Getting the Right Output Means no Artefacts in Calculating Stuff 49 1ALA BB 1 7.360 0.716 -0.638 2LEU BB 2 7.456 0.733 -0.341 2LEU SC1 3 7.531 0.406 -0.253 3GLN BB 4 7.525 1.011 -0.323 3GLN SC1 5 7.839 1.257 -0.396 3GLN SCD 6 7.825 1.258 -0.400 3GLN SCD 7 7.852 1.256 -0.393 4ALA BB 8 7.262 1.113 -0.443 5PHE BB 9 7.120 0.975 -0.197 5PHE SC1 10 7.049 0.698 -0.342 5PHE SC2 11 6.839 0.651 -0.428 5PHE SC3 12 6.966 0.564 -0.571 6ALA BB 13 7.298 1.074 0.032 7ILE BB 14 7.211 1.365 -0.053 7ILE SC1 15 7.434 1.514 -0.230 8ALA BB 16 6.909 1.326 -0.082 9LEU BB 17 6.910 1.249 0.224 9LEU SC1 18 6.860 0.906 0.229 10SER BB 19 7.043 1.476 0.336 10SER SC1 20 7.285 1.503 0.277 10SER SCD 21 7.272 1.508 0.277 10SER SCD 22 7.298 1.497 0.276 11SER BB 23 6.861 1.671 0.229 11SER SC1 24 6.860 1.696 -0.020 11SER SCD 25 6.866 1.706 -0.028 11SER SCD 26 6.854 1.686 -0.012 12PHE BB 27 6.625 1.558 0.350 12PHE SC1 28 6.530 1.356 0.120 12PHE SC2 29 6.352 1.403 -0.022 12PHE SC3 30 6.488 1.308 -0.151 13ASP BB 31 6.722 1.573 0.620 13ASP SC1 32 6.847 1.424 0.851 13ASP SCD 33 6.845 1.434 0.846 14SER BB 34 6.770 1.855 0.617 14SER SC1 35 6.953 1.935 0.465 14SER SCD 36 6.962 1.927 0.472 14SER SCD 37 6.943 1.942 0.458 15LYS BB 38 6.501 1.929 0.548 15LYS SC1 39 6.332 1.979 0.289 15LYS SC2 40 6.063 2.062 0.142 15LYS SCD 41 6.057 2.053 0.146 16LEU BB 42 6.378 1.798 0.772 16LEU SC1 43 6.238 1.499 0.667 17ALA BB 44 6.562 1.923 0.982 18CYS BB 45 6.447 2.201 0.887 18CYS SC1 46 6.536 2.423 0.741 19GLU BB 47 6.210 2.121 0.911 19GLU SC1 48 5.853 2.005 0.702 19GLU SCD 49 5.851 2.015 0.703 9.00000 9.00000 9.00000