Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 1.696 -0.858 -1.434 0.0000 0.0000 0.0000 1LYS SC1 2 1.985 -0.949 -1.351 0.0000 0.0000 0.0000 1LYS SC2 3 1.926 -1.092 -1.088 0.0000 0.0000 0.0000 2MET BB 4 1.485 -0.621 -1.498 0.0000 0.0000 0.0000 2MET SC1 5 1.679 -0.400 -1.791 0.0000 0.0000 0.0000 3LYS BB 6 1.216 -0.773 -1.440 0.0000 0.0000 0.0000 3LYS SC1 7 1.178 -0.860 -1.738 0.0000 0.0000 0.0000 3LYS SC2 8 1.171 -0.585 -1.883 0.0000 0.0000 0.0000 4ALA BB 9 1.296 -0.857 -1.140 0.0000 0.0000 0.0000 5VAL BB 10 1.282 -0.536 -1.067 0.0000 0.0000 0.0000 5VAL SC1 11 1.522 -0.431 -1.098 0.0000 0.0000 0.0000 6MET BB 12 0.986 -0.471 -1.158 0.0000 0.0000 0.0000 6MET SC1 13 1.030 -0.372 -1.560 0.0000 0.0000 0.0000 7ILE BB 14 0.828 -0.654 -0.962 0.0000 0.0000 0.0000 7ILE SC1 15 0.768 -0.902 -1.099 0.0000 0.0000 0.0000 8GLY BB 16 0.936 -0.520 -0.707 0.0000 0.0000 0.0000 9ALA BB 17 0.852 -0.230 -0.794 0.0000 0.0000 0.0000 10CYS BB 18 0.535 -0.333 -0.768 0.0000 0.0000 0.0000 10CYS SC1 19 0.379 -0.428 -0.977 0.0000 0.0000 0.0000 11PHE BB 20 0.522 -0.432 -0.469 0.0000 0.0000 0.0000 11PHE SC1 21 0.682 -0.721 -0.498 0.0000 0.0000 0.0000 11PHE SC2 22 0.880 -0.672 -0.369 0.0000 0.0000 0.0000 11PHE SC3 23 0.930 -0.849 -0.495 0.0000 0.0000 0.0000 12LEU BB 24 0.588 -0.156 -0.333 0.0000 0.0000 0.0000 12LEU SC1 25 0.934 -0.172 -0.342 0.0000 0.0000 0.0000 13ILE BB 26 0.339 -0.004 -0.436 0.0000 0.0000 0.0000 13ILE SC1 27 0.414 0.144 -0.673 0.0000 0.0000 0.0000 14ASP BB 28 0.132 -0.194 -0.295 0.0000 0.0000 0.0000 14ASP SC1 29 0.038 -0.461 -0.338 0.0000 0.0000 0.0000 15PHE BB 30 0.215 -0.141 0.005 0.0000 0.0000 0.0000 15PHE SC1 31 0.508 -0.289 0.028 0.0000 0.0000 0.0000 15PHE SC2 32 0.630 -0.083 0.051 0.0000 0.0000 0.0000 15PHE SC3 33 0.781 -0.240 0.007 0.0000 0.0000 0.0000 16MET BB 34 0.150 0.171 0.014 0.0000 0.0000 0.0000 16MET SC1 35 0.498 0.340 -0.143 0.0000 0.0000 0.0000 17PHE BB 36 -0.163 0.166 -0.038 0.0000 0.0000 0.0000 17PHE SC1 37 -0.164 0.085 -0.358 0.0000 0.0000 0.0000 17PHE SC2 38 -0.247 -0.140 -0.331 0.0000 0.0000 0.0000 17PHE SC3 39 -0.161 -0.129 -0.537 0.0000 0.0000 0.0000 18PHE BB 40 -0.244 0.003 0.219 0.0000 0.0000 0.0000 18PHE SC1 41 -0.132 -0.297 0.143 0.0000 0.0000 0.0000 18PHE SC2 42 0.043 -0.304 0.309 0.0000 0.0000 0.0000 18PHE SC3 43 0.088 -0.468 0.164 0.0000 0.0000 0.0000 19GLU BB 44 -0.140 0.211 0.434 0.0000 0.0000 0.0000 19GLU SC1 45 0.268 0.241 0.408 0.0000 0.0000 0.0000 20SER BB 46 -0.328 0.451 0.360 0.0000 0.0000 0.0000 20SER SC1 47 -0.281 0.498 0.120 0.0000 0.0000 0.0000 21THR BB 48 -0.598 0.307 0.425 0.0000 0.0000 0.0000 21THR SC1 49 -0.618 0.140 0.219 0.0000 0.0000 0.0000 22GLY BB 50 -0.540 0.252 0.724 0.0000 0.0000 0.0000 23SER BB 51 -0.518 0.546 0.803 0.0000 0.0000 0.0000 23SER SC1 52 -0.337 0.649 0.669 0.0000 0.0000 0.0000 24GLN BB 53 -0.812 0.628 0.725 0.0000 0.0000 0.0000 24GLN SC1 54 -0.929 0.712 0.352 0.0000 0.0000 0.0000 25GLU BB 55 -0.966 0.437 0.926 0.0000 0.0000 0.0000 25GLU SC1 56 -0.898 0.046 0.829 0.0000 0.0000 0.0000 26GLN BB 57 -0.858 0.557 1.198 0.0000 0.0000 0.0000 26GLN SC1 58 -0.498 0.480 1.350 0.0000 0.0000 0.0000 27LYS BB 59 -0.976 0.845 1.167 0.0000 0.0000 0.0000 27LYS SC1 60 -0.728 1.006 1.054 0.0000 0.0000 0.0000 27LYS SC2 61 -0.654 1.167 1.299 0.0000 0.0000 0.0000 28SER BB 62 -1.275 0.755 1.162 0.0000 0.0000 0.0000 28SER SC1 63 -1.309 0.605 0.960 0.0000 0.0000 0.0000 29GLY BB 64 -1.281 0.621 1.441 0.0000 0.0000 0.0000 30VAL BB 65 -1.220 0.874 1.593 0.0000 0.0000 0.0000 30VAL SC1 66 -0.961 0.923 1.611 0.0000 0.0000 0.0000 31TRP BB 67 -1.483 1.016 1.467 0.0000 0.0000 0.0000 31TRP SC1 68 -1.332 1.140 1.204 0.0000 0.0000 0.0000 31TRP SC2 69 -1.154 1.254 1.192 0.0000 0.0000 0.0000 31TRP SC3 70 -1.299 1.107 0.905 0.0000 0.0000 0.0000 31TRP SC4 71 -1.106 1.218 0.886 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000