Getting the Right Output Means no Artefacts in Calculating Stuff 49 1ALA BB 1 8.395 6.230 3.020 2LEU BB 2 8.628 6.315 2.828 2LEU SC1 3 8.565 6.646 2.751 3GLN BB 4 8.822 6.112 2.889 3GLN SC1 5 9.120 6.039 3.153 3GLN SCD 6 9.110 6.031 3.149 3GLN SCD 7 9.131 6.047 3.157 4ALA BB 8 8.627 5.877 2.860 5PHE BB 9 8.592 5.969 2.560 5PHE SC1 10 8.330 6.148 2.604 5PHE SC2 11 8.116 6.072 2.555 5PHE SC3 12 8.085 6.183 2.730 6ALA BB 13 8.885 6.010 2.480 7ILE BB 14 8.924 5.704 2.543 7ILE SC1 15 9.056 5.651 2.831 8ALA BB 16 8.681 5.586 2.398 9LEU BB 17 8.806 5.706 2.134 9LEU SC1 18 8.606 5.977 2.056 10SER BB 19 9.070 5.594 2.145 10SER SC1 20 9.218 5.677 2.329 10SER SCD 21 9.212 5.666 2.323 10SER SCD 22 9.224 5.688 2.335 11SER BB 23 8.983 5.320 2.161 11SER SC1 24 8.863 5.255 2.371 11SER SCD 25 8.868 5.248 2.382 11SER SCD 26 8.858 5.262 2.359 12PHE BB 27 8.830 5.325 1.918 12PHE SC1 28 8.543 5.412 2.029 12PHE SC2 29 8.367 5.262 2.057 12PHE SC3 30 8.346 5.387 2.225 13ASP BB 31 9.047 5.406 1.749 13ASP SC1 32 9.183 5.634 1.605 13ASP SCD 33 9.184 5.623 1.609 14SER BB 34 9.219 5.186 1.816 14SER SC1 35 9.303 5.179 2.051 14SER SCD 36 9.309 5.191 2.050 14SER SCD 37 9.296 5.166 2.053 15LYS BB 38 9.033 4.981 1.737 15LYS SC1 39 8.803 4.812 1.867 15LYS SC2 40 8.581 4.585 1.854 15LYS SCD 41 8.574 4.590 1.847 16LEU BB 42 9.002 5.073 1.467 16LEU SC1 43 8.702 5.244 1.437 17ALA BB 44 9.303 5.090 1.409 18CYS BB 45 9.310 4.780 1.464 18CYS SC1 46 9.403 4.607 1.664 19GLU BB 47 9.120 4.739 1.304 19GLU SC1 48 8.705 4.630 1.268 19GLU SCD 49 8.710 4.620 1.268 9.00000 9.00000 9.00000