Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 6.701 5.228 3.936 1LYS SC1 2 6.966 5.310 3.785 1LYS SC2 3 7.014 5.060 3.617 1LYS SCD 4 7.013 5.049 3.614 2MET BB 5 6.546 5.165 4.212 2MET SC1 6 6.612 5.508 4.437 3LYS BB 7 6.314 4.983 4.101 3LYS SC1 8 6.116 5.222 4.067 3LYS SC2 9 6.099 5.332 4.358 3LYS SCD 10 6.095 5.339 4.350 4ALA BB 11 6.511 4.771 3.962 5VAL BB 12 6.607 4.688 4.266 5VAL SC1 13 6.817 4.835 4.332 6MET BB 14 6.328 4.612 4.394 6MET SC1 15 6.189 4.975 4.542 7ILE BB 16 6.252 4.369 4.214 7ILE SC1 17 6.078 4.465 4.003 8GLY BB 18 6.499 4.201 4.288 9ALA BB 19 6.449 4.222 4.598 10CYS BB 20 6.174 4.040 4.548 10CYS SC1 21 5.918 4.142 4.514 11PHE BB 22 6.288 3.781 4.411 11PHE SC1 23 6.344 3.899 4.105 11PHE SC2 24 6.585 3.889 4.101 11PHE SC3 25 6.525 4.030 3.938 12LEU BB 26 6.473 3.688 4.648 12LEU SC1 27 6.756 3.875 4.574 13ILE BB 28 6.247 3.643 4.854 13ILE SC1 29 6.225 3.878 5.020 14ASP0 BB 30 6.101 3.427 4.683 14ASP0 SC1 31 5.901 3.634 4.559 15PHE BB 32 6.330 3.206 4.677 15PHE SC1 33 6.555 3.342 4.479 15PHE SC2 34 6.715 3.378 4.656 15PHE SC3 35 6.785 3.500 4.483 16MET BB 36 6.350 3.153 4.991 16MET SC1 37 6.602 3.460 5.119 17PHE BB 38 6.060 3.037 5.047 17PHE SC1 39 5.883 3.313 5.016 17PHE SC2 40 5.776 3.256 4.807 17PHE SC3 41 5.749 3.476 4.834 18PHE BB 42 6.083 2.781 4.865 18PHE SC1 43 6.073 2.915 4.564 18PHE SC2 44 6.300 2.863 4.504 18PHE SC3 45 6.230 3.017 4.357 19GLU BB 46 6.323 2.642 5.018 19GLU SC1 47 6.660 2.873 4.981 19GLU SCD 48 6.661 2.872 4.992 20SER BB 49 6.182 2.600 5.295 20SER SC1 50 6.114 2.828 5.369 20SER SCD 51 6.101 2.834 5.370 20SER SCD 52 6.126 2.821 5.367 21THR BB 53 5.956 2.411 5.192 21THR SC1 54 5.800 2.583 5.063 21THR SCD 55 5.809 2.574 5.068 21THR SCD 56 5.791 2.592 5.057 22GLY BB 57 6.140 2.187 5.085 23SER BB 58 6.263 2.119 5.356 23SER SC1 59 6.372 2.323 5.444 23SER SCD 60 6.359 2.318 5.446 23SER SCD 61 6.385 2.329 5.442 24GLN BB 62 5.996 2.031 5.497 24GLN SC1 63 5.733 2.287 5.654 24GLN SCD 64 5.737 2.287 5.668 24GLN SCD 65 5.728 2.287 5.641 25GLU BB 66 5.923 1.787 5.308 25GLU SC1 67 5.845 1.920 4.930 25GLU SCD 68 5.842 1.910 4.933 26GLN BB 69 6.176 1.605 5.367 26GLN SC1 70 6.536 1.663 5.207 26GLN SCD 71 6.539 1.657 5.195 26GLN SCD 72 6.534 1.669 5.220 27LYS BB 73 6.125 1.559 5.672 27LYS SC1 74 6.314 1.778 5.803 27LYS SC2 75 6.533 1.600 5.910 27LYS SCD 76 6.530 1.610 5.906 28SER BB 77 5.852 1.414 5.636 28SER SC1 78 5.690 1.575 5.526 28SER SCD 79 5.692 1.570 5.514 28SER SCD 80 5.688 1.581 5.539 29GLY BB 81 5.955 1.176 5.466 30VAL BB 82 6.138 1.069 5.680 30VAL SC1 83 6.375 1.184 5.680 31TRP BB 84 5.887 1.035 5.882 31TRP SC1 85 5.910 1.334 6.015 31TRP SC2 86 6.080 1.431 6.098 31TRP SC3 87 5.783 1.608 6.022 31TRP SC4 88 5.961 1.720 6.099 10.00000 10.00000 10.00000