Getting the Right Output Means no Artefacts in Calculating Stuff 49 1LYS BB 1 3.090 -1.121 4.577 1LYS SC1 2 3.038 -1.295 4.319 1LYS SC2 3 2.892 -1.093 4.144 1LYS SCD 4 2.887 -1.097 4.153 2MET BB 5 3.047 -1.071 4.889 2MET SC1 6 3.164 -1.426 5.065 3LYS BB 7 3.100 -0.762 4.901 3LYS SC1 8 3.400 -0.793 4.973 3LYS SC2 9 3.385 -0.955 5.238 3LYS SCD 10 3.382 -0.955 5.249 4ALA BB 11 2.879 -0.688 4.681 5VAL BB 12 2.655 -0.788 4.897 5VAL SC1 13 2.602 -1.042 4.860 6MET BB 14 2.726 -0.602 5.142 6MET SC1 15 3.013 -0.817 5.349 7ILE BB 16 2.667 -0.324 5.016 7ILE SC1 17 2.913 -0.211 4.918 8GLY BB 18 2.371 -0.381 4.959 9ALA BB 19 2.304 -0.464 5.254 10CYS BB 20 2.364 -0.149 5.339 10CYS SC1 21 2.604 -0.047 5.436 11PHE BB 22 2.162 0.009 5.159 11PHE SC1 23 2.315 -0.009 4.868 11PHE SC2 24 2.161 -0.150 4.748 11PHE SC3 25 2.355 -0.160 4.636 12LEU BB 26 1.899 -0.116 5.275 12LEU SC1 27 1.878 -0.400 5.081 13ILE BB 28 1.932 -0.011 5.563 13ILE SC1 29 2.049 -0.216 5.726 14ASP BB 30 1.928 0.292 5.481 14ASP SC1 31 2.106 0.473 5.350 14ASP SCD 32 2.097 0.478 5.350 15PHE BB 33 1.637 0.305 5.359 15PHE SC1 34 1.661 0.135 5.082 15PHE SC2 35 1.525 -0.048 5.161 15PHE SC3 36 1.629 -0.122 4.978 16MET BB 37 1.475 0.229 5.622 16MET SC1 38 1.488 -0.186 5.623 17PHE BB 39 1.551 0.473 5.809 17PHE SC1 40 1.864 0.402 5.875 17PHE SC2 41 1.963 0.576 5.741 17PHE SC3 42 2.126 0.428 5.782 18PHE BB 43 1.423 0.700 5.634 18PHE SC1 44 1.627 0.712 5.379 18PHE SC2 45 1.472 0.626 5.215 18PHE SC3 46 1.675 0.608 5.124 19GLU BB 47 1.175 0.568 5.679 19GLU SC1 48 1.088 0.240 5.462 19GLU SCD 49 1.089 0.251 5.462 9.00000 9.00000 9.00000