Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 -0.954 0.491 3.928 1LYS SC1 2 -1.133 0.684 4.101 1LYS SC2 3 -1.294 0.822 3.883 2MET BB 4 -0.662 0.398 3.827 2MET SC1 5 -0.459 0.327 4.183 3LYS BB 6 -0.741 0.259 3.556 3LYS SC1 7 -0.765 -0.025 3.686 3LYS SC2 8 -0.479 -0.066 3.801 4ALA BB 9 -0.890 0.518 3.437 5VAL BB 10 -0.594 0.661 3.427 5VAL SC1 11 -0.555 0.792 3.653 6MET BB 12 -0.436 0.451 3.250 6MET SC1 13 -0.290 0.181 3.531 7ILE BB 14 -0.598 0.474 2.985 7ILE SC1 15 -0.795 0.261 2.982 8GLY BB 16 -0.542 0.773 2.943 9ALA BB 17 -0.229 0.742 2.965 10CYS BB 18 -0.244 0.568 2.681 10CYS SC1 19 -0.257 0.291 2.663 11PHE BB 20 -0.382 0.772 2.485 11PHE SC1 21 -0.696 0.750 2.591 11PHE SC2 22 -0.723 0.971 2.683 11PHE SC3 23 -0.886 0.845 2.772 12LEU BB 24 -0.160 0.995 2.497 12LEU SC1 25 -0.269 1.164 2.780 13ILE BB 26 0.069 0.825 2.377 13ILE SC1 27 0.226 0.717 2.594 14ASP BB 28 -0.077 0.775 2.102 14ASP SC1 29 -0.297 0.615 2.016 15PHE BB 30 -0.097 1.074 2.004 15PHE SC1 31 -0.322 1.204 2.206 15PHE SC2 32 -0.163 1.346 2.320 15PHE SC3 33 -0.348 1.345 2.446 16MET BB 34 0.215 1.138 1.989 16MET SC1 35 0.304 1.242 2.383 17PHE BB 36 0.304 0.930 1.766 17PHE SC1 37 0.279 0.650 1.938 17PHE SC2 38 0.084 0.563 1.826 17PHE SC3 39 0.104 0.446 2.015 18PHE BB 40 0.131 1.047 1.531 18PHE SC1 41 -0.172 0.958 1.624 18PHE SC2 42 -0.253 1.181 1.668 18PHE SC3 43 -0.398 1.042 1.766 19GLU BB 44 0.265 1.333 1.519 19GLU SC1 45 0.186 1.535 1.866 20SER BB 46 0.557 1.244 1.443 20SER SC1 47 0.627 1.090 1.625 21THR BB 48 0.484 1.114 1.168 21THR SC1 49 0.364 0.890 1.248 22GLY BB 50 0.368 1.368 1.035 23SER BB 51 0.628 1.527 1.048 23SER SC1 52 0.697 1.544 1.285 24GLN BB 53 0.799 1.334 0.867 24GLN SC1 54 0.971 0.998 0.999 25GLU BB 55 0.628 1.359 0.600 25GLU SC1 56 0.255 1.205 0.658 26GLN BB 57 0.669 1.669 0.548 26GLN SC1 58 0.473 1.958 0.739 27LYS BB 59 0.979 1.665 0.509 27LYS SC1 60 1.082 1.750 0.797 27LYS SC2 61 1.175 2.032 0.737 28SER BB 62 0.977 1.478 0.259 28SER SC1 63 0.877 1.255 0.328 29GLY BB 64 0.807 1.660 0.075 30VAL BB 65 1.006 1.887 0.072 30VAL SC1 66 0.978 2.051 0.276 31TRP BB 67 1.233 1.689 -0.049 31TRP SC1 68 1.351 1.592 0.241 31TRP SC2 69 1.412 1.709 0.407 31TRP SC3 70 1.359 1.360 0.436 31TRP SC4 71 1.413 1.478 0.618 10.00000 10.00000 10.00000