Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 2.819 6.477 -2.173 1LYS SC1 2 2.848 6.269 -2.408 1LYS SC2 3 2.592 6.107 -2.371 2MET BB 4 2.927 6.603 -1.897 2MET SC1 5 3.319 6.706 -1.988 3LYS BB 6 2.659 6.725 -1.785 3LYS SC1 7 2.712 7.007 -1.911 3LYS SC2 8 2.983 7.085 -1.779 4ALA BB 9 2.497 6.448 -1.797 5VAL BB 10 2.699 6.341 -1.560 5VAL SC1 11 2.906 6.221 -1.672 6MET BB 12 2.651 6.564 -1.340 6MET SC1 13 2.930 6.857 -1.440 7ILE BB 14 2.349 6.517 -1.282 7ILE SC1 15 2.196 6.704 -1.441 8GLY BB 16 2.384 6.225 -1.190 9ALA BB 17 2.604 6.294 -0.975 10CYS BB 18 2.365 6.459 -0.810 10CYS SC1 19 2.316 6.732 -0.828 11PHE BB 20 2.148 6.235 -0.766 11PHE SC1 21 2.018 6.222 -1.071 11PHE SC2 22 2.089 6.002 -1.136 11PHE SC3 23 2.036 6.108 -1.325 12LEU BB 24 2.325 6.041 -0.593 12LEU SC1 25 2.480 5.866 -0.849 13ILE BB 26 2.370 6.235 -0.356 13ILE SC1 27 2.625 6.366 -0.392 14ASP BB 28 2.065 6.261 -0.285 14ASP SC1 29 1.839 6.391 -0.402 15PHE BB 30 2.007 5.959 -0.212 15PHE SC1 31 2.022 5.807 -0.503 15PHE SC2 32 2.225 5.688 -0.451 15PHE SC3 33 2.197 5.670 -0.672 16MET BB 34 2.208 5.933 0.035 16MET SC1 35 2.570 5.849 -0.154 17PHE BB 36 2.081 6.145 0.234 17PHE SC1 37 2.165 6.424 0.080 17PHE SC2 38 1.944 6.484 0.004 17PHE SC3 39 2.087 6.606 -0.117 18PHE BB 40 1.802 6.003 0.271 18PHE SC1 41 1.663 6.056 -0.022 18PHE SC2 42 1.664 5.826 -0.095 18PHE SC3 43 1.628 5.949 -0.278 19GLU BB 44 1.910 5.734 0.400 19GLU SC1 45 2.136 5.532 0.125 20SER BB 46 2.037 5.856 0.660 20SER SC1 47 2.204 6.021 0.579 21THR BB 48 1.772 5.970 0.779 21THR SC1 49 1.730 6.180 0.620 22GLY BB 50 1.621 5.701 0.801 23SER BB 51 1.818 5.575 0.998 23SER SC1 52 2.041 5.572 0.892 24GLN BB 53 1.777 5.783 1.231 24GLN SC1 54 1.956 6.140 1.245 25GLU BB 55 1.468 5.731 1.283 25GLU SC1 56 1.249 5.841 0.957 26GLN BB 57 1.486 5.428 1.372 26GLN SC1 58 1.527 5.122 1.120 27LYS BB 59 1.661 5.469 1.627 27LYS SC1 60 1.952 5.403 1.519 27LYS SC2 61 1.995 5.133 1.648 28SER BB 62 1.455 5.648 1.778 28SER SC1 63 1.419 5.858 1.642 29GLY BB 64 1.224 5.442 1.789 30VAL BB 65 1.375 5.242 1.956 30VAL SC1 66 1.524 5.080 1.811 31TRP BB 67 1.415 5.463 2.190 31TRP SC1 68 1.700 5.580 2.076 31TRP SC2 69 1.876 5.474 2.020 31TRP SC3 70 1.828 5.815 1.935 31TRP SC4 71 2.011 5.708 1.863 10.00000 10.00000 10.00000