Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 6.922 5.411 5.171 1LYS SC1 2 7.169 5.424 4.975 1LYS SC2 3 7.028 5.409 4.706 2MET BB 4 6.759 5.259 5.405 2MET SC1 5 7.045 5.216 5.704 3LYS BB 6 6.472 5.375 5.353 3LYS SC1 7 6.508 5.609 5.557 3LYS SC2 8 6.566 5.455 5.821 4ALA BB 9 6.459 5.281 5.046 5VAL BB 10 6.457 4.972 5.160 5VAL SC1 11 6.705 4.884 5.174 6MET BB 12 6.204 4.985 5.351 6MET SC1 13 6.364 5.112 5.713 7ILE BB 14 5.982 5.046 5.139 7ILE SC1 15 5.938 5.332 5.136 8GLY BB 16 6.030 4.790 4.975 9ALA BB 17 5.999 4.597 5.222 10CYS BB 18 5.679 4.691 5.234 10CYS SC1 19 5.577 4.893 5.396 11PHE BB 20 5.577 4.616 4.946 11PHE SC1 21 5.711 4.865 4.772 11PHE SC2 22 5.870 4.742 4.641 11PHE SC3 23 5.936 4.955 4.634 12LEU BB 24 5.629 4.307 4.964 12LEU SC1 25 5.963 4.302 4.867 13ILE BB 26 5.433 4.250 5.197 13ILE SC1 27 5.583 4.246 5.444 14ASP BB 28 5.178 4.349 5.041 14ASP SC1 29 5.075 4.604 4.960 15PHE BB 30 5.182 4.139 4.804 15PHE SC1 31 5.443 4.232 4.626 15PHE SC2 32 5.573 4.037 4.683 15PHE SC3 33 5.715 4.184 4.593 16MET BB 34 5.147 3.875 4.980 16MET SC1 35 5.539 3.793 5.099 17PHE BB 36 4.861 3.928 5.106 17PHE SC1 37 4.938 4.167 5.320 17PHE SC2 38 4.831 4.348 5.203 17PHE SC3 39 4.970 4.442 5.351 18PHE BB 40 4.699 3.935 4.836 18PHE SC1 41 4.798 4.221 4.708 18PHE SC2 42 4.920 4.126 4.522 18PHE SC3 43 4.987 4.339 4.540 19GLU BB 44 4.760 3.638 4.744 19GLU SC1 45 5.160 3.598 4.668 20SER BB 46 4.622 3.487 4.983 20SER SC1 47 4.736 3.571 5.187 21THR BB 48 4.333 3.591 4.929 21THR SC1 49 4.353 3.844 5.012 22GLY BB 50 4.302 3.475 4.645 23SER BB 51 4.330 3.183 4.730 23SER SC1 52 4.549 3.156 4.841 24GLN BB 53 4.077 3.175 4.917 24GLN SC1 54 4.073 3.310 5.294 25GLU BB 55 3.857 3.240 4.698 25GLU SC1 56 3.911 3.617 4.551 26GLN BB 57 3.899 2.987 4.513 26GLN SC1 58 4.195 2.947 4.250 27LYS BB 59 3.820 2.768 4.722 27LYS SC1 60 4.104 2.675 4.830 27LYS SC2 61 4.124 2.405 4.697 28SER BB 62 3.527 2.867 4.762 28SER SC1 63 3.535 3.103 4.855 29GLY BB 64 3.433 2.832 4.469 30VAL BB 65 3.475 2.533 4.464 30VAL SC1 66 3.722 2.465 4.403 31TRP BB 67 3.270 2.498 4.713 31TRP SC1 68 3.497 2.523 4.948 31TRP SC2 69 3.682 2.421 4.968 31TRP SC3 70 3.606 2.708 5.161 31TRP SC4 71 3.807 2.612 5.181 10.00000 10.00000 10.00000