Getting the Right Output Means no Artefacts in Calculating Stuff 89 1LYS BB 1 2.941 0.757 2.611 1LYS SC1 2 2.791 0.537 2.441 1LYS SC2 3 2.712 0.700 2.196 1LYS SCD 4 2.702 0.697 2.199 2MET BB 5 2.962 0.936 2.878 2MET SC1 6 2.956 0.653 3.182 3LYS BB 7 3.132 1.176 2.767 3LYS SC1 8 3.404 1.049 2.855 3LYS SC2 9 3.364 1.019 3.162 3LYS SCD 10 3.373 1.021 3.168 4ALA BB 11 2.929 1.246 2.528 5VAL BB 12 2.715 1.336 2.762 5VAL SC1 13 2.565 1.128 2.825 6MET BB 14 2.887 1.553 2.915 6MET SC1 15 3.093 1.328 3.198 7ILE BB 16 2.923 1.762 2.686 7ILE SC1 17 3.179 1.713 2.560 8GLY BB 18 2.622 1.813 2.648 9ALA BB 19 2.570 1.880 2.951 10CYS BB 20 2.760 2.152 2.906 10CYS SC1 21 3.031 2.169 2.962 11PHE BB 22 2.610 2.298 2.671 11PHE SC1 23 2.706 2.109 2.416 11PHE SC2 24 2.494 2.010 2.357 11PHE SC3 25 2.652 1.881 2.264 12LEU BB 26 2.337 2.345 2.821 12LEU SC1 27 2.185 2.041 2.753 13ILE BB 28 2.449 2.527 3.045 13ILE SC1 29 2.500 2.364 3.278 14ASP BB 30 2.552 2.750 2.848 14ASP SC1 31 2.768 2.774 2.663 14ASP SCD 32 2.763 2.781 2.655 15PHE BB 33 2.274 2.835 2.723 15PHE SC1 34 2.195 2.576 2.536 15PHE SC2 35 2.010 2.509 2.676 15PHE SC3 36 2.051 2.337 2.541 16MET BB 37 2.133 2.935 2.992 16MET SC1 38 1.986 2.581 3.154 17PHE BB 39 2.324 3.177 3.068 17PHE SC1 40 2.591 3.009 3.166 17PHE SC2 41 2.731 3.064 2.978 17PHE SC3 42 2.827 2.889 3.079 18PHE BB 43 2.270 3.353 2.812 18PHE SC1 44 2.428 3.181 2.581 18PHE SC2 45 2.231 3.112 2.459 18PHE SC3 46 2.397 2.980 2.389 19GLU BB 47 1.960 3.398 2.857 19GLU SC1 48 1.765 3.040 2.826 19GLU SCD 49 1.761 3.048 2.821 20SER BB 50 1.976 3.554 3.130 20SER SC1 51 2.095 3.401 3.285 20SER SCD 52 2.097 3.388 3.291 20SER SCD 53 2.093 3.413 3.280 21THR BB 54 2.137 3.799 3.022 21THR SC1 55 2.378 3.692 2.992 21THR SCD 56 2.388 3.683 2.987 21THR SCD 57 2.369 3.700 2.997 22GLY BB 58 1.929 3.891 2.812 23SER BB 59 1.708 3.949 3.014 23SER SC1 60 1.660 3.740 3.137 23SER SCD 61 1.667 3.729 3.142 23SER SCD 62 1.652 3.751 3.132 24GLN BB 63 1.861 4.173 3.173 24GLN SC1 64 2.133 4.099 3.457 24GLN SCD 65 2.126 4.102 3.445 24GLN SCD 66 2.139 4.096 3.469 25GLU BB 67 1.897 4.381 2.936 25GLU SC1 68 2.139 4.224 2.647 25GLU SCD 69 2.147 4.230 2.645 26GLN BB 70 1.591 4.438 2.877 26GLN SC1 71 1.352 4.195 2.672 26GLN SCD 72 1.359 4.196 2.660 26GLN SCD 73 1.345 4.195 2.684 27LYS BB 74 1.518 4.562 3.155 27LYS SC1 75 1.391 4.314 3.306 27LYS SC2 76 1.099 4.393 3.301 27LYS SCD 77 1.102 4.384 3.306 28SER BB 78 1.714 4.804 3.133 28SER SC1 79 1.950 4.713 3.119 28SER SCD 80 1.937 4.719 3.119 28SER SCD 81 1.963 4.708 3.118 29GLY BB 82 1.593 4.931 2.878 30VAL BB 83 1.323 4.986 3.002 30VAL SC1 84 1.159 4.780 2.988 31TRP BB 85 1.463 5.168 3.231 31TRP SC1 86 1.508 4.924 3.445 31TRP SC2 87 1.369 4.780 3.516 31TRP SC3 88 1.718 4.743 3.566 31TRP SC4 89 1.579 4.582 3.635 10.00000 10.00000 10.00000