Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 6.215 3.167 1.341 1LYS SC1 2 6.205 3.415 1.146 1LYS SC2 3 6.491 3.416 1.041 1LYS SCD 4 6.486 3.416 1.051 2MET BB 5 6.189 3.047 1.635 2MET SC1 6 5.818 3.175 1.764 3LYS BB 7 6.361 2.786 1.601 3LYS SC1 8 6.116 2.607 1.533 3LYS SC2 9 5.941 2.641 1.787 3LYS SCD 10 5.945 2.647 1.779 4ALA BB 11 6.623 2.939 1.498 5VAL BB 12 6.645 3.068 1.798 5VAL SC1 13 6.517 3.297 1.806 6MET BB 14 6.653 2.805 1.972 6MET SC1 15 6.254 2.720 2.043 7ILE BB 16 6.918 2.681 1.866 7ILE SC1 17 6.857 2.489 1.661 8GLY BB 18 7.095 2.917 1.951 9ALA BB 19 7.000 2.913 2.250 10CYS BB 20 7.150 2.618 2.277 10CYS SC1 21 7.030 2.369 2.250 11PHE BB 22 7.445 2.686 2.196 11PHE SC1 23 7.413 2.711 1.869 11PHE SC2 24 7.454 2.946 1.841 11PHE SC3 25 7.349 2.879 1.656 12LEU BB 26 7.504 2.890 2.426 12LEU SC1 27 7.379 3.178 2.281 13ILE BB 28 7.472 2.694 2.660 13ILE SC1 29 7.206 2.716 2.768 14ASP0 BB 30 7.704 2.504 2.569 14ASP0 SC1 31 7.728 2.327 2.374 15PHE BB 32 7.943 2.708 2.589 15PHE SC1 33 7.890 2.915 2.343 15PHE SC2 34 7.835 3.101 2.487 15PHE SC3 35 7.767 3.158 2.282 16MET BB 36 7.926 2.766 2.901 16MET SC1 37 7.635 3.061 2.924 17PHE BB 38 7.988 2.478 3.016 17PHE SC1 39 7.710 2.323 2.941 17PHE SC2 40 7.799 2.185 2.765 17PHE SC3 41 7.577 2.183 2.739 18PHE BB 42 8.278 2.450 2.902 18PHE SC1 43 8.222 2.411 2.582 18PHE SC2 44 8.314 2.622 2.512 18PHE SC3 45 8.191 2.547 2.341 19GLU BB 46 8.343 2.676 3.062 19GLU SC1 47 8.240 3.042 2.930 19GLU SCD 48 8.249 3.048 2.930 9.00000 9.00000 9.00000