Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 3.717 -0.182 -0.097 1LYS SC1 2 3.663 -0.389 -0.328 1LYS SC2 3 3.367 -0.446 -0.284 1LYS SCD 4 3.376 -0.447 -0.277 2MET BB 5 3.871 -0.102 0.171 2MET SC1 6 4.270 -0.150 0.076 3LYS BB 7 3.670 0.110 0.286 3LYS SC1 8 3.816 0.352 0.159 3LYS SC2 9 4.099 0.328 0.285 3LYS SCD 10 4.093 0.322 0.279 4ALA BB 11 3.417 -0.087 0.284 5VAL BB 12 3.570 -0.258 0.516 5VAL SC1 13 3.716 -0.447 0.408 6MET BB 14 3.612 -0.033 0.733 6MET SC1 15 3.975 0.138 0.629 7ILE BB 16 3.316 0.034 0.798 7ILE SC1 17 3.235 0.263 0.642 8GLY BB 18 3.244 -0.247 0.894 9ALA BB 19 3.476 -0.262 1.104 10CYS BB 20 3.319 -0.021 1.270 10CYS SC1 21 3.370 0.251 1.252 11PHE BB 22 3.037 -0.148 1.322 11PHE SC1 23 2.902 -0.118 1.023 11PHE SC2 24 2.887 -0.350 0.961 11PHE SC3 25 2.873 -0.233 0.771 12LEU BB 26 3.134 -0.391 1.495 12LEU SC1 27 3.208 -0.615 1.243 13ILE BB 28 3.252 -0.228 1.728 13ILE SC1 29 3.535 -0.198 1.690 14ASP0 BB 30 2.980 -0.091 1.804 14ASP0 SC1 31 2.835 0.100 1.694 15PHE BB 32 2.817 -0.349 1.883 15PHE SC1 33 2.768 -0.500 1.598 15PHE SC2 34 2.915 -0.684 1.649 15PHE SC3 35 2.877 -0.693 1.429 16MET BB 36 2.999 -0.445 2.126 16MET SC1 37 3.301 -0.657 1.937 17PHE BB 38 2.963 -0.200 2.324 17PHE SC1 39 3.138 0.028 2.168 17PHE SC2 40 2.953 0.164 2.095 17PHE SC3 41 3.128 0.224 1.970 18PHE BB 42 2.654 -0.229 2.369 18PHE SC1 43 2.534 -0.133 2.080 18PHE SC2 44 2.450 -0.348 2.012 18PHE SC3 45 2.457 -0.222 1.827 19GLU BB 46 2.714 -0.485 2.479 19GLU SC1 47 2.788 -0.792 2.229 19GLU SCD 48 2.780 -0.799 2.231 9.00000 9.00000 9.00000