Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 5.091 4.803 0.854 1LYS SC1 2 5.133 4.919 0.564 1LYS SC2 3 5.376 5.097 0.609 1LYS SCD 4 5.384 5.103 0.615 2MET BB 5 4.909 4.772 1.118 2MET SC1 6 4.551 4.623 0.967 3LYS BB 7 5.132 4.710 1.330 3LYS SC1 8 5.104 4.399 1.298 3LYS SC2 9 4.805 4.356 1.373 3LYS SCD 10 4.810 4.347 1.368 4ALA BB 11 5.302 4.975 1.269 5VAL BB 12 5.049 5.144 1.393 5VAL SC1 13 4.884 5.208 1.197 6MET BB 14 5.028 5.011 1.680 6MET SC1 15 4.774 4.687 1.616 7ILE BB 16 5.306 5.092 1.796 7ILE SC1 17 5.488 4.871 1.755 8GLY BB 18 5.259 5.395 1.771 9ALA BB 19 4.988 5.390 1.931 10CYS BB 20 5.168 5.304 2.199 10CYS SC1 21 5.209 5.044 2.287 11PHE BB 22 5.374 5.541 2.220 11PHE SC1 23 5.580 5.459 1.973 11PHE SC2 24 5.537 5.640 1.821 11PHE SC3 25 5.634 5.479 1.700 12LEU BB 26 5.164 5.772 2.264 12LEU SC1 27 5.090 5.842 1.932 13ILE BB 28 5.051 5.668 2.532 13ILE SC1 29 4.809 5.518 2.476 14ASP0 BB 30 5.323 5.681 2.681 14ASP0 SC1 31 5.388 5.379 2.628 15PHE BB 32 5.373 5.996 2.663 15PHE SC1 33 5.442 6.039 2.345 15PHE SC2 34 5.237 6.157 2.298 15PHE SC3 35 5.323 6.102 2.100 16MET BB 36 5.115 6.091 2.825 16MET SC1 37 4.819 6.087 2.531 17PHE BB 38 5.177 5.966 3.110 17PHE SC1 39 5.126 5.647 3.043 17PHE SC2 40 5.356 5.578 3.052 17PHE SC3 41 5.246 5.414 2.948 18PHE BB 42 5.440 6.128 3.168 18PHE SC1 43 5.651 5.987 2.958 18PHE SC2 44 5.677 6.178 2.814 18PHE SC3 45 5.756 6.003 2.700 19GLU BB 46 5.313 6.418 3.165 19GLU SC1 47 5.175 6.503 2.789 19GLU SCD 48 5.166 6.506 2.793 20SER BB 49 5.117 6.384 3.409 20SER SC1 50 4.971 6.192 3.347 20SER SCD 51 4.970 6.179 3.352 20SER SCD 52 4.972 6.205 3.342 21THR BB 53 5.336 6.331 3.624 21THR SC1 54 5.410 6.083 3.563 21THR SCD 55 5.407 6.097 3.565 21THR SCD 56 5.413 6.069 3.561 22GLY BB 57 5.486 6.600 3.593 23SER BB 58 5.249 6.774 3.676 23SER SC1 59 5.062 6.729 3.520 23SER SCD 60 5.066 6.724 3.533 23SER SCD 61 5.059 6.734 3.508 24GLN BB 62 5.219 6.659 3.968 24GLN SC1 63 5.029 6.318 4.054 24GLN SCD 64 5.016 6.323 4.057 24GLN SCD 65 5.042 6.313 4.051 25GLU BB 66 5.504 6.742 4.079 25GLU SC1 67 5.798 6.541 3.878 25GLU SCD 68 5.801 6.546 3.887 26GLN BB 69 5.476 7.056 4.051 26GLN SC1 70 5.514 7.257 3.709 26GLN SCD 71 5.527 7.261 3.706 26GLN SCD 72 5.501 7.253 3.713 27LYS BB 73 5.237 7.094 4.250 27LYS SC1 74 4.989 7.104 4.053 27LYS SC2 75 4.923 7.399 4.067 27LYS SCD 76 4.923 7.389 4.061 28SER BB 77 5.389 6.988 4.501 28SER SC1 78 5.452 6.746 4.458 28SER SCD 79 5.465 6.749 4.455 28SER SCD 80 5.439 6.743 4.462 29GLY BB 81 5.617 7.197 4.502 30VAL BB 82 5.435 7.434 4.544 30VAL SC1 83 5.335 7.529 4.320 31TRP BB 84 5.325 7.303 4.820 31TRP SC1 85 5.076 7.139 4.683 31TRP SC2 86 4.926 7.209 4.550 31TRP SC3 87 4.982 6.863 4.601 31TRP SC4 88 4.829 6.929 4.452 10.00000 10.00000 10.00000