Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -1.179 -1.328 0.853 0.0000 0.0000 0.0000 1LYS SC1 2 -1.277 -1.352 1.151 0.0000 0.0000 0.0000 1LYS SC2 3 -1.444 -1.098 1.176 0.0000 0.0000 0.0000 1LYS SCD 4 -1.434 -1.100 1.173 0.0000 0.0000 0.0000 2MET BB 5 -0.940 -1.302 0.642 0.0000 0.0000 0.0000 2MET SC1 6 -0.691 -1.619 0.734 0.0000 0.0000 0.0000 3LYS BB 7 -1.096 -1.174 0.402 0.0000 0.0000 0.0000 3LYS SC1 8 -1.154 -1.447 0.265 0.0000 0.0000 0.0000 3LYS SC2 9 -0.867 -1.557 0.219 0.0000 0.0000 0.0000 3LYS SCD 10 -0.873 -1.553 0.227 0.0000 0.0000 0.0000 4ALA BB 11 -1.207 -0.925 0.570 0.0000 0.0000 0.0000 5VAL BB 12 -0.897 -0.823 0.591 0.0000 0.0000 0.0000 5VAL SC1 13 -0.786 -0.918 0.809 0.0000 0.0000 0.0000 6MET BB 14 -0.822 -0.807 0.285 0.0000 0.0000 0.0000 6MET SC1 15 -0.685 -1.187 0.196 0.0000 0.0000 0.0000 7ILE BB 16 -1.023 -0.588 0.193 0.0000 0.0000 0.0000 7ILE SC1 17 -1.256 -0.715 0.083 0.0000 0.0000 0.0000 8GLY BB 18 -0.915 -0.371 0.381 0.0000 0.0000 0.0000 9ALA BB 19 -0.618 -0.398 0.281 0.0000 0.0000 0.0000 10CYS BB 20 -0.722 -0.281 -0.011 0.0000 0.0000 0.0000 10CYS SC1 21 -0.796 -0.432 -0.232 0.0000 0.0000 0.0000 11PHE BB 22 -0.848 -0.005 0.068 0.0000 0.0000 0.0000 11PHE SC1 23 -1.133 -0.105 0.202 0.0000 0.0000 0.0000 11PHE SC2 24 -1.095 -0.044 0.431 0.0000 0.0000 0.0000 11PHE SC3 25 -1.260 -0.195 0.433 0.0000 0.0000 0.0000 12LEU BB 26 -0.588 0.127 0.183 0.0000 0.0000 0.0000 12LEU SC1 27 -0.600 0.008 0.506 0.0000 0.0000 0.0000 13ILE BB 28 -0.427 0.125 -0.080 0.0000 0.0000 0.0000 13ILE SC1 29 -0.255 -0.106 -0.084 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.628 0.307 -0.236 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.868 0.267 -0.340 0.0000 0.0000 0.0000 15PHE BB 32 -0.604 0.567 -0.060 0.0000 0.0000 0.0000 15PHE SC1 33 -0.752 0.485 0.219 0.0000 0.0000 0.0000 15PHE SC2 34 -0.548 0.485 0.349 0.0000 0.0000 0.0000 15PHE SC3 35 -0.701 0.381 0.473 0.0000 0.0000 0.0000 16MET BB 36 -0.295 0.626 -0.108 0.0000 0.0000 0.0000 16MET SC1 37 -0.110 0.383 0.172 0.0000 0.0000 0.0000 17PHE BB 38 -0.295 0.677 -0.420 0.0000 0.0000 0.0000 17PHE SC1 39 -0.344 0.373 -0.531 0.0000 0.0000 0.0000 17PHE SC2 40 -0.571 0.405 -0.607 0.0000 0.0000 0.0000 17PHE SC3 41 -0.540 0.184 -0.591 0.0000 0.0000 0.0000 18PHE BB 42 -0.480 0.930 -0.420 0.0000 0.0000 0.0000 18PHE SC1 43 -0.772 0.800 -0.349 0.0000 0.0000 0.0000 18PHE SC2 44 -0.793 0.899 -0.130 0.0000 0.0000 0.0000 18PHE SC3 45 -0.943 0.734 -0.139 0.0000 0.0000 0.0000 19GLU BB 46 -0.278 1.055 -0.262 0.0000 0.0000 0.0000 19GLU SC1 47 -0.259 0.968 0.131 0.0000 0.0000 0.0000 19GLU SCD 48 -0.260 0.978 0.135 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000