILE SC1 15 5.721 1.231 4.772 8GLY BB 16 5.344 1.657 4.844 9ALA BB 17 5.081 1.547 4.977 10CYS BB 18 5.267 1.473 5.244 10CYS SC1 19 5.381 1.225 5.296 11PHE BB 20 5.391 1.752 5.318 11PHE SC1 21 5.623 1.775 5.082 11PHE SC2 22 5.534 1.959 4.955 11PHE SC3 23 5.680 1.856 4.821 12LEU BB 24 5.121 1.902 5.377 12LEU SC1 25 5.043 2.002 5.054 13ILE BB 26 5.033 1.726 5.615 13ILE SC1 27 4.850 1.524 5.517 14ASP BB 28 5.283 1.794 5.793 14ASP SC1 29 5.560 1.724 5.790 15PHE BB 30 5.237 2.105 5.823 15PHE SC1 31 5.302 2.220 5.522 15PHE SC2 32 5.073 2.280 5.475 15PHE SC3 33 5.180 2.286 5.280 16MET BB 34 4.955 2.094 5.973 16MET SC1 35 4.686 2.054 5.656 17PHE BB 36 5.040 1.946 6.240 17PHE SC1 37 5.089 1.642 6.123 17PHE SC2 38 5.329 1.641 6.142 17PHE SC3 39 5.277 1.473 6.005 18PHE BB 40 5.240 2.164 6.346 18PHE SC1 41 5.492 2.127 6.136 18PHE SC2 42 5.466 2.340 6.025 18PHE SC3 43 5.598 2.217 5.894 19GLU BB 44 5.032 2.401 6.375 19GLU SC1 45 4.891 2.505 6.004 20SER BB 46 4.845 2.271 6.592 20SER SC1 47 4.766 2.059 6.490 21THR BB 48 5.061 2.249 6.816 21THR SC1 49 5.209 2.047 6.725 22GLY BB 50 5.125 2.551 6.838 23SER BB 51 4.844 2.633 6.925 23SER SC1 52 4.686 2.562 6.748 24GLN BB 53 4.837 2.466 7.192 24GLN SC1 54 4.755 2.076 7.210 25GLU BB 55 5.080 2.608 7.339 25GLU SC1 56 5.428 2.537 7.138 26GLN BB 57 4.960 2.901 7.356 26GLN SC1 58 4.951 3.159 7.053 27LYS BB 59 4.713 2.835 7.537 27LYS SC1 60 4.481 2.805 7.322 27LYS SC2 61 4.330 3.061 7.374 28SER BB 62 4.879 2.735 7.782 28SER SC1 63 5.013 2.533 7.709 29GLY BB 64 5.033 2.999 7.834 30VAL BB 65 4.787 3.162 7.895 30VAL SC1 66 4.673 3.261 7.679 31TRP BB 67 4.711 2.960 8.137 31TRP SC1 68 4.528 2.757 7.955 31TRP SC2 69 4.370 2.802 7.821 31TRP SC3 70 4.524 2.484 7.825 31TRP SC4 71 4.365 2.527 7.675 10.00000 10.00000 10.00000