Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.283 -0.182 -1.097 0.0000 0.0000 0.0000 1LYS SC1 2 -0.337 -0.389 -1.328 0.0000 0.0000 0.0000 1LYS SC2 3 -0.633 -0.446 -1.284 0.0000 0.0000 0.0000 1LYS SCD 4 -0.624 -0.447 -1.277 0.0000 0.0000 0.0000 2MET BB 5 -0.129 -0.102 -0.829 0.0000 0.0000 0.0000 2MET SC1 6 0.270 -0.150 -0.924 0.0000 0.0000 0.0000 3LYS BB 7 -0.330 0.110 -0.714 0.0000 0.0000 0.0000 3LYS SC1 8 -0.184 0.352 -0.841 0.0000 0.0000 0.0000 3LYS SC2 9 0.099 0.328 -0.715 0.0000 0.0000 0.0000 3LYS SCD 10 0.093 0.322 -0.721 0.0000 0.0000 0.0000 4ALA BB 11 -0.583 -0.087 -0.716 0.0000 0.0000 0.0000 5VAL BB 12 -0.430 -0.258 -0.484 0.0000 0.0000 0.0000 5VAL SC1 13 -0.284 -0.447 -0.592 0.0000 0.0000 0.0000 6MET BB 14 -0.388 -0.033 -0.267 0.0000 0.0000 0.0000 6MET SC1 15 -0.025 0.138 -0.371 0.0000 0.0000 0.0000 7ILE BB 16 -0.684 0.034 -0.202 0.0000 0.0000 0.0000 7ILE SC1 17 -0.765 0.263 -0.358 0.0000 0.0000 0.0000 8GLY BB 18 -0.756 -0.247 -0.106 0.0000 0.0000 0.0000 9ALA BB 19 -0.524 -0.262 0.104 0.0000 0.0000 0.0000 10CYS BB 20 -0.681 -0.021 0.270 0.0000 0.0000 0.0000 10CYS SC1 21 -0.630 0.251 0.252 0.0000 0.0000 0.0000 11PHE BB 22 -0.963 -0.148 0.322 0.0000 0.0000 0.0000 11PHE SC1 23 -1.098 -0.118 0.023 0.0000 0.0000 0.0000 11PHE SC2 24 -1.113 -0.350 -0.039 0.0000 0.0000 0.0000 11PHE SC3 25 -1.127 -0.233 -0.229 0.0000 0.0000 0.0000 12LEU BB 26 -0.866 -0.391 0.495 0.0000 0.0000 0.0000 12LEU SC1 27 -0.792 -0.615 0.243 0.0000 0.0000 0.0000 13ILE BB 28 -0.748 -0.228 0.728 0.0000 0.0000 0.0000 13ILE SC1 29 -0.465 -0.198 0.690 0.0000 0.0000 0.0000 14ASP0 BB 30 -1.020 -0.091 0.804 0.0000 0.0000 0.0000 14ASP0 SC1 31 -1.165 0.100 0.694 0.0000 0.0000 0.0000 15PHE BB 32 -1.183 -0.349 0.883 0.0000 0.0000 0.0000 15PHE SC1 33 -1.232 -0.500 0.598 0.0000 0.0000 0.0000 15PHE SC2 34 -1.085 -0.684 0.649 0.0000 0.0000 0.0000 15PHE SC3 35 -1.123 -0.693 0.429 0.0000 0.0000 0.0000 16MET BB 36 -1.001 -0.445 1.126 0.0000 0.0000 0.0000 16MET SC1 37 -0.699 -0.657 0.937 0.0000 0.0000 0.0000 17PHE BB 38 -1.037 -0.200 1.324 0.0000 0.0000 0.0000 17PHE SC1 39 -0.862 0.028 1.168 0.0000 0.0000 0.0000 17PHE SC2 40 -1.047 0.164 1.095 0.0000 0.0000 0.0000 17PHE SC3 41 -0.872 0.224 0.970 0.0000 0.0000 0.0000 18PHE BB 42 -1.346 -0.229 1.369 0.0000 0.0000 0.0000 18PHE SC1 43 -1.466 -0.133 1.080 0.0000 0.0000 0.0000 18PHE SC2 44 -1.550 -0.348 1.012 0.0000 0.0000 0.0000 18PHE SC3 45 -1.543 -0.222 0.827 0.0000 0.0000 0.0000 19GLU BB 46 -1.286 -0.485 1.479 0.0000 0.0000 0.0000 19GLU SC1 47 -1.212 -0.792 1.229 0.0000 0.0000 0.0000 19GLU SCD 48 -1.220 -0.799 1.231 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000