Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -1.160 1.021 -0.299 0.0000 0.0000 0.0000 1LYS SC1 2 -1.287 1.087 -0.579 0.0000 0.0000 0.0000 1LYS SC2 3 -1.475 0.849 -0.613 0.0000 0.0000 0.0000 1LYS SCD 4 -1.464 0.850 -0.611 0.0000 0.0000 0.0000 2MET BB 5 -0.903 0.955 -0.121 0.0000 0.0000 0.0000 2MET SC1 6 -0.641 1.263 -0.206 0.0000 0.0000 0.0000 3LYS BB 7 -1.041 0.809 0.119 0.0000 0.0000 0.0000 3LYS SC1 8 -1.063 1.067 0.292 0.0000 0.0000 0.0000 3LYS SC2 9 -0.765 1.151 0.317 0.0000 0.0000 0.0000 3LYS SCD 10 -0.773 1.150 0.309 0.0000 0.0000 0.0000 4ALA BB 11 -1.188 0.590 -0.061 0.0000 0.0000 0.0000 5VAL BB 12 -0.891 0.471 -0.129 0.0000 0.0000 0.0000 5VAL SC1 13 -0.797 0.584 -0.347 0.0000 0.0000 0.0000 6MET BB 14 -0.786 0.414 0.162 0.0000 0.0000 0.0000 6MET SC1 15 -0.611 0.771 0.276 0.0000 0.0000 0.0000 7ILE BB 16 -0.991 0.199 0.252 0.0000 0.0000 0.0000 7ILE SC1 17 -1.201 0.326 0.402 0.0000 0.0000 0.0000 8GLY BB 18 -0.921 -0.001 0.030 0.0000 0.0000 0.0000 9ALA BB 19 -0.615 -0.005 0.097 0.0000 0.0000 0.0000 10CYS BB 20 -0.695 -0.149 0.384 0.0000 0.0000 0.0000 10CYS SC1 21 -0.734 -0.021 0.628 0.0000 0.0000 0.0000 11PHE BB 22 -0.850 -0.405 0.289 0.0000 0.0000 0.0000 11PHE SC1 23 -1.138 -0.272 0.202 0.0000 0.0000 0.0000 11PHE SC2 24 -1.130 -0.307 -0.036 0.0000 0.0000 0.0000 11PHE SC3 25 -1.283 -0.147 -0.002 0.0000 0.0000 0.0000 12LEU BB 26 -0.615 -0.539 0.132 0.0000 0.0000 0.0000 12LEU SC1 27 -0.651 -0.381 -0.173 0.0000 0.0000 0.0000 13ILE BB 28 -0.426 -0.578 0.373 0.0000 0.0000 0.0000 13ILE SC1 29 -0.238 -0.361 0.383 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.623 -0.765 0.530 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.847 -0.722 0.664 0.0000 0.0000 0.0000 15PHE BB 32 -0.639 -1.003 0.324 0.0000 0.0000 0.0000 15PHE SC1 33 -0.808 -0.879 0.075 0.0000 0.0000 0.0000 15PHE SC2 34 -0.620 -0.877 -0.076 0.0000 0.0000 0.0000 15PHE SC3 35 -0.777 -0.748 -0.170 0.0000 0.0000 0.0000 16MET BB 36 -0.332 -1.086 0.330 0.0000 0.0000 0.0000 16MET SC1 37 -0.159 -0.824 0.059 0.0000 0.0000 0.0000 17PHE BB 38 -0.302 -1.175 0.632 0.0000 0.0000 0.0000 17PHE SC1 39 -0.316 -0.884 0.780 0.0000 0.0000 0.0000 17PHE SC2 40 -0.535 -0.910 0.878 0.0000 0.0000 0.0000 17PHE SC3 41 -0.489 -0.691 0.884 0.0000 0.0000 0.0000 18PHE BB 42 -0.505 -1.413 0.625 0.0000 0.0000 0.0000 18PHE SC1 43 -0.792 -1.258 0.602 0.0000 0.0000 0.0000 18PHE SC2 44 -0.844 -1.328 0.378 0.0000 0.0000 0.0000 18PHE SC3 45 -0.979 -1.155 0.422 0.0000 0.0000 0.0000 19GLU BB 46 -0.331 -1.531 0.432 0.0000 0.0000 0.0000 19GLU SC1 47 -0.348 -1.399 0.052 0.0000 0.0000 0.0000 19GLU SCD 48 -0.350 -1.409 0.046 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000