Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 8.355 2.135 5.776 1LYS SC1 2 8.307 1.939 5.534 1LYS SC2 3 8.003 1.918 5.539 1LYS SCD 4 7.992 1.919 5.543 2MET BB 5 8.480 2.193 6.068 2MET SC1 6 8.882 2.096 6.018 3LYS BB 7 8.292 2.427 6.161 3LYS SC1 8 8.486 2.650 6.056 3LYS SC2 9 8.745 2.589 6.216 3LYS SCD 10 8.746 2.596 6.208 4ALA BB 11 8.020 2.261 6.120 5VAL BB 12 8.121 2.069 6.368 5VAL SC1 13 8.257 1.866 6.269 6MET BB 14 8.162 2.288 6.594 6MET SC1 15 8.555 2.412 6.537 7ILE BB 16 7.869 2.390 6.622 7ILE SC1 17 7.841 2.628 6.459 8GLY BB 18 7.752 2.116 6.700 9ALA BB 19 7.953 2.071 6.938 10CYS BB 20 7.805 2.330 7.090 10CYS SC1 21 7.894 2.593 7.082 11PHE BB 22 7.505 2.236 7.101 11PHE SC1 23 7.417 2.288 6.785 11PHE SC2 24 7.382 2.060 6.715 11PHE SC3 25 7.407 2.180 6.528 12LEU BB 26 7.549 1.980 7.279 12LEU SC1 27 7.629 1.754 7.028 13ILE BB 28 7.655 2.128 7.529 13ILE SC1 29 7.944 2.121 7.524 14ASP0 BB 30 7.397 2.296 7.570 14ASP0 SC1 31 7.511 2.544 7.416 15PHE BB 32 7.192 2.058 7.624 15PHE SC1 33 7.164 1.919 7.328 15PHE SC2 34 7.280 1.717 7.392 15PHE SC3 35 7.270 1.716 7.169 16MET BB 36 7.330 1.938 7.886 16MET SC1 37 7.626 1.693 7.727 17PHE BB 38 7.297 2.185 8.084 17PHE SC1 39 7.520 2.390 7.954 17PHE SC2 40 7.363 2.548 7.862 17PHE SC3 41 7.559 2.588 7.761 18PHE BB 42 6.983 2.192 8.088 18PHE SC1 43 6.917 2.307 7.787 18PHE SC2 44 6.817 2.104 7.702 18PHE SC3 45 6.863 2.231 7.524 19GLU BB 46 6.936 1.904 8.212 19GLU SC1 47 7.067 1.620 7.948 19GLU SCD 48 7.073 1.615 7.956 20SER BB 49 7.077 1.950 8.489 20SER SC1 50 7.310 2.016 8.432 20SER SCD 51 7.317 2.028 8.433 20SER SCD 52 7.303 2.003 8.431 21THR BB 53 6.887 2.176 8.589 21THR SC1 54 6.967 2.381 8.439 21THR SCD 55 6.962 2.369 8.445 21THR SCD 56 6.972 2.392 8.432 22GLY BB 57 6.625 2.011 8.583 23SER BB 58 6.716 1.806 8.789 23SER SC1 59 6.921 1.697 8.704 23SER SCD 60 6.919 1.708 8.712 23SER SCD 61 6.923 1.686 8.695 24GLN BB 62 6.754 2.007 9.028 24GLN SC1 63 7.079 2.235 9.078 24GLN SCD 64 7.086 2.227 9.086 24GLN SCD 65 7.071 2.243 9.069 25GLU BB 66 6.454 2.109 9.050 25GLU SC1 67 6.350 2.311 8.711 25GLU SCD 68 6.343 2.312 8.719 26GLN BB 69 6.317 1.833 9.123 26GLN SC1 70 6.234 1.546 8.860 26GLN SCD 71 6.222 1.547 8.853 26GLN SCD 72 6.247 1.545 8.866 27LYS BB 73 6.462 1.784 9.395 27LYS SC1 74 6.696 1.588 9.310 27LYS SC2 75 6.593 1.330 9.428 27LYS SCD 76 6.599 1.335 9.420 28SER BB 77 6.351 2.040 9.536 28SER SC1 78 6.434 2.243 9.408 28SER SCD 79 6.422 2.244 9.401 28SER SCD 80 6.446 2.241 9.415 29GLY BB 81 6.050 1.969 9.514 30VAL BB 82 6.069 1.720 9.683 30VAL SC1 83 6.139 1.507 9.544 31TRP BB 84 6.185 1.894 9.931 31TRP SC1 85 6.501 1.861 9.851 31TRP SC2 86 6.611 1.685 9.805 31TRP SC3 87 6.739 2.008 9.735 31TRP SC4 88 6.856 1.827 9.674 10.00000 10.00000 10.00000