Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 7.174 1.941 4.745 1LYS SC1 2 6.866 1.902 4.690 1LYS SC2 3 6.747 2.090 4.898 1LYS SCD 4 6.747 2.096 4.907 2MET BB 5 7.458 1.819 4.835 2MET SC1 6 7.508 1.497 4.577 3LYS BB 7 7.601 2.082 4.933 3LYS SC1 8 7.734 2.135 4.654 3LYS SC2 9 7.902 1.876 4.614 3LYS SCD 10 7.901 1.882 4.605 4ALA BB 11 7.372 2.160 5.144 5VAL BB 12 7.463 1.893 5.313 5VAL SC1 13 7.317 1.688 5.235 6MET BB 14 7.771 1.956 5.356 6MET SC1 15 7.948 1.795 5.016 7ILE BB 16 7.748 2.215 5.527 7ILE SC1 17 7.771 2.443 5.350 8GLY BB 18 7.592 2.083 5.757 9ALA BB 19 7.803 1.853 5.799 10CYS BB 20 8.015 2.090 5.901 10CYS SC1 21 8.204 2.215 5.740 11PHE BB 22 7.858 2.223 6.139 11PHE SC1 23 7.637 2.402 5.968 11PHE SC2 24 7.435 2.287 6.028 11PHE SC3 25 7.387 2.404 5.844 12LEU BB 26 7.840 1.968 6.322 12LEU SC1 27 7.553 1.825 6.188 13ILE BB 28 8.144 1.932 6.364 13ILE SC1 29 8.240 1.736 6.175 14ASP0 BB 30 8.184 2.210 6.497 14ASP0 SC1 31 8.270 2.347 6.229 15PHE BB 32 8.001 2.168 6.755 15PHE SC1 33 7.698 2.170 6.628 15PHE SC2 34 7.659 1.935 6.670 15PHE SC3 35 7.499 2.001 6.529 16MET BB 36 8.160 1.922 6.883 16MET SC1 37 8.003 1.596 6.676 17PHE BB 38 8.439 2.061 6.944 17PHE SC1 39 8.555 2.090 6.636 17PHE SC2 40 8.532 2.329 6.618 17PHE SC3 41 8.557 2.253 6.410 18PHE BB 42 8.333 2.276 7.148 18PHE SC1 43 8.170 2.480 6.949 18PHE SC2 44 7.950 2.430 7.033 18PHE SC3 45 7.919 2.535 6.838 19GLU BB 46 8.225 2.075 7.367 19GLU SC1 47 7.912 1.860 7.213 19GLU SCD 48 7.917 1.851 7.216 20SER BB 49 8.498 1.937 7.442 20SER SC1 50 8.583 1.842 7.228 20SER SCD 51 8.593 1.845 7.220 20SER SCD 52 8.572 1.838 7.236 21THR BB 53 8.639 2.194 7.548 21THR SC1 54 8.689 2.323 7.321 21THR SCD 55 8.685 2.317 7.333 21THR SCD 56 8.693 2.329 7.309 22GLY BB 57 8.439 2.257 7.775 23SER BB 58 8.489 1.998 7.929 23SER SC1 59 8.436 1.808 7.780 23SER SCD 60 8.448 1.814 7.783 23SER SCD 61 8.424 1.801 7.777 24GLN BB 62 8.795 2.047 7.988 24GLN SC1 63 9.087 1.975 7.725 24GLN SCD 64 9.091 1.962 7.729 24GLN SCD 65 9.083 1.988 7.721 25GLU BB 66 8.765 2.313 8.160 25GLU SC1 67 8.615 2.614 7.928 25GLU SCD 68 8.619 2.617 7.938 26GLN BB 69 8.596 2.194 8.400 26GLN SC1 70 8.205 2.121 8.386 26GLN SCD 71 8.197 2.131 8.390 26GLN SCD 72 8.214 2.110 8.383 27LYS BB 73 8.809 1.990 8.504 27LYS SC1 74 8.712 1.720 8.367 27LYS SC2 75 8.598 1.578 8.609 27LYS SCD 76 8.598 1.580 8.598 28SER BB 77 9.025 2.203 8.575 28SER SC1 78 9.091 2.323 8.361 28SER SCD 79 9.083 2.334 8.364 28SER SCD 80 9.099 2.312 8.358 29GLY BB 81 8.859 2.361 8.782 30VAL BB 82 8.829 2.130 8.974 30VAL SC1 83 8.625 1.973 8.916 31TRP BB 84 9.152 2.106 8.999 31TRP SC1 85 9.189 1.894 8.751 31TRP SC2 86 9.088 1.711 8.715 31TRP SC3 87 9.284 1.868 8.465 31TRP SC4 88 9.172 1.681 8.416 10.00000 10.00000 10.00000