Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 2.900 0.278 5.901 1LYS SC1 2 2.819 0.551 6.036 1LYS SC2 3 2.735 0.712 5.791 2MET BB 4 3.124 0.056 5.834 2MET SC1 5 3.274 -0.042 6.209 3LYS BB 6 2.995 -0.073 5.577 3LYS SC1 7 2.850 -0.298 5.740 3LYS SC2 8 3.089 -0.440 5.879 4ALA BB 9 2.973 0.204 5.416 5VAL BB 10 3.302 0.205 5.409 5VAL SC1 11 3.391 0.338 5.619 6MET BB 12 3.356 -0.075 5.271 6MET SC1 13 3.369 -0.338 5.593 7ILE BB 14 3.222 -0.024 4.995 7ILE SC1 15 2.953 -0.131 5.004 8GLY BB 16 3.402 0.214 4.920 9ALA BB 17 3.671 0.056 4.967 10CYS BB 18 3.585 -0.134 4.707 10CYS SC1 19 3.454 -0.378 4.723 11PHE BB 20 3.550 0.079 4.477 11PHE SC1 21 3.257 0.208 4.563 11PHE SC2 22 3.326 0.430 4.625 11PHE SC3 23 3.124 0.400 4.717 12LEU BB 24 3.846 0.186 4.477 12LEU SC1 25 3.818 0.424 4.728 13ILE BB 26 3.981 -0.080 4.396 13ILE SC1 27 4.074 -0.212 4.635 14ASP BB 28 3.830 -0.103 4.120 14ASP SC1 29 3.563 -0.164 4.039 15PHE BB 30 3.941 0.160 3.984 15PHE SC1 31 3.793 0.400 4.152 15PHE SC2 32 3.996 0.476 4.258 15PHE SC3 33 3.828 0.571 4.370 16MET BB 34 4.251 0.081 3.983 16MET SC1 35 4.373 0.193 4.366 17PHE BB 36 4.244 -0.174 3.795 17PHE SC1 37 4.099 -0.389 3.998 17PHE SC2 38 3.887 -0.400 3.884 17PHE SC3 39 3.853 -0.486 4.088 18PHE BB 40 4.140 -0.030 3.535 18PHE SC1 41 3.828 0.034 3.617 18PHE SC2 42 3.850 0.273 3.627 18PHE SC3 43 3.659 0.224 3.731 19GLU BB 44 4.385 0.168 3.497 19GLU SC1 45 4.397 0.432 3.810 20SER BB 46 4.610 -0.047 3.453 20SER SC1 47 4.606 -0.188 3.658 21THR BB 48 4.491 -0.171 3.193 21THR SC1 49 4.286 -0.309 3.291 22GLY BB 50 4.497 0.086 3.021 23SER BB 51 4.800 0.119 3.032 23SER SC1 52 4.867 0.140 3.269 24GLN BB 53 4.873 -0.152 2.888 24GLN SC1 54 4.882 -0.506 3.073 25GLU BB 55 4.732 -0.095 2.610 25GLU SC1 56 4.328 -0.066 2.660 26GLN BB 57 4.903 0.157 2.522 26GLN SC1 58 4.848 0.526 2.662 27LYS BB 59 5.181 0.016 2.505 27LYS SC1 60 5.309 0.090 2.787 27LYS SC2 61 5.514 0.294 2.699 28SER BB 62 5.101 -0.186 2.281 28SER SC1 63 4.914 -0.332 2.371 29GLY BB 64 5.028 0.023 2.065 30VAL BB 65 5.305 0.141 2.047 30VAL SC1 66 5.349 0.329 2.226 31TRP BB 67 5.426 -0.150 1.968 31TRP SC1 68 5.488 -0.245 2.276 31TRP SC2 69 5.592 -0.143 2.430 31TRP SC3 70 5.394 -0.428 2.498 31TRP SC4 71 5.492 -0.319 2.667 10.00000 10.00000 10.00000